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Sample records for theory based multireference

  1. Recent advances in multireference-based perturbation theory

    International Nuclear Information System (INIS)

    Nakano, Haruyuki; Hirao, Kimihiko

    2003-01-01

    Accurate ab initio computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a completely new area, and has had a profound impact on the potential of theoretical chemistry. Multireference-based perturbation theory (MRPT) is an extension of the closed-shell single reference Moeller-Plesset method, and has been successfully applied to many chemical and spectroscopic problems. MRPT has established itself as an efficient technique for treating nondynamical and dynamical correlations. Usually, a complete active space self-consistent field (CASSCF) wave function is chosen as a reference function of MRPT. However, CASSCF often generates too many configurations, and the size of the active space can outgrow the capacity of the present technology. Many attempts have been proposed to reduce the dimension of CASSCF and to widen the range of applications of MRPT. This review focuses on our recent development in MRPT

  2. 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...

  3. Parallel implementation of multireference coupled-cluster theories based on the reference-level parallelism

    Energy Technology Data Exchange (ETDEWEB)

    Brabec, Jiri; Pittner, Jiri; van Dam, Hubertus JJ; Apra, Edoardo; Kowalski, Karol

    2012-02-01

    A novel algorithm for implementing general type of multireference coupled-cluster (MRCC) theory based on the Jeziorski-Monkhorst exponential Ansatz [B. Jeziorski, H.J. Monkhorst, Phys. Rev. A 24, 1668 (1981)] is introduced. The proposed algorithm utilizes processor groups to calculate the equations for the MRCC amplitudes. In the basic formulation each processor group constructs the equations related to a specific subset of references. By flexible choice of processor groups and subset of reference-specific sufficiency conditions designated to a given group one can assure optimum utilization of available computing resources. The performance of this algorithm is illustrated on the examples of the Brillouin-Wigner and Mukherjee MRCC methods with singles and doubles (BW-MRCCSD and Mk-MRCCSD). A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel implementation of the BW-MRCCSD formalism [J.Brabec, H.J.J. van Dam, K. Kowalski, J. Pittner, Chem. Phys. Lett. 514, 347 (2011)].

  4. Driven similarity renormalization group: Third-order multireference perturbation theory.

    Science.gov (United States)

    Li, Chenyang; Evangelista, Francesco A

    2017-03-28

    A third-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT3) approach is presented. The DSRG-MRPT3 method has several appealing features: (a) it is intruder free, (b) it is size consistent, (c) it leads to a non-iterative algorithm with O(N 6 ) scaling, and (d) it includes reference relaxation effects. The DSRG-MRPT3 scheme is benchmarked on the potential energy curves of F 2 , H 2 O 2 , C 2 H 6 , and N 2 along the F-F, O-O, C-C, and N-N bond dissociation coordinates, respectively. The nonparallelism errors of DSRG-MRPT3 are consistent with those of complete active space third-order perturbation theory and multireference configuration interaction with singles and doubles and show significant improvements over those obtained from DSRG second-order multireference perturbation theory. Our efficient implementation of the DSRG-MRPT3 based on factorized electron repulsion integrals enables studies of medium-sized open-shell organic compounds. This point is demonstrated with computations of the singlet-triplet splitting (Δ ST =E T -E S ) of 9,10-anthracyne. At the DSRG-MRPT3 level of theory, our best estimate of the adiabatic Δ ST is 3.9 kcal mol -1 , a value that is within 0.1 kcal mol -1 from multireference coupled cluster results.

  5. Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization.

    Science.gov (United States)

    Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

    2018-03-28

    The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

  6. Communication: Density functional theory model for multi-reference systems based on the exact-exchange hole normalization

    Science.gov (United States)

    Laqua, Henryk; Kussmann, Jörg; Ochsenfeld, Christian

    2018-03-01

    The correct description of multi-reference electronic ground states within Kohn-Sham density functional theory (DFT) requires an ensemble-state representation, employing fractionally occupied orbitals. However, the use of fractional orbital occupation leads to non-normalized exact-exchange holes, resulting in large fractional-spin errors for conventional approximative density functionals. In this communication, we present a simple approach to directly include the exact-exchange-hole normalization into DFT. Compared to conventional functionals, our model strongly improves the description for multi-reference systems, while preserving the accuracy in the single-reference case. We analyze the performance of our proposed method at the example of spin-averaged atoms and spin-restricted bond dissociation energy surfaces.

  7. The multi-reference retaining the excitation degree perturbation theory: A size-consistent, unitary invariant, and rapidly convergent wavefunction based ab initio approach

    International Nuclear Information System (INIS)

    Fink, Reinhold F.

    2009-01-01

    The retaining the excitation degree (RE) partitioning [R.F. Fink, Chem. Phys. Lett. 428 (2006) 461(20 September)] is reformulated and applied to multi-reference cases with complete active space (CAS) reference wave functions. The generalised van Vleck perturbation theory is employed to set up the perturbation equations. It is demonstrated that this leads to a consistent and well defined theory which fulfils all important criteria of a generally applicable ab initio method: The theory is proven numerically and analytically to be size-consistent and invariant with respect to unitary orbital transformations within the inactive, active and virtual orbital spaces. In contrast to most previously proposed multi-reference perturbation theories the necessary condition for a proper perturbation theory to fulfil the zeroth order perturbation equation is exactly satisfied with the RE partitioning itself without additional projectors on configurational spaces. The theory is applied to several excited states of the benchmark systems CH 2 , SiH 2 , and NH 2 , as well as to the lowest states of the carbon, nitrogen and oxygen atoms. In all cases comparisons are made with full configuration interaction results. The multi-reference (MR)-RE method is shown to provide very rapidly converging perturbation series. Energy differences between states of similar configurations converge even faster

  8. Analytically continued Fock space multi-reference coupled-cluster theory: Application to the shape resonance

    International Nuclear Information System (INIS)

    Pal, Sourav; Sajeev, Y.; Vaval, Nayana

    2006-01-01

    The Fock space multi-reference coupled-cluster (FSMRCC) method is used for the study of the shape resonance energy and width in an electron-atom/molecule collision. The procedure is based upon combining a complex absorbing potential (CAP) with FSMRCC theory. Accurate resonance parameters are obtained by solving a small non-Hermitian eigen-value problem. We study the shape resonances in e - -C 2 H 4 and e - -Mg

  9. Transition state theory thermal rate constants and RRKM-based branching ratios for the N((2)D) + CH(4) reaction based on multi-state and multi-reference ab initio calculations of interest for the Titan's chemistry.

    Science.gov (United States)

    Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Scribano, Yohann; Bussery-Honvault, Béatrice

    2012-10-30

    Multireference single and double configuration interaction (MRCI) calculations including Davidson (+Q) or Pople (+P) corrections have been conducted in this work for the reactants, products, and extrema of the doublet ground state potential energy surface involved in the N((2)D) + CH(4) reaction. Such highly correlated ab initio calculations are then compared with previous PMP4, CCSD(T), W1, and DFT/B3LYP studies. Large relative differences are observed in particular for the transition state in the entrance channel resolving the disagreement between previous ab initio calculations. We confirm the existence of a small but positive potential barrier (3.86 ± 0.84 kJ mol(-1) (MR-AQCC) and 3.89 kJ mol(-1) (MRCI+P)) in the entrance channel of the title reaction. The correlation is seen to change significantly the energetic position of the two minima and five saddle points of this system together with the dissociation channels but not their relative order. The influence of the electronic correlation into the energetic of the system is clearly demonstrated by the thermal rate constant evaluation and it temperature dependance by means of the transition state theory. Indeed, only MRCI values are able to reproduce the experimental rate constant of the title reaction and its behavior with temperature. Similarly, product branching ratios, evaluated by means of unimolecular RRKM theory, confirm the NH production of Umemoto et al., whereas previous works based on less accurate ab initio calculations failed. We confirm the previous findings that the N((2)D) + CH(4) reaction proceeds via an insertion-dissociation mechanism and that the dominant product channels are CH(2)NH + H and CH(3) + NH. Copyright © 2012 Wiley Periodicals, Inc.

  10. Multireference second order perturbation theory with a simplified treatment of dynamical correlation.

    Science.gov (United States)

    Xu, Enhua; Zhao, Dongbo; Li, Shuhua

    2015-10-13

    A multireference second order perturbation theory based on a complete active space configuration interaction (CASCI) function or density matrix renormalized group (DMRG) function has been proposed. This method may be considered as an approximation to the CAS/A approach with the same reference, in which the dynamical correlation is simplified with blocked correlated second order perturbation theory based on the generalized valence bond (GVB) reference (GVB-BCPT2). This method, denoted as CASCI-BCPT2/GVB or DMRG-BCPT2/GVB, is size consistent and has a similar computational cost as the conventional second order perturbation theory (MP2). We have applied it to investigate a number of problems of chemical interest. These problems include bond-breaking potential energy surfaces in four molecules, the spectroscopic constants of six diatomic molecules, the reaction barrier for the automerization of cyclobutadiene, and the energy difference between the monocyclic and bicyclic forms of 2,6-pyridyne. Our test applications demonstrate that CASCI-BCPT2/GVB can provide comparable results with CASPT2 (second order perturbation theory based on the complete active space self-consistent-field wave function) for systems under study. Furthermore, the DMRG-BCPT2/GVB method is applicable to treat strongly correlated systems with large active spaces, which are beyond the capability of CASPT2.

  11. A quasiparticle-based multi-reference coupled-cluster method.

    Science.gov (United States)

    Rolik, Zoltán; Kállay, Mihály

    2014-10-07

    The purpose of this paper is to introduce a quasiparticle-based multi-reference coupled-cluster (MRCC) approach. The quasiparticles are introduced via a unitary transformation which allows us to represent a complete active space reference function and other elements of an orthonormal multi-reference (MR) basis in a determinant-like form. The quasiparticle creation and annihilation operators satisfy the fermion anti-commutation relations. On the basis of these quasiparticles, a generalization of the normal-ordered operator products for the MR case can be introduced as an alternative to the approach of Mukherjee and Kutzelnigg [Recent Prog. Many-Body Theor. 4, 127 (1995); Mukherjee and Kutzelnigg, J. Chem. Phys. 107, 432 (1997)]. Based on the new normal ordering any quasiparticle-based theory can be formulated using the well-known diagram techniques. Beyond the general quasiparticle framework we also present a possible realization of the unitary transformation. The suggested transformation has an exponential form where the parameters, holding exclusively active indices, are defined in a form similar to the wave operator of the unitary coupled-cluster approach. The definition of our quasiparticle-based MRCC approach strictly follows the form of the single-reference coupled-cluster method and retains several of its beneficial properties. Test results for small systems are presented using a pilot implementation of the new approach and compared to those obtained by other MR methods.

  12. Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory.

    Science.gov (United States)

    Kurashige, Yuki; Saitow, Masaaki; Chalupský, Jakub; Yanai, Takeshi

    2014-06-28

    The O-O (oxygen-oxygen) bond formation is widely recognized as a key step of the catalytic reaction of dioxygen evolution from water. Recently, the water oxidation catalyzed by potassium ferrate (K2FeO4) was investigated on the basis of experimental kinetic isotope effect analysis assisted by density functional calculations, revealing the intramolecular oxo-coupling mechanism within a di-iron(vi) intermediate, or diferrate [Sarma et al., J. Am. Chem. Soc., 2012, 134, 15371]. Here, we report a detailed examination of this diferrate-mediated O-O bond formation using scalable multireference electronic structure theory. High-dimensional correlated many-electron wave functions beyond the one-electron picture were computed using the ab initio density matrix renormalization group (DMRG) method along the O-O bond formation pathway. The necessity of using large active space arises from the description of complex electronic interactions and varying redox states both associated with two-center antiferromagnetic multivalent iron-oxo coupling. Dynamic correlation effects on top of the active space DMRG wave functions were additively accounted for by complete active space second-order perturbation (CASPT2) and multireference configuration interaction (MRCI) based methods, which were recently introduced by our group. These multireference methods were capable of handling the double shell effects in the extended active space treatment. The calculations with an active space of 36 electrons in 32 orbitals, which is far over conventional limitation, provide a quantitatively reliable prediction of potential energy profiles and confirmed the viability of the direct oxo coupling. The bonding nature of Fe-O and dual bonding character of O-O are discussed using natural orbitals.

  13. State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications

    Directory of Open Access Journals (Sweden)

    Debashis Mukherjee

    2002-06-01

    Full Text Available Abstract: We present in this paper two new versions of Rayleigh-Schr¨odinger (RS and the Brillouin-Wigner (BW state-specific multi-reference perturbative theories (SSMRPT which stem from our state-specific multi-reference coupled-cluster formalism (SS-MRCC, developed with a complete active space (CAS. They are manifestly sizeextensive and are designed to avoid intruders. The combining coefficients cμ for the model functions φμ are completely relaxed and are obtained by diagonalizing an effective operator in the model space, one root of which is the target eigenvalue of interest. By invoking suitable partitioning of the hamiltonian, very convenient perturbative versions of the formalism in both the RS and the BW forms are developed for the second order energy. The unperturbed hamiltonians for these theories can be chosen to be of both Mφller-Plesset (MP and Epstein-Nesbet (EN type. However, we choose the corresponding Fock operator fμ for each model function φμ, whose diagonal elements are used to define the unperturbed hamiltonian in the MP partition. In the EN partition, we additionally include all the diagonal direct and exchange ladders. Our SS-MRPT thus utilizes a multi-partitioning strategy. Illustrative numerical applications are presented for potential energy surfaces (PES of the ground (1Σ+ and the first delta (1Δ states of CH+ which possess pronounced multi-reference character. Comparison of the results with the corresponding full CI values indicates the efficacy of our formalisms.

  14. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yang; Sivalingam, Kantharuban; Neese, Frank, E-mail: Frank.Neese@cec.mpg.de [Max Planck Institut für Chemische Energiekonversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr (Germany); Valeev, Edward F. [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24014 (United States)

    2016-03-07

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling “partially contracted” NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient “electron pair prescreening” that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed

  15. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory.

    Science.gov (United States)

    Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

    2010-01-14

    We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu(2)O(2)](2+) core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu(2)O(2)](2+).

  16. Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

    Science.gov (United States)

    Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

    2013-07-28

    We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.

  17. A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments

    Science.gov (United States)

    Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis

    2012-01-01

    We present in this paper a comprehensive formulation of a spin-adapted size-extensive state-specific multi-reference second-order perturbation theory (SA-SSMRPT2) as a tool for applications to molecular states of arbitrary complexity and generality. The perturbative theory emerges in the development as a result of a physically appealing quasi-linearization of a rigorously size-extensive state-specific multi-reference coupled cluster (SSMRCC) formalism [U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. 110, 6171 (1999), 10.1063/1.478523]. The formulation is intruder-free as long as the state-energy is energetically well-separated from the virtual functions. SA-SSMRPT2 works with a complete active space (CAS), and treats each of the model space functions on the same footing. This thus has the twin advantages of being capable of handling varying degrees of quasi-degeneracy and of ensuring size-extensivity. This strategy is attractive in terms of the applicability to bigger systems. A very desirable property of the parent SSMRCC theory is the explicit maintenance of size-extensivity under a variety of approximations of the working equations. We show how to generate both the Rayleigh-Schrödinger (RS) and the Brillouin-Wigner (BW) versions of SA-SSMRPT2. Unlike the traditional naive formulations, both the RS and the BW variants are manifestly size-extensive and both share the avoidance of intruders in the same manner as the parent SSMRCC. We discuss the various features of the RS as well as the BW version using several partitioning strategies of the hamiltonian. Unlike the other CAS based MRPTs, the SA-SSMRPT2 is intrinsically flexible in the sense that it is constructed in a manner that it can relax the coefficients of the reference function, or keep the coefficients frozen if we so desire. We delineate the issues pertaining to the spin-adaptation of the working equations of the SA-SSMRPT2, starting from SSMRCC, which would allow us to incorporate essentially

  18. Multireference Density Functional Theory with Generalized Auxiliary Systems for Ground and Excited States.

    Science.gov (United States)

    Chen, Zehua; Zhang, Du; Jin, Ye; Yang, Yang; Su, Neil Qiang; Yang, Weitao

    2017-09-21

    To describe static correlation, we develop a new approach to density functional theory (DFT), which uses a generalized auxiliary system that is of a different symmetry, such as particle number or spin, from that of the physical system. The total energy of the physical system consists of two parts: the energy of the auxiliary system, which is determined with a chosen density functional approximation (DFA), and the excitation energy from an approximate linear response theory that restores the symmetry to that of the physical system, thus rigorously leading to a multideterminant description of the physical system. The electron density of the physical system is different from that of the auxiliary system and is uniquely determined from the functional derivative of the total energy with respect to the external potential. Our energy functional is thus an implicit functional of the physical system density, but an explicit functional of the auxiliary system density. We show that the total energy minimum and stationary states, describing the ground and excited states of the physical system, can be obtained by a self-consistent optimization with respect to the explicit variable, the generalized Kohn-Sham noninteracting density matrix. We have developed the generalized optimized effective potential method for the self-consistent optimization. Among options of the auxiliary system and the associated linear response theory, reformulated versions of the particle-particle random phase approximation (pp-RPA) and the spin-flip time-dependent density functional theory (SF-TDDFT) are selected for illustration of principle. Numerical results show that our multireference DFT successfully describes static correlation in bond dissociation and double bond rotation.

  19. Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications.

    Science.gov (United States)

    Sen, Avijit; Sen, Sangita; Samanta, Pradipta Kumar; Mukherjee, Debashis

    2015-04-05

    We present here a comprehensive account of the formulation and pilot applications of the second-order perturbative analogue of the recently proposed unitary group adapted state-specific multireference coupled cluster theory (UGA-SSMRCC), which we call as the UGA-SSMRPT2. We also discuss the essential similarities and differences between the UGA-SSMRPT2 and the allied SA-SSMRPT2. Our theory, like its parent UGA-SSMRCC formalism, is size-extensive. However, because of the noninvariance of the theory with respect to the transformation among the active orbitals, it requires the use of localized orbitals to ensure size-consistency. We have demonstrated the performance of the formalism with a set of pilot applications, exploring (a) the accuracy of the potential energy surface (PES) of a set of small prototypical difficult molecules in their various low-lying states, using natural, pseudocanonical and localized orbitals and compared the respective nonparallelity errors (NPE) and the mean average deviations (MAD) vis-a-vis the full CI results with the same basis; (b) the efficacy of localized active orbitals to ensure and demonstrate manifest size-consistency with respect to fragmentation. We found that natural orbitals lead to the best overall PES, as evidenced by the NPE and MAD values. The MRMP2 results for individual states and of the MCQDPT2 for multiple states displaying avoided curve crossings are uniformly poorer as compared with the UGA-SSMRPT2 results. The striking aspect of the size-consistency check is the complete insensitivity of the sum of fragment energies with given fragment spin-multiplicities, which are obtained as the asymptotic limit of super-molecules with different coupled spins. © 2015 Wiley Periodicals, Inc.

  20. Communication: spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: a measure for the coupling contribution.

    Science.gov (United States)

    Mück, Leonie Anna; Gauss, Jürgen

    2012-03-21

    We propose a generally applicable scheme for the computation of spin-orbit (SO) splittings in degenerate open-shell systems using multireference coupled-cluster (MRCC) theory. As a specific method, Mukherjee's version of MRCC (Mk-MRCC) in conjunction with an effective mean-field SO operator is adapted for this purpose. An expression for the SO splittings is derived and implemented using Mk-MRCC analytic derivative techniques. The computed SO splittings are found to be in satisfactory agreement with experimental data. Due to the symmetry properties of the SO operator, SO splittings can be considered a quality measure for the coupling between reference determinants in Jeziorski-Monkhorst based MRCC methods. We thus provide numerical insights into the coupling problem of Mk-MRCC theory. © 2012 American Institute of Physics

  1. To Multireference or not to Multireference: That is the Question?

    Directory of Open Access Journals (Sweden)

    Rodney J. Bartlett

    2002-06-01

    Full Text Available Abstract: I present a personal viewpoint on multi-reference coupled-cluster theory, its pros and cons. I also suggest some criteria that should be satisfied by multi-reference CC, not the least of which is to develop a tool that will be (almost! as easy to apply as today’s powerful array of single reference coupled-cluster methods. Some approaches like the equation of motion CC method offers a multi-reference description of some target states, while being entirely single reference in execution. Perhaps it offers a model for further generalization to a wider array of multi-reference problems.

  2. Are both symmetric and buckled dimers on Si(100) minima? Density functional and multireference perturbation theory calculations

    International Nuclear Information System (INIS)

    Jung, Yousung; Shao, Yihan; Gordon, Mark S.; Doren, Douglas J.; Head-Gordon, Martin

    2003-01-01

    We report a spin-unrestricted density functional theory (DFT) solution at the symmetric dimer structure for cluster models of Si(100). With this solution, it is shown that the symmetric structure is a minimum on the DFT potential energy surface, although higher in energy than the buckled structure. In restricted DFT calculations the symmetric structure is a saddle point connecting the two buckled minima. To further assess the effects of electron correlation on the relative energies of symmetric versus buckled dimers on Si(100), multireference second order perturbation theory (MRMP2) calculations are performed on these DFT optimized minima. The symmetric structure is predicted to be lower in energy than the buckled structure via MRMP2, while the reverse order is found by DFT. The implications for recent experimental interpretations are discussed

  3. Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

    Science.gov (United States)

    Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

    2008-05-07

    In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5(') (4H,4H('))-spirobi[ciclopenta[c]pyrrole] 2,2('),6,6(') tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital

  4. State-selective multireference coupled-cluster theory: In pursuit of property calculation

    International Nuclear Information System (INIS)

    Ghose, K.B.; Piecuch, P.; Pal, S.; Adamowicz, L.

    1996-01-01

    In this work, we examine the efficiency of the recently developed [P. Piecuch et al., J. Chem. Phys. 99, 6732 (1993)] state-selective (SS) multi-reference (MR) coupled-cluster (CC) method for calculation of molecular properties. In our earlier papers, we demonstrated that the SSMRCC method with inclusion of single, double, and internal and semi-internal triple excitations [SSCCSD(T) approach] is capable of providing an accurate description of the ground-state potential energy surfaces. In this paper, we present the dipole moment and polarizability values of the HF molecule at equilibrium and stretched geometries calculated using finite field technique and SSCCSD(T) ansatz. The calculations use double zeta quality basis sets with and without polarization functions. Molecular orbital basis sets include both relaxed and nonrelaxed orbitals. copyright 1996 American Institute of Physics

  5. Extended multi-configuration quasi-degenerate perturbation theory: the new approach to multi-state multi-reference perturbation theory.

    Science.gov (United States)

    Granovsky, Alexander A

    2011-06-07

    The distinctive desirable features, both mathematically and physically meaningful, for all partially contracted multi-state multi-reference perturbation theories (MS-MR-PT) are explicitly formulated. The original approach to MS-MR-PT theory, called extended multi-configuration quasi-degenerate perturbation theory (XMCQDPT), having most, if not all, of the desirable properties is introduced. The new method is applied at the second order of perturbation theory (XMCQDPT2) to the 1(1)A(')-2(1)A(') conical intersection in allene molecule, the avoided crossing in LiF molecule, and the 1(1)A(1) to 2(1)A(1) electronic transition in cis-1,3-butadiene. The new theory has several advantages compared to those of well-established approaches, such as second order multi-configuration quasi-degenerate perturbation theory and multi-state-second order complete active space perturbation theory. The analysis of the prevalent approaches to the MS-MR-PT theory performed within the framework of the XMCQDPT theory unveils the origin of their common inherent problems. We describe the efficient implementation strategy that makes XMCQDPT2 an especially useful general-purpose tool in the high-level modeling of small to large molecular systems. © 2011 American Institute of Physics

  6. Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: theory and test calculations of second order approximation.

    Science.gov (United States)

    Chen, Zhenhua; Hoffmann, Mark R

    2012-07-07

    A unitary wave operator, exp (G), G(+) = -G, is considered to transform a multiconfigurational reference wave function Φ to the potentially exact, within basis set limit, wave function Ψ = exp (G)Φ. To obtain a useful approximation, the Hausdorff expansion of the similarity transformed effective Hamiltonian, exp (-G)Hexp (G), is truncated at second order and the excitation manifold is limited; an additional separate perturbation approximation can also be made. In the perturbation approximation, which we refer to as multireference unitary second-order perturbation theory (MRUPT2), the Hamiltonian operator in the highest order commutator is approximated by a Mo̸ller-Plesset-type one-body zero-order Hamiltonian. If a complete active space self-consistent field wave function is used as reference, then the energy is invariant under orbital rotations within the inactive, active, and virtual orbital subspaces for both the second-order unitary coupled cluster method and its perturbative approximation. Furthermore, the redundancies of the excitation operators are addressed in a novel way, which is potentially more efficient compared to the usual full diagonalization of the metric of the excited configurations. Despite the loss of rigorous size-extensivity possibly due to the use of a variational approach rather than a projective one in the solution of the amplitudes, test calculations show that the size-extensivity errors are very small. Compared to other internally contracted multireference perturbation theories, MRUPT2 only needs reduced density matrices up to three-body even with a non-complete active space reference wave function when two-body excitations within the active orbital subspace are involved in the wave operator, exp (G). Both the coupled cluster and perturbation theory variants are amenable to large, incomplete model spaces. Applications to some widely studied model systems that can be problematic because of geometry dependent quasidegeneracy, H4, P4

  7. Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.

    Science.gov (United States)

    Hoffmann, Mark R; Helgaker, Trygve

    2015-03-05

    A new variation of the second-order generalized van Vleck perturbation theory (GVVPT2) for molecular electronic structure is suggested. In contrast to the established procedure, in which CASSCF or MCSCF orbitals are first obtained and subsequently used to define a many-electron model (or reference) space, the use of an orbital space obtained from the local density approximation (LDA) variant of density functional theory is considered. Through a final, noniterative diagonalization of an average Fock matrix within orbital subspaces, quasicanonical orbitals that are otherwise indistinguishable from quasicanonical orbitals obtained from a CASSCF or MCSCF calculation are obtained. Consequently, all advantages of the GVVPT2 method are retained, including use of macroconfigurations to define incomplete active spaces and rigorous avoidance of intruder states. The suggested variant is vetted on three well-known model problems: the symmetric stretching of the O-H bonds in water, the dissociation of N2, and the stretching of ground and excited states C2 to more than twice the equilibrium bond length of the ground state. It is observed that the LDA-based GVVPT2 calculations yield good results, of comparable quality to conventional CASSCF-based calculations. This is true even for the C2 model problem, in which the orbital space for each state was defined by the LDA orbitals. These results suggest that GVVPT2 can be applied to much larger problems than previously accessible.

  8. 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.

  9. Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

    Science.gov (United States)

    Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

    2015-08-11

    The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

  10. Shape of Multireference, Equation-of-Motion Coupled-Cluster, and Density Functional Theory Potential Energy Surfaces at a Conical Intersection.

    Science.gov (United States)

    Gozem, Samer; Melaccio, Federico; Valentini, Alessio; Filatov, Michael; Huix-Rotllant, Miquel; Ferré, Nicolas; Frutos, Luis Manuel; Angeli, Celestino; Krylov, Anna I; Granovsky, Alexander A; Lindh, Roland; Olivucci, Massimo

    2014-08-12

    We report and characterize ground-state and excited-state potential energy profiles using a variety of electronic structure methods along a loop lying on the branching plane associated with a conical intersection (CI) of a reduced retinal model, the penta-2,4-dieniminium cation (PSB3). Whereas the performance of the equation-of-motion coupled-cluster, density functional theory, and multireference methods had been tested along the excited- and ground-state paths of PSB3 in our earlier work, the ability of these methods to correctly describe the potential energy surface shape along a CI branching plane has not yet been investigated. This is the focus of the present contribution. We find, in agreement with earlier studies by others, that standard time-dependent DFT (TDDFT) does not yield the correct two-dimensional (i.e., conical) crossing along the branching plane but rather a one-dimensional (i.e., linear) crossing along the same plane. The same type of behavior is found for SS-CASPT2(IPEA=0), SS-CASPT2(IPEA=0.25), spin-projected SF-TDDFT, EOM-SF-CCSD, and, finally, for the reference MRCISD+Q method. In contrast, we found that MRCISD, CASSCF, MS-CASPT2(IPEA=0), MS-CASPT2(IPEA=0.25), XMCQDPT2, QD-NEVPT2, non-spin-projected SF-TDDFT, and SI-SA-REKS yield the expected conical crossing. To assess the effect of the different crossing topologies (i.e., linear or conical) on the PSB3 photoisomerization efficiency, we discuss the results of 100 semiclassical trajectories computed by CASSCF and SS-CASPT2(IPEA=0.25) for a PSB3 derivative. We show that for the same initial conditions, the two methods yield similar dynamics leading to isomerization quantum yields that differ by only a few percent.

  11. Assigning the Cerium Oxidation State for CH2CeF2 and OCeF2 Based on Multireference Wave Function Analysis.

    Science.gov (United States)

    Mooßen, Oliver; Dolg, Michael

    2016-06-09

    The geometric and electronic structure of the recently experimentally studied molecules ZCeF2 (Z = CH2, O) was investigated by density functional theory (DFT) and wave function-based ab initio methods. Special attention was paid to the Ce-Z metal-ligand bonding, especially to the nature of the interaction between the Ce 4f and the Z 2p orbitals and the possible multiconfigurational character arising from it, as well as to the assignment of an oxidation state of Ce reflecting the electronic structure. Complete active space self-consistent field (CASSCF) calculations were performed, followed by orbital rotations in the active orbital space. The methylene compound CH2CeF2 has an open-shell singlet ground state, which is characterized by a two-configurational wave function in the basis of the strongly mixed natural CASSCF orbitals. The system can also be described in a very compact way by the dominant Ce 4f(1) C 2p(1) configuration, if nearly pure Ce 4f and C 2p orbitals are used. In the basis of these localized orbitals, the molecule is almost monoconfigurational and should be best described as a Ce(III) system. The singlet ground state of the oxygen OCeF2 complex is of closed-shell character when a monoconfigurational wave function with very strongly mixed Ce 4f and O 2p CASSCF natural orbitals is used for the description. The transformation to orbitals localized on the cerium and oxygen atoms leads to a multiconfigurational wave function and reveals characteristics of a mixed valent Ce(IV)/Ce(III) compound. Additionally, the interactions of the localized active orbitals were analyzed by evaluating the expectation values of the charge fluctuation operator and the local spin operator. The Ce 4f and C 2p orbital interaction of the CH2CeF2 compound is weakly covalent and resembles the interaction of the H 1s orbitals in a stretched hydrogen dimer. In contrast, the interaction of the localized active orbitals for OCeF2 shows ionic character. Calculated vibrational Ce

  12. Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis

    NARCIS (Netherlands)

    Helmich-Paris, B.; Knecht, Stefan

    2017-01-01

    In the present article, we show how to formulate the partially contracted n-electron valence second-order perturbation theory (NEVPT2) energies in the atomic and active molecular orbital basis by employing the Laplace transformation of orbital-energy denominators (OEDs). As atomic-orbital (AO) basis

  13. Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

    Science.gov (United States)

    Faraji, Shirin; Matsika, Spiridoula; Krylov, Anna I.

    2018-01-01

    We report an implementation of non-adiabatic coupling (NAC) forces within the equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) framework via the summed-state approach. Using illustrative examples, we compare NAC forces computed with EOM-CCSD and multi-reference (MR) wave functions (for selected cases, we also consider configuration interaction singles). In addition to the magnitude of the NAC vectors, we analyze their direction, which is important for the calculations of the rate of non-adiabatic transitions. Our benchmark set comprises three doublet radical-cations (hexatriene, cyclohexadiene, and uracil), neutral uracil, and sodium-doped ammonia clusters. When the characters of the states agree among different methods, we observe good agreement between the respective NAC vectors, both in the Franck-Condon region and away. In the cases of large discrepancies between the methods, the disagreement can be attributed to the difference in the states' character, which, in some cases, is very sensitive to electron correlation, both within single-reference and multi-reference frameworks. The numeric results confirm that the accuracy of NAC vectors depends critically on the quality of the underlying wave functions. Within their domain of applicability, EOM-CC methods provide a viable alternative to MR approaches.

  14. A Rapid Identification Method for Calamine Using Near-Infrared Spectroscopy Based on Multi-Reference Correlation Coefficient Method and Back Propagation Artificial Neural Network.

    Science.gov (United States)

    Sun, Yangbo; Chen, Long; Huang, Bisheng; Chen, Keli

    2017-07-01

    As a mineral, the traditional Chinese medicine calamine has a similar shape to many other minerals. Investigations of commercially available calamine samples have shown that there are many fake and inferior calamine goods sold on the market. The conventional identification method for calamine is complicated, therefore as a result of the large scale of calamine samples, a rapid identification method is needed. To establish a qualitative model using near-infrared (NIR) spectroscopy for rapid identification of various calamine samples, large quantities of calamine samples including crude products, counterfeits and processed products were collected and correctly identified using the physicochemical and powder X-ray diffraction method. The NIR spectroscopy method was used to analyze these samples by combining the multi-reference correlation coefficient (MRCC) method and the error back propagation artificial neural network algorithm (BP-ANN), so as to realize the qualitative identification of calamine samples. The accuracy rate of the model based on NIR and MRCC methods was 85%; in addition, the model, which took comprehensive multiple factors into consideration, can be used to identify crude calamine products, its counterfeits and processed products. Furthermore, by in-putting the correlation coefficients of multiple references as the spectral feature data of samples into BP-ANN, a BP-ANN model of qualitative identification was established, of which the accuracy rate was increased to 95%. The MRCC method can be used as a NIR-based method in the process of BP-ANN modeling.

  15. Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Pittner, Jiří; van Dam, H. J. J.; Apra, E.; Kowalski, K.

    2012-01-01

    Roč. 8, č. 2 (2012), s. 487-497 ISSN 1549-9618 R&D Projects: GA ČR GAP208/11/2222 Institutional research plan: CEZ:AV0Z40400503 Keywords : Blast forum standard * Hilbert-space * State-universal Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.389, year: 2012

  16. An exponential multireference wave-function Ansatz

    International Nuclear Information System (INIS)

    Hanrath, Michael

    2005-01-01

    An exponential multireference wave-function Ansatz is formulated. In accordance with the state universal coupled-cluster Ansatz of Jeziorski and Monkhorst [Phys. Rev. A 24, 1668 (1981)] the approach uses a reference specific cluster operator. In order to achieve state selectiveness the excitation- and reference-related amplitude indexing of the state universal Ansatz is replaced by an indexing which is based on excited determinants. There is no reference determinant playing a particular role. The approach is size consistent, coincides with traditional single-reference coupled cluster if applied to a single-reference, and converges to full configuration interaction with an increasing cluster operator excitation level. Initial applications on BeH 2 , CH 2 , Li 2 , and nH 2 are reported

  17. Large-scale parallel uncontracted multireference-averaged quadratic coupled cluster: the ground state of the chromium dimer revisited.

    Science.gov (United States)

    Müller, Thomas

    2009-11-12

    The accurate prediction of the potential energy function of the X1Sigmag+ state of Cr2 is a remarkable challenge; large differential electron correlation effects, significant scalar relativistic contributions, the need for large flexible basis sets containing g functions, the importance of semicore valence electron correlation, and its multireference nature pose considerable obstacles. So far, the only reasonable successful approaches were based on multireference perturbation theory (MRPT). Recently, there was some controversy in the literature about the role of error compensation and systematic defects of various MRPT implementations that cannot be easily overcome. A detailed basis set study of the potential energy function is presented, adopting a variational method. The method of choice for this electron-rich target with up to 28 correlated electrons is fully uncontracted multireference-averaged quadratic coupled cluster (MR-AQCC), which shares the flexibility of the multireference configuration interaction (MRCI) approach and is, in addition, approximately size-extensive (0.02 eV in error as compared to the MRCI value of 1.37 eV for two noninteracting chromium atoms). The best estimate for De arrives at 1.48 eV and agrees well with the experimental data of 1.47 +/- 0.056 eV. At the estimated CBS limit, the equilibrium bond distance (1.685 A) and vibrational frequency (459 cm-1) are in agreement with experiment (1.679 A, 481 cm-1). Large basis sets and reference configuration spaces invariably result in huge wave function expansions (here, up to 2.8 billion configuration state functions), and efficient parallel implementations of the method are crucial. Hence, relevant details on implementation and general performance of the parallel program code are discussed as well.

  18. Can time-dependent density functional theory predict intersystem crossing in organic chromophores? A case study on benzo(bis)-X-diazole based donor-acceptor-donor type molecules.

    Science.gov (United States)

    Tam, Teck Lip Dexter; Lin, Ting Ting; Chua, Ming Hui

    2017-06-21

    Here we utilized new diagnostic tools in time-dependent density functional theory to explain the trend of intersystem crossing in benzo(bis)-X-diazole based donor-acceptor-donor type molecules. These molecules display a wide range of fluorescence quantum yields and triplet yields, making them excellent candidates for testing the validity of these diagnostic tools. We believe that these tools are cost-effective and can be applied to structurally similar organic chromophores to predict/explain the trends of intersystem crossing, and thus fluorescence quantum yields and triplet yields without the use of complex and expensive multireference configuration interaction or multireference pertubation theory methods.

  19. Relativistic multireference many-body perturbation theory calculations on F-, Ne-, Na-, Mg-, Al-, Si- and P-like xenon ions

    International Nuclear Information System (INIS)

    Vilkas, Marius J; Ishikawa, Yasuyuki; Traebert, Elmar

    2006-01-01

    Many-body perturbation theory (MBPT) has been employed to calculate with high wavelength accuracy the extreme ultraviolet (EUV) spectra of F-like to P-like Xe ions. We discuss the reliability of the new calculations using the example of EUV beam-foil spectra of Xe, in which n = 3, Δn = 0 transitions of Na-, Mg-, Al- and Si-like ions have been found to dominate. A further comparison is made with spectra from an electron beam ion trap, that is, from a device with a very different (low density) excitation balance

  20. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    Energy Technology Data Exchange (ETDEWEB)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Müller, Thomas, E-mail: th.mueller@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich (Germany); Plasser, Felix [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany); Lischka, Hans [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States)

    2014-08-21

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.

  1. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    International Nuclear Information System (INIS)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia; Müller, Thomas; Plasser, Felix; Lischka, Hans

    2014-01-01

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations

  2. General active space commutator-based coupled cluster theory of general excitation rank for electronically excited states: implementation and application to ScH.

    Science.gov (United States)

    Hubert, Mickaël; Olsen, Jeppe; Loras, Jessica; Fleig, Timo

    2013-11-21

    We present a new implementation of general excitation rank coupled cluster theory for electronically excited states based on the single-reference multi-reference formalism. The method may include active-space selected and/or general higher excitations by means of the general active space concept. It may employ molecular integrals over the four-component Lévy-Leblond Hamiltonian or the relativistic spin-orbit-free four-component Hamiltonian of Dyall. In an initial application to ground- and excited states of the scandium monohydride molecule we report spectroscopic constants using basis sets of up to quadruple-zeta quality and up to full iterative triple excitations in the cluster operators. Effects due to spin-orbit interaction are evaluated using two-component multi-reference configuration interaction for assessing the accuracy of the coupled cluster results.

  3. Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations

    Science.gov (United States)

    Suo, Bingbing; Lei, Yibo; Han, Huixian; Wang, Yubin

    2018-04-01

    This mini-review introduces our works on the Xi'an-CI (configuration interaction) package using graphical unitary group approach (GUGA). Taking advantage of the hole-particle symmetry in GUGA, the Galfand states used to span the CI space are classified into CI subspaces according to the number of holes and particles, and the coupling coefficients used to calculate Hamiltonian matrix elements could be factorised into the segment factors in the hole, active and external spaces. An efficient multi-reference CI with single and double excitations (MRCISD) algorithm is thus developed that reduces the storage requirement and increases the number of correlated electrons significantly. The hole-particle symmetry also gives rise to a doubly contracted MRCISD approach. Moreover, the internally contracted Gelfand states are defined within the CI subspace arising from the hole-particle symmetry, which makes the implementation of internally contracted MRCISD in the framework of GUGA possible. In addition to MRCISD, the development of multi-reference second-order perturbation theory (MRPT2) also benefits from the hole-particle symmetry. A configuration-based MRPT2 algorithm is proposed and extended to the multi-state n-electron valence-state second-order perturbation theory.

  4. Quantum spin correction scheme based on spin-correlation functional for Kohn-Sham spin density functional theory

    International Nuclear Information System (INIS)

    Yamanaka, Shusuke; Takeda, Ryo; Nakata, Kazuto; Takada, Toshikazu; Shoji, Mitsuo; Kitagawa, Yasutaka; Yamaguchi, Kizashi

    2007-01-01

    We present a simple quantum correction scheme for ab initio Kohn-Sham spin density functional theory (KS-SDFT). This scheme is based on a mapping from ab initio results to a Heisenberg model Hamiltonian. The effective exchange integral is estimated by using energies and spin correlation functionals calculated by ab initio KS-SDFT. The quantum-corrected spin-correlation functional is open to be designed to cover specific quantum spin fluctuations. In this article, we present a simple correction for dinuclear compounds having multiple bonds. The computational results are discussed in relation to multireference (MR) DFT, by which we treat the quantum many-body effects explicitly

  5. 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

  6. Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions

    Science.gov (United States)

    Spezia, Riccardo; Knecht, Stefan; Mennucci, Benedetta

    Carotenoids can play multiple roles in biological photoreceptors thanks to their rich photophysics. In the present work, we have investigated six of the most common carbonyl containing carotenoids: Echinenone, Canthaxanthin, Astaxanthin, Fucoxanthin, Capsanthin and Capsorubin. Their excitation properties are investigated by means of a hybrid density functional theory (DFT) and multireference configuration interaction (MRCI) approach to elucidate the role of the carbonyl group: the bright transition is of {\\pi}{\\pi}* character, as expected, but the presence of a C=O moiety reduces the energy of n{\\pi}* transitions which may become closer to the {\\pi}{\\pi}* transition, in particular as the conjugation chain decreases. This can be related to the presence of a low-lying charge transfer state typical of short carbonyl- containing carotenoids. The DFT/MRCI results are finally used to benchmark single- reference time-dependent DFT-based methods: among the investigated functionals, the meta- GGA (and in particular M11L and MN12L) functionals show to perform the best for all six investigated systems.

  7. Theory-Based Stakeholder Evaluation

    Science.gov (United States)

    Hansen, Morten Balle; Vedung, Evert

    2010-01-01

    This article introduces a new approach to program theory evaluation called theory-based stakeholder evaluation or the TSE model for short. Most theory-based approaches are program theory driven and some are stakeholder oriented as well. Practically, all of the latter fuse the program perceptions of the various stakeholder groups into one unitary…

  8. Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.

    Science.gov (United States)

    Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

    2011-11-14

    We have recently developed a methodology for the calculation of exchange coupling constants J in weakly interacting polynuclear metal clusters. The method is based on unrestricted and restricted second order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) and is here applied to eight binuclear copper systems. Comparison of the SF-CV(2)-DFT results with experiment and with results obtained from other DFT and wave function based methods has been made. Restricted SF-CV(2)-DFT with the BH&HLYP functional yields consistently J values in excellent agreement with experiment. The results acquired from this scheme are comparable in quality to those obtained by accurate multi-reference wave function methodologies such as difference dedicated configuration interaction and the complete active space with second-order perturbation theory. © 2011 American Institute of Physics

  9. Electron Correlation from the Adiabatic Connection for Multireference Wave Functions

    Science.gov (United States)

    Pernal, Katarzyna

    2018-01-01

    An adiabatic connection (AC) formula for the electron correlation energy is derived for a broad class of multireference wave functions. The AC expression recovers dynamic correlation energy and assures a balanced treatment of the correlation energy. Coupling the AC formalism with the extended random phase approximation allows one to find the correlation energy only from reference one- and two-electron reduced density matrices. If the generalized valence bond perfect pairing model is employed a simple closed-form expression for the approximate AC formula is obtained. This results in the overall M5 scaling of the computation cost making the method one of the most efficient multireference approaches accounting for dynamic electron correlation also for the strongly correlated systems.

  10. 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

  11. Noniterative Multireference Coupled Cluster Methods on Heterogeneous CPU-GPU Systems

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Ma, Wenjing; Krishnamoorthy, Sriram; Villa, Oreste; van Dam, Hubertus JJ; Apra, Edoardo; Kowalski, Karol

    2013-04-09

    A novel parallel algorithm for non-iterative multireference coupled cluster (MRCC) theories, which merges recently introduced reference-level parallelism (RLP) [K. Bhaskaran-Nair, J.Brabec, E. Aprà, H.J.J. van Dam, J. Pittner, K. Kowalski, J. Chem. Phys. 137, 094112 (2012)] with the possibility of accelerating numerical calculations using graphics processing unit (GPU) is presented. We discuss the performance of this algorithm on the example of the MRCCSD(T) method (iterative singles and doubles and perturbative triples), where the corrections due to triples are added to the diagonal elements of the MRCCSD (iterative singles and doubles) effective Hamiltonian matrix. The performance of the combined RLP/GPU algorithm is illustrated on the example of the Brillouin-Wigner (BW) and Mukherjee (Mk) state-specific MRCCSD(T) formulations.

  12. Multireference adaptive noise canceling applied to the EEG.

    Science.gov (United States)

    James, C J; Hagan, M T; Jones, R D; Bones, P J; Carroll, G J

    1997-08-01

    The technique of multireference adaptive noise canceling (MRANC) is applied to enhance transient nonstationarities in the electroeancephalogram (EEG), with the adaptation implemented by means of a multilayer-perception artificial neural network (ANN). The method was applied to recorded EEG segments and the performance on documented nonstationarities recorded. The results show that the neural network (nonlinear) gives an improvement in performance (i.e., signal-to-noise ratio (SNR) of the nonstationarities) compared to a linear implementation of MRANC. In both cases an improvement in the SNR was obtained. The advantage of the spatial filtering aspect of MRANC is highlighted when the performance of MRANC is compared to that of the inverse auto-regressive filtering of the EEG, a purely temporal filter.

  13. A Jeziorski-Monkhorst fully uncontracted multi-reference perturbative treatment. I. Principles, second-order versions, and tests on ground state potential energy curves

    Science.gov (United States)

    Giner, Emmanuel; Angeli, Celestino; Garniron, Yann; Scemama, Anthony; Malrieu, Jean-Paul

    2017-06-01

    The present paper introduces a new multi-reference perturbation approach developed at second order, based on a Jeziorski-Mokhorst expansion using individual Slater determinants as perturbers. Thanks to this choice of perturbers, an effective Hamiltonian may be built, allowing for the dressing of the Hamiltonian matrix within the reference space, assumed here to be a CAS-CI. Such a formulation accounts then for the coupling between the static and dynamic correlation effects. With our new definition of zeroth-order energies, these two approaches are strictly size-extensive provided that local orbitals are used, as numerically illustrated here and formally demonstrated in the Appendix. Also, the present formalism allows for the factorization of all double excitation operators, just as in internally contracted approaches, strongly reducing the computational cost of these two approaches with respect to other determinant-based perturbation theories. The accuracy of these methods has been investigated on ground-state potential curves up to full dissociation limits for a set of six molecules involving single, double, and triple bond breaking together with an excited state calculation. The spectroscopic constants obtained with the present methods are found to be in very good agreement with the full configuration interaction results. As the present formalism does not use any parameter or numerically unstable operation, the curves obtained with the two methods are smooth all along the dissociation path.

  14. Theory-Based Evaluation Meets Ambiguity

    DEFF Research Database (Denmark)

    Dahler-Larsen, Peter

    2017-01-01

    As theory-based evaluation (TBE) engages in situations where multiple stakeholders help develop complex program theory about dynamic phenomena in politically contested settings, it becomes difficult to develop and use program theory without ambiguity. The purpose of this article is to explore...... ambiguity as a fruitful perspective that helps TBE face current challenges. Literatures in organization theory and political theory are consulted in order to cultivate the concept of ambiguity. Janus variables (which work in two ways) and other ambiguous aspects of program theories are classified...... and exemplified. Stances towards ambiguity are considered, as are concrete steps that TBE evaluators can take to identify and deal with ambiguity in TBE....

  15. Quasi-degenerate perturbation theory using matrix product states

    International Nuclear Information System (INIS)

    Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

    2016-01-01

    In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner’s 2n + 1 rule. Further, our formulation satisfies Granovsky’s requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost

  16. Quasi-degenerate perturbation theory using matrix product states

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Sandeep, E-mail: sanshar@gmail.com; Jeanmairet, Guillaume [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Alavi, Ali, E-mail: a.alavi@fkf.mpg.de [Max Planck Institute for Solid State Research, Heisenbergstraße 1, 70569 Stuttgart (Germany); Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2016-01-21

    In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner’s 2n + 1 rule. Further, our formulation satisfies Granovsky’s requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

  17. Quasi-degenerate perturbation theory using matrix product states

    Science.gov (United States)

    Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali

    2016-01-01

    In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.

  18. Vocation in theology-based nursing theories.

    Science.gov (United States)

    Lundmark, Mikael

    2007-11-01

    By using the concepts of intrinsicality/extrinsicality as analytic tools, the theology-based nursing theories of Ann Bradshaw and Katie Eriksson are analyzed regarding their explicit and/or implicit understanding of vocation as a motivational factor for nursing. The results show that both theories view intrinsic values as guarantees against reducing nursing practice to mechanistic applications of techniques and as being a way of reinforcing a high ethical standard. The theories explicitly (Bradshaw) or implicitly (Eriksson) advocate a vocational understanding of nursing as being essential for nursing theories. Eriksson's theory has a potential for conceptualizing an understanding of extrinsic and intrinsic motivational factors for nursing but one weakness in the theory could be the risk of slipping over to moral judgments where intrinsic factors are valued as being superior to extrinsic. Bradshaw's theory is more complex and explicit in understanding the concept of vocation and is theologically more plausible, although also more confessional.

  19. Power Load Prediction Based on Fractal Theory

    OpenAIRE

    Jian-Kai, Liang; Cattani, Carlo; Wan-Qing, Song

    2015-01-01

    The basic theories of load forecasting on the power system are summarized. Fractal theory, which is a new algorithm applied to load forecasting, is introduced. Based on the fractal dimension and fractal interpolation function theories, the correlation algorithms are applied to the model of short-term load forecasting. According to the process of load forecasting, the steps of every process are designed, including load data preprocessing, similar day selecting, short-term load forecasting, and...

  20. The Scope of Usage-based Theory

    OpenAIRE

    Paul eIbbotson

    2013-01-01

    Usage-based approaches typically draw on a relatively small set of cognitive processes, such as categorization, analogy, and chunking to explain language structure and function. The goal of this paper is to first review the extent to which the “cognitive commitment” of usage-based theory has had success in explaining empirical findings across domains, including language acquisition, processing, and typology. We then look at the overall strengths and weaknesses of usage-based theory and highli...

  1. Wavelet-Based Quantum Field Theory

    Directory of Open Access Journals (Sweden)

    Mikhail V. Altaisky

    2007-11-01

    Full Text Available The Euclidean quantum field theory for the fields $phi_{Delta x}(x$, which depend on both the position $x$ and the resolution $Delta x$, constructed in SIGMA 2 (2006, 046, on the base of the continuous wavelet transform, is considered. The Feynman diagrams in such a theory become finite under the assumption there should be no scales in internal lines smaller than the minimal of scales of external lines. This regularisation agrees with the existing calculations of radiative corrections to the electron magnetic moment. The transition from the newly constructed theory to a standard Euclidean field theory is achieved by integration over the scale arguments.

  2. O(3P) + C2H4 Potential Energy Surface: Study at the Multireference Level

    Czech Academy of Sciences Publication Activity Database

    West, A. C.; Kretchmer, J. S.; Sellner, B.; Park, K.; Hase, W. L.; Lischka, Hans; Windus, T. L.

    2009-01-01

    Roč. 113, č. 45 (2009), s. 12663-12674 ISSN 1089-5639 Institutional research plan: CEZ:AV0Z40550506 Keywords : hydrogen combustion * multireference methods * O(3P)+C2H4 reaction Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.899, year: 2009

  3. Accounting bases of theory: Why they matter

    Directory of Open Access Journals (Sweden)

    Zafeer Nagdee

    2016-11-01

    Full Text Available It is widely agreed that contemporary accounting practice is largely based on the application of professional accounting standards rather than on the application of sound, academic bases of theory. This has led to uncertainty within the field which has in turn inhibited the ability of accounting to develop into a more robust academic discipline. In conducting a thematic analysis of existing literature, this study will identify and expand on three key themes which will collectively establish the argument positing that a lacking basis of accounting theory has impaired the scholastic development of accounting practice worldwide. By introducing this argument to the academic community, this study will expose the economic risks associated with accounting’s absent bases of theory and will consequently add value by highlighting the need for additional research into the development, clarification and refinement of accounting theories that will result in more useful accounting practices worldwide

  4. Computer-based theory of strategies

    Energy Technology Data Exchange (ETDEWEB)

    Findler, N V

    1983-01-01

    Some of the objectives and working tools of a new area of study, tentatively called theory of strategies, are described. It is based on the methodology of artificial intelligence, decision theory, operations research and digital gaming. The latter refers to computing activity that incorporates model building, simulation and learning programs in conflict situations. Three long-term projects which aim at automatically analyzing and synthesizing strategies are discussed. 27 references.

  5. 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

  6. 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

  7. A Performance-Based Instructional Theory

    Science.gov (United States)

    Lawson, Tom E.

    1974-01-01

    The rationale for a performanced- based instructional theory has arisen from significant advances during the past several years in instructional psychology. Four major areas of concern are: analysis of subject-matter content in terms of performance competencies, diagnosis of pre-instructional behavior, formulation of an instructional…

  8. Jigsaw Cooperative Learning: Acid-Base Theories

    Science.gov (United States)

    Tarhan, Leman; Sesen, Burcin Acar

    2012-01-01

    This study focused on investigating the effectiveness of jigsaw cooperative learning instruction on first-year undergraduates' understanding of acid-base theories. Undergraduates' opinions about jigsaw cooperative learning instruction were also investigated. The participants of this study were 38 first-year undergraduates in chemistry education…

  9. Theory-based explanation as intervention.

    Science.gov (United States)

    Weisman, Kara; Markman, Ellen M

    2017-10-01

    Cogent explanations are an indispensable means of providing new information and an essential component of effective education. Beyond this, we argue that there is tremendous untapped potential in using explanations to motivate behavior change. In this article we focus on health interventions. We review four case studies that used carefully tailored explanations to address gaps and misconceptions in people's intuitive theories, providing participants with a conceptual framework for understanding how and why some recommended behavior is an effective way of achieving a health goal. These case studies targeted a variety of health-promoting behaviors: (1) children washing their hands to prevent viral epidemics; (2) parents vaccinating their children to stem the resurgence of infectious diseases; (3) adults completing the full course of an antibiotic prescription to reduce antibiotic resistance; and (4) children eating a variety of healthy foods to improve unhealthy diets. Simply telling people to engage in these behaviors has been largely ineffective-if anything, concern about these issues is mounting. But in each case, teaching participants coherent explanatory frameworks for understanding health recommendations has shown great promise, with such theory-based explanations outperforming state-of-the-art interventions from national health authorities. We contrast theory-based explanations both with simply listing facts, information, and advice and with providing a full-blown educational curriculum, and argue for providing the minimum amount of information required to understand the causal link between a target behavior and a health outcome. We argue that such theory-based explanations lend people the motivation and confidence to act on their new understanding.

  10. The Scope of Usage-based Theory

    Directory of Open Access Journals (Sweden)

    Paul eIbbotson

    2013-05-01

    Full Text Available Usage-based approaches typically draw on a relatively small set of cognitive processes, such as categorization, analogy and chunking to explain language structure and function. The goal of this paper is to first review the extent to which the ‘cognitive commitment’ of usage-based theory has had success in explaining empirical findings across domains, including language acquisition, processing and typology. We then look at the overall strengths and weaknesses of usage-based theory and highlight where there are significant debates. Finally, we draw special attention to a set of culturally generated structural patterns that seem to lie beyond the explanation of core usage-based cognitive processes. In this context we draw a distinction between cognition permitting language structure versus cognition entailing language structure. As well as addressing the need for greater clarity on the mechanisms of generalizations and the fundamental units of grammar, we suggest that integrating culturally generated structures within existing cognitive models of use will generate tighter predictions about how language works.

  11. Information theory based approaches to cellular signaling.

    Science.gov (United States)

    Waltermann, Christian; Klipp, Edda

    2011-10-01

    Cells interact with their environment and they have to react adequately to internal and external changes such changes in nutrient composition, physical properties like temperature or osmolarity and other stresses. More specifically, they must be able to evaluate whether the external change is significant or just in the range of noise. Based on multiple external parameters they have to compute an optimal response. Cellular signaling pathways are considered as the major means of information perception and transmission in cells. Here, we review different attempts to quantify information processing on the level of individual cells. We refer to Shannon entropy, mutual information, and informal measures of signaling pathway cross-talk and specificity. Information theory in systems biology has been successfully applied to identification of optimal pathway structures, mutual information and entropy as system response in sensitivity analysis, and quantification of input and output information. While the study of information transmission within the framework of information theory in technical systems is an advanced field with high impact in engineering and telecommunication, its application to biological objects and processes is still restricted to specific fields such as neuroscience, structural and molecular biology. However, in systems biology dealing with a holistic understanding of biochemical systems and cellular signaling only recently a number of examples for the application of information theory have emerged. This article is part of a Special Issue entitled Systems Biology of Microorganisms. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. Implementation of High-Order Multireference Coupled-Cluster Methods on Intel Many Integrated Core Architecture.

    Science.gov (United States)

    Aprà, E; Kowalski, K

    2016-03-08

    In this paper we discuss the implementation of multireference coupled-cluster formalism with singles, doubles, and noniterative triples (MRCCSD(T)), which is capable of taking advantage of the processing power of the Intel Xeon Phi coprocessor. We discuss the integration of two levels of parallelism underlying the MRCCSD(T) implementation with computational kernels designed to offload the computationally intensive parts of the MRCCSD(T) formalism to Intel Xeon Phi coprocessors. Special attention is given to the enhancement of the parallel performance by task reordering that has improved load balancing in the noniterative part of the MRCCSD(T) calculations. We also discuss aspects regarding efficient optimization and vectorization strategies.

  13. Theory-based interventions for contraception.

    Science.gov (United States)

    Lopez, Laureen M; Grey, Thomas W; Chen, Mario; Tolley, Elizabeth E; Stockton, Laurie L

    2016-11-23

    The explicit use of theory in research helps expand the knowledge base. Theories and models have been used extensively in HIV-prevention research and in interventions for preventing sexually transmitted infections (STIs). The health behavior field uses many theories or models of change. However, many educational interventions addressing contraception have no explicit theoretical base. To review randomized controlled trials (RCTs) that tested a theoretical approach to inform contraceptive choice and encourage or improve contraceptive use. To 1 November 2016, we searched for trials that tested a theory-based intervention for improving contraceptive use in PubMed, CENTRAL, POPLINE, Web of Science, ClinicalTrials.gov, and ICTRP. For the initial review, we wrote to investigators to find other trials. Included trials tested a theory-based intervention for improving contraceptive use. Interventions addressed the use of one or more methods for contraception. The reports provided evidence that the intervention was based on a specific theory or model. The primary outcomes were pregnancy and contraceptive choice or use. We assessed titles and abstracts identified during the searches. One author extracted and entered the data into Review Manager; a second author verified accuracy. We examined studies for methodological quality.For unadjusted dichotomous outcomes, we calculated the Mantel-Haenszel odds ratio (OR) with 95% confidence interval (CI). Cluster randomized trials used various methods of accounting for the clustering, such as multilevel modeling. Most reports did not provide information to calculate the effective sample size. Therefore, we presented the results as reported by the investigators. We did not conduct meta-analysis due to varied interventions and outcome measures. We included 10 new trials for a total of 25. Five were conducted outside the USA. Fifteen randomly assigned individuals and 10 randomized clusters. This section focuses on nine trials with high or

  14. Introduction to the theory of bases

    CERN Document Server

    Marti, Jürg T

    1969-01-01

    Since the publication of Banach's treatise on the theory of linear operators, the literature on the theory of bases in topological vector spaces has grown enormously. Much of this literature has for its origin a question raised in Banach's book, the question whether every sepa­ rable Banach space possesses a basis or not. The notion of a basis employed here is a generalization of that of a Hamel basis for a finite dimensional vector space. For a vector space X of infinite dimension, the concept of a basis is closely related to the convergence of the series which uniquely correspond to each point of X. Thus there are different types of bases for X, according to the topology imposed on X and the chosen type of convergence for the series. Although almost four decades have elapsed since Banach's query, the conjectured existence of a basis for every separable Banach space is not yet proved. On the other hand, no counter examples have been found to show the existence of a special Banach space having no basis. Howe...

  15. Platoon Dispersion Analysis Based on Diffusion Theory

    Directory of Open Access Journals (Sweden)

    Badhrudeen Mohamed

    2017-01-01

    Full Text Available Urbanization and gro wing demand for travel, causes the traffic system to work ineffectively in most urban areas leadin g to traffic congestion. Many approaches have been adopted to address this problem, one among them being the signal co-ordination. This can be achieved if the platoon of vehicles that gets discharged at one signal gets green at consecutive signals with minimal delay. However, platoons tend to get dispersed as they travel and this dispersion phenomenon should be taken into account for effective signal coordination. Reported studies in this area are from the homogeneous and lane disciplined traffic conditions. This paper analyse the platoon dispersion characteristics under heterogeneous and lane-less traffic conditions. Out of the various modeling techniques reported, the approach based on diffusion theory is used in this study. The diffusion theory based models so far assumed thedata to follow normal distribution. However, in the present study, the data was found to follow lognormal distribution and hence the implementation was carried out using lognormal distribution. The parameters of lognormal distribution were calibrated for the study condition. For comparison purpose, normal distribution was also calibrated and the results were evaluated. It was foun d that model with log normal distribution performed better in all cases than the o ne with normal distribution.

  16. Advances in heuristically based generalized perturbation theory

    International Nuclear Information System (INIS)

    Gandini, A.

    1994-01-01

    A distinctive feature of heuristically based generalized perturbation theory methodology consists in the systematic use of importance conservation concepts. As well known, this use leads to fundamental reciprocity relationship. Instead, the alternative variational and differential one approaches make a consistent use of the properties and adjoint functions. The equivalence between the importance and the adjoint functions have been demonstrated in important cases. There are some instances, however, in which the commonly known operator governing the adjoint function are not adequate. In this paper ways proposed to generalize this rules, as adopted with the heuristic generalized perturbation theory methodology, are illustrated. When applied to the neutron/nuclide field characterizing the core evolution in a power reactor system, in which also an intensive control variable (ρ) is defined, these rules leas to an orthogonality relationship connected to this same control variable. A set of ρ-mode eigenfunctions may be correspondingly defined and an extended concept of reactivity (generalizing that commonly associated with the multiplication factor) proposed as more directly indicative of the controllability of a critical reactor system. (author). 25 refs

  17. System Dynamics as Model-Based Theory Building

    OpenAIRE

    Schwaninger, Markus; Grösser, Stefan N.

    2008-01-01

    This paper introduces model-based theory building as a feature of system dynamics (SD) with large potential. It presents a systemic approach to actualizing that potential, thereby opening up a new perspective on theory building in the social sciences. The question addressed is if and how SD enables the construction of high-quality theories. This contribution is based on field experiment type projects which have been focused on model-based theory building, specifically the construction of a mi...

  18. Physically based rendering from theory to implementation

    CERN Document Server

    Pharr, Matt

    2010-01-01

    "Physically Based Rendering, 2nd Edition" describes both the mathematical theory behind a modern photorealistic rendering system as well as its practical implementation. A method - known as 'literate programming'- combines human-readable documentation and source code into a single reference that is specifically designed to aid comprehension. The result is a stunning achievement in graphics education. Through the ideas and software in this book, you will learn to design and employ a full-featured rendering system for creating stunning imagery. This book features new sections on subsurface scattering, Metropolis light transport, precomputed light transport, multispectral rendering, and much more. It includes a companion site complete with source code for the rendering system described in the book, with support for Windows, OS X, and Linux. Code and text are tightly woven together through a unique indexing feature that lists each function, variable, and method on the page that they are first described.

  19. Plasma balance equations based on orbit theory

    International Nuclear Information System (INIS)

    Lehnert, B.

    1982-01-01

    A set of plasma balance equations is proposed which is based on orbit theory and the particle distribution function, to provide means for theoretical analysis of a number of finite Larmor radius (FLR) phenomena without use of the Vlasov equation. Several important FLR effects originate from the inhomogeneity of an electric field in the plasma. The exact solution of a simple case shows that this inhomogeneity introduces fundamental changes in the physics of the particle motion. Thus, the periodic Larmor motion (gyration) is shifted in frequency and becomes elliptically polarized. Further, the non-periodic guiding-centre drift obtains additional components, part of which are accelerated such as to make the drift orbits intersect the equipotential surfaces of a static electric field. An attempt is finally made to classify the FLR effects, also with the purpose of identifying phenomena which have so far not been investigated. (author)

  20. Towards large-scale calculations with State-Specific Multireference Coupled Cluster methods: Studies on dodecane, naphthynes, and polycarbenes

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Bhaskaran-Neir, K.; Kowalski, K.; Pittner, Jiří; van Dam, H. J. J.

    2012-01-01

    Roč. 542, 23 July (2012), s. 128-133 ISSN 0009-2614 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : multireference Coupled Cluster (MRCC) methods * molecular systems * polycarbenes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.145, year: 2012

  1. The accuracy of molecular bond lengths computed by multireference electronic structure methods

    International Nuclear Information System (INIS)

    Shepard, Ron; Kedziora, Gary S.; Lischka, Hans; Shavitt, Isaiah; Mueller, Thomas; Szalay, Peter G.; Kallay, Mihaly; Seth, Michael

    2008-01-01

    We compare experimental R e values with computed R e values for 20 molecules using three multireference electronic structure methods, MCSCF, MR-SDCI, and MR-AQCC. Three correlation-consistent orbital basis sets are used, along with complete basis set extrapolations, for all of the molecules. These data complement those computed previously with single-reference methods. Several trends are observed. The SCF R e values tend to be shorter than the experimental values, and the MCSCF values tend to be longer than the experimental values. We attribute these trends to the ionic contamination of the SCF wave function and to the corresponding systematic distortion of the potential energy curve. For the individual bonds, the MR-SDCI R e values tend to be shorter than the MR-AQCC values, which in turn tend to be shorter than the MCSCF values. Compared to the previous single-reference results, the MCSCF values are roughly comparable to the MP4 and CCSD methods, which are more accurate than might be expected due to the fact that these MCSCF wave functions include no extra-valence electron correlation effects. This suggests that static valence correlation effects, such as near-degeneracies and the ability to dissociate correctly to neutral fragments, play an important role in determining the shape of the potential energy surface, even near equilibrium structures. The MR-SDCI and MR-AQCC methods predict R e values with an accuracy comparable to, or better than, the best single-reference methods (MP4, CCSD, and CCSD(T)), despite the fact that triple and higher excitations into the extra-valence orbital space are included in the single-reference methods but are absent in the multireference wave functions. The computed R e values using the multireference methods tend to be smooth and monotonic with basis set improvement. The molecular structures are optimized using analytic energy gradients, and the timings for these calculations show the practical advantage of using variational wave

  2. The accuracy of molecular bond lengths computed by multireference electronic structure methods

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, Ron [Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, IL 60439 (United States)], E-mail: shepard@tcg.anl.gov; Kedziora, Gary S. [High Performance Technologies Inc., 2435 5th Street, WPAFB, OH 45433 (United States); Lischka, Hans [Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, A-1090 Vienna (Austria); Shavitt, Isaiah [Department of Chemistry, University of Illinois, 600 S. Mathews Avenue, Urbana, IL 61801 (United States); Mueller, Thomas [Juelich Supercomputer Centre, Research Centre Juelich, D-52425 Juelich (Germany); Szalay, Peter G. [Laboratory for Theoretical Chemistry, Institute of Chemistry, Eoetvoes Lorand University, P.O. Box 32, H-1518 Budapest (Hungary); Kallay, Mihaly [Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics, P.O. Box 91, H-1521 Budapest (Hungary); Seth, Michael [Department of Chemistry, University of Calgary, 2500 University Drive, N.W., Calgary, Alberta, T2N 1N4 (Canada)

    2008-06-16

    We compare experimental R{sub e} values with computed R{sub e} values for 20 molecules using three multireference electronic structure methods, MCSCF, MR-SDCI, and MR-AQCC. Three correlation-consistent orbital basis sets are used, along with complete basis set extrapolations, for all of the molecules. These data complement those computed previously with single-reference methods. Several trends are observed. The SCF R{sub e} values tend to be shorter than the experimental values, and the MCSCF values tend to be longer than the experimental values. We attribute these trends to the ionic contamination of the SCF wave function and to the corresponding systematic distortion of the potential energy curve. For the individual bonds, the MR-SDCI R{sub e} values tend to be shorter than the MR-AQCC values, which in turn tend to be shorter than the MCSCF values. Compared to the previous single-reference results, the MCSCF values are roughly comparable to the MP4 and CCSD methods, which are more accurate than might be expected due to the fact that these MCSCF wave functions include no extra-valence electron correlation effects. This suggests that static valence correlation effects, such as near-degeneracies and the ability to dissociate correctly to neutral fragments, play an important role in determining the shape of the potential energy surface, even near equilibrium structures. The MR-SDCI and MR-AQCC methods predict R{sub e} values with an accuracy comparable to, or better than, the best single-reference methods (MP4, CCSD, and CCSD(T)), despite the fact that triple and higher excitations into the extra-valence orbital space are included in the single-reference methods but are absent in the multireference wave functions. The computed R{sub e} values using the multireference methods tend to be smooth and monotonic with basis set improvement. The molecular structures are optimized using analytic energy gradients, and the timings for these calculations show the practical

  3. Benchmark Applications of Variations of Multireference Equation of Motion Coupled-Cluster Theory

    Czech Academy of Sciences Publication Activity Database

    Huntington, L. M.; Demel, Ondřej; Nooijen, M.

    2016-01-01

    Roč. 12, č. 1 (2016), s. 114-132 ISSN 1549-9618 R&D Projects: GA ČR GJ15-00058Y Institutional support: RVO:61388955 Keywords : MR-EOM * Benchmark applications * variations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.245, year: 2016

  4. Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory

    Czech Academy of Sciences Publication Activity Database

    Banik, Subrata; Ravichandran, Lalitha; Brabec, J.; Hubač, I.; Kowalski, K.; Pittner, Jiří

    2015-01-01

    Roč. 142, č. 11 (2015), s. 114106 ISSN 0021-9606 R&D Projects: GA MŠk LH13117; GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : QUADRUPLY EXCITED CLUSTERS * QUASI-DEGENERATE STATES * DOUBLE-EXCITATION MODEL Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.894, year: 2015

  5. 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

  6. 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}.

  7. Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Valsson, Omar [Department of Chemistry and Applied Biosciences, ETH Zurich and Facoltà di Informatica, Instituto di Scienze Computationali, Università della Svizzera italiana, Via Giuseppe Buffi 13, CH-6900 Lugano (Switzerland); Filippi, Claudia, E-mail: c.filippi@utwente.nl [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Casida, Mark E., E-mail: mark.casida@ujf-grenoble.fr [Laboratoire de Chimie Théorique, Département de Chimie Moléculaire (DCM), Institut de Chimie Moléculaire de Grenoble (ICMG), Université Joseph Fourier, Grenoble I, F-3801 Grenoble (France)

    2015-04-14

    The excited-state relaxation of retinal protonated Schiff bases (PSBs) is an important test case for biological applications of time-dependent (TD) density-functional theory (DFT). While well-known shortcomings of approximate TD-DFT might seem discouraging for application to PSB relaxation, progress continues to be made in the development of new functionals and of criteria allowing problematic excitations to be identified within the framework of TD-DFT itself. Furthermore, experimental and theoretical ab initio advances have recently lead to a revised understanding of retinal PSB photochemistry, calling for a reappraisal of the performance of TD-DFT in describing this prototypical photoactive system. Here, we re-investigate the performance of functionals in (TD-)DFT calculations in light of these new benchmark results, which we extend to larger PSB models. We focus on the ability of the functionals to describe primarily the early skeletal relaxation of the chromophore and investigate how far along the out-of-plane pathways these functionals are able to describe the subsequent rotation around formal single and double bonds. Conventional global hybrid and range-separated hybrid functionals are investigated as the presence of Hartree-Fock exchange reduces problems with charge-transfer excitations as determined by the Peach-Benfield-Helgaker-Tozer Λ criterion and by comparison with multi-reference perturbation theory results. While we confirm that most functionals cannot render the complex photobehavior of the retinal PSB, do we also observe that LC-BLYP gives the best description of the initial part of the photoreaction.

  8. An approach to higher dimensional theories based on lattice gauge theory

    International Nuclear Information System (INIS)

    Murata, M.; So, H.

    2004-01-01

    A higher dimensional lattice space can be decomposed into a number of four-dimensional lattices called as layers. The higher dimensional gauge theory on the lattice can be interpreted as four-dimensional gauge theories on the multi-layer with interactions between neighboring layers. We propose the new possibility to realize the continuum limit of a five-dimensional theory based on the property of the phase diagram

  9. Continuing Bonds in Bereavement: An Attachment Theory Based Perspective

    Science.gov (United States)

    Field, Nigel P.; Gao, Beryl; Paderna, Lisa

    2005-01-01

    An attachment theory based perspective on the continuing bond to the deceased (CB) is proposed. The value of attachment theory in specifying the normative course of CB expression and in identifying adaptive versus maladaptive variants of CB expression based on their deviation from this normative course is outlined. The role of individual…

  10. Recursive renormalization group theory based subgrid modeling

    Science.gov (United States)

    Zhou, YE

    1991-01-01

    Advancing the knowledge and understanding of turbulence theory is addressed. Specific problems to be addressed will include studies of subgrid models to understand the effects of unresolved small scale dynamics on the large scale motion which, if successful, might substantially reduce the number of degrees of freedom that need to be computed in turbulence simulation.

  11. Observational attachment theory-based parenting measures predict children's attachment narratives independently from social learning theory-based measures.

    Science.gov (United States)

    Matias, Carla; O'Connor, Thomas G; Futh, Annabel; Scott, Stephen

    2014-01-01

    Conceptually and methodologically distinct models exist for assessing quality of parent-child relationships, but few studies contrast competing models or assess their overlap in predicting developmental outcomes. Using observational methodology, the current study examined the distinctiveness of attachment theory-based and social learning theory-based measures of parenting in predicting two key measures of child adjustment: security of attachment narratives and social acceptance in peer nominations. A total of 113 5-6-year-old children from ethnically diverse families participated. Parent-child relationships were rated using standard paradigms. Measures derived from attachment theory included sensitive responding and mutuality; measures derived from social learning theory included positive attending, directives, and criticism. Child outcomes were independently-rated attachment narrative representations and peer nominations. Results indicated that Attachment theory-based and Social Learning theory-based measures were modestly correlated; nonetheless, parent-child mutuality predicted secure child attachment narratives independently of social learning theory-based measures; in contrast, criticism predicted peer-nominated fighting independently of attachment theory-based measures. In young children, there is some evidence that attachment theory-based measures may be particularly predictive of attachment narratives; however, no single model of measuring parent-child relationships is likely to best predict multiple developmental outcomes. Assessment in research and applied settings may benefit from integration of different theoretical and methodological paradigms.

  12. The Prediction of Item Parameters Based on Classical Test Theory and Latent Trait Theory

    Science.gov (United States)

    Anil, Duygu

    2008-01-01

    In this study, the prediction power of the item characteristics based on the experts' predictions on conditions try-out practices cannot be applied was examined for item characteristics computed depending on classical test theory and two-parameters logistic model of latent trait theory. The study was carried out on 9914 randomly selected students…

  13. SMD-based numerical stochastic perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Dalla Brida, Mattia [Universita di Milano-Bicocca, Dipartimento di Fisica, Milan (Italy); INFN, Sezione di Milano-Bicocca (Italy); Luescher, Martin [CERN, Theoretical Physics Department, Geneva (Switzerland); AEC, Institute for Theoretical Physics, University of Bern (Switzerland)

    2017-05-15

    The viability of a variant of numerical stochastic perturbation theory, where the Langevin equation is replaced by the SMD algorithm, is examined. In particular, the convergence of the process to a unique stationary state is rigorously established and the use of higher-order symplectic integration schemes is shown to be highly profitable in this context. For illustration, the gradient-flow coupling in finite volume with Schroedinger functional boundary conditions is computed to two-loop (i.e. NNL) order in the SU(3) gauge theory. The scaling behaviour of the algorithm turns out to be rather favourable in this case, which allows the computations to be driven close to the continuum limit. (orig.)

  14. SMD-based numerical stochastic perturbation theory

    International Nuclear Information System (INIS)

    Dalla Brida, Mattia; Luescher, Martin

    2017-01-01

    The viability of a variant of numerical stochastic perturbation theory, where the Langevin equation is replaced by the SMD algorithm, is examined. In particular, the convergence of the process to a unique stationary state is rigorously established and the use of higher-order symplectic integration schemes is shown to be highly profitable in this context. For illustration, the gradient-flow coupling in finite volume with Schroedinger functional boundary conditions is computed to two-loop (i.e. NNL) order in the SU(3) gauge theory. The scaling behaviour of the algorithm turns out to be rather favourable in this case, which allows the computations to be driven close to the continuum limit. (orig.)

  15. SMD-based numerical stochastic perturbation theory

    Science.gov (United States)

    Dalla Brida, Mattia; Lüscher, Martin

    2017-05-01

    The viability of a variant of numerical stochastic perturbation theory, where the Langevin equation is replaced by the SMD algorithm, is examined. In particular, the convergence of the process to a unique stationary state is rigorously established and the use of higher-order symplectic integration schemes is shown to be highly profitable in this context. For illustration, the gradient-flow coupling in finite volume with Schrödinger functional boundary conditions is computed to two-loop (i.e. NNL) order in the SU(3) gauge theory. The scaling behaviour of the algorithm turns out to be rather favourable in this case, which allows the computations to be driven close to the continuum limit.

  16. FDI theories. A location-based approach

    Directory of Open Access Journals (Sweden)

    Popovici, Oana Cristina

    2014-09-01

    Full Text Available Given the importance of FDI for the economic growth of both home and host countries, the aim of this paper is to assess the importance granted to location advantages during the development of FDI theory. We start with the earliest theoretical directions as regards FDI location issues and extend our study to describing less debated theories, but of a particular importance for this theme. In this way, we have the opportunity to emphasize the changes in FDI location determinants. We find that a direction of the FDI theories’ expansion is due to the incorporation of new variables on location, although the location advantages are barely mentioned in the first explanations regarding the international activity of the firms.

  17. The empirical bases of the scientific theory

    International Nuclear Information System (INIS)

    Cook, A.

    1996-01-01

    This paper was written according to a speech given by the author at the French Academy of Sciences in Paris on November 14, 1994. In this educational paper, the author tries to explain the origins and limitations of the scientific theories. The aim of science is to allow the edification of a rational framework which situates the observations we can make about the world in which we live. These observations are determined by the human capacities and by the physical world itself. Thus, the structure of our theories is, up to a certain limit, imposed by the observation constraints: for example, the relationship between the time evolution equation in quantum mechanics and the definition of the atomic time standard, or between the restricted relativity and the observation of far away events using the electromagnetic radiation. A corollary is that several physical systems can be assimilated to the representation of abstract groups, and this is a possible explanation of mathematics power in scientific theories. However, the group representation is not suitable for all natural systems, such as those referring to a chaotic dynamics. In this case, and in others in physics and biology, questions exist which cannot be answered by the simple study of the natural world

  18. Support vector machines optimization based theory, algorithms, and extensions

    CERN Document Server

    Deng, Naiyang; Zhang, Chunhua

    2013-01-01

    Support Vector Machines: Optimization Based Theory, Algorithms, and Extensions presents an accessible treatment of the two main components of support vector machines (SVMs)-classification problems and regression problems. The book emphasizes the close connection between optimization theory and SVMs since optimization is one of the pillars on which SVMs are built.The authors share insight on many of their research achievements. They give a precise interpretation of statistical leaning theory for C-support vector classification. They also discuss regularized twi

  19. Graph-based linear scaling electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.; Swart, Pieter J.; Germann, Timothy C.; Bock, Nicolas [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mniszewski, Susan M.; Mohd-Yusof, Jamal; Wall, Michael E.; Djidjev, Hristo [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rubensson, Emanuel H. [Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala (Sweden)

    2016-06-21

    We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.

  20. Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

    Science.gov (United States)

    Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

    2016-07-12

    A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

  1. MOTIVATING ENGLISH TEACHERS BASED ON THE BASIC NEEDS THEORY AND AN EXPECTANCY THEORY

    Directory of Open Access Journals (Sweden)

    Hidayatus Sholihah

    2017-08-01

    Full Text Available There are two main motivation theories. a hierarchy of basic needs theory,  and an expectancy theory. In a Hyrarchy of basic needs theory, Maslow has stated that the basic needs as a main behaviour direction are structured into a hierarchy. There are five basic human needs.  The first: Physiological needs such as: salary, bonus or working condition. The second: the safety needs, such as: safe job environment, job security or health cover. The third, social needs, such as  union and team work. The next is self esteem, such as getting an award, medal, certificate or any other recognisition. Then the last is self actualization, for example is by providing an opportunity to share knowledge, skills and eprerience. The evaluation of this theory are: there is no spiritual needs as human basic needs is a main weakness of this theory. Then it is possible that different level of  needs  have to be satisfied in the same time, or not in hierarchy level or, not always have to be fulfilled in order. The next motivation theory is an Expectancy Theory. This theory is based on three main factors. The first factor is: English teachers will be motivated to work harder if they have a good perception to their own competences in accordance with their job. The second, individual motivation depends on the rewards given when they finish a  particular job. Finally, it also depends on their regards to the rewards given from the job that they do. Expectancy theory is a good theory, however, it is not easy to be implemented because the principals should provide various types of reward to satisfy the expectation of their English teachers. Considering the strengths and weaknesses of these two theories, it is better to combine both of them in the practice to get more effective results.

  2. Task-Based Language Teaching and Expansive Learning Theory

    Science.gov (United States)

    Robertson, Margaret

    2014-01-01

    Task-Based Language Teaching (TBLT) has become increasingly recognized as an effective pedagogy, but its location in generalized sociocultural theories of learning has led to misunderstandings and criticism. The purpose of this article is to explain the congruence between TBLT and Expansive Learning Theory and the benefits of doing so. The merit…

  3. A density functional theory-based chemical potential equalisation

    Indian Academy of Sciences (India)

    A chemical potential equalisation scheme is proposed for the calculation of these quantities and hence the dipole polarizability within the framework of density functional theory based linear response theory. The resulting polarizability is expressed in terms of the contributions from individual atoms in the molecule. A few ...

  4. Learning Theory Foundations of Simulation-Based Mastery Learning.

    Science.gov (United States)

    McGaghie, William C; Harris, Ilene B

    2018-06-01

    Simulation-based mastery learning (SBML), like all education interventions, has learning theory foundations. Recognition and comprehension of SBML learning theory foundations are essential for thoughtful education program development, research, and scholarship. We begin with a description of SBML followed by a section on the importance of learning theory foundations to shape and direct SBML education and research. We then discuss three principal learning theory conceptual frameworks that are associated with SBML-behavioral, constructivist, social cognitive-and their contributions to SBML thought and practice. We then discuss how the three learning theory frameworks converge in the course of planning, conducting, and evaluating SBML education programs in the health professions. Convergence of these learning theory frameworks is illustrated by a description of an SBML education and research program in advanced cardiac life support. We conclude with a brief coda.

  5. Description of odd-mass nuclei by multi-reference energy density functional methods

    International Nuclear Information System (INIS)

    Bally, B.

    2014-01-01

    In this work, we are interested in the treatment of odd-mass atomic nuclei in energy density functional (EDF) models. More precisely, the goal of this thesis is to develop and to apply to odd-mass nuclei, the theoretical extensions of the EDF method that are: first, the projection technique, and secondly the configuration mixing by the generator coordinate method (GCM). These two extensions are part of the so-called multi-reference energy density functional (MR-EDF) formalism and allow one to take into account, within an EDF context, the 'beyond-mean-field' correlations between the nucleons forming the nucleus. Until now, the MR-EDF formalism has been applied, in its fully-fledged version, only to the calculation of even-even nuclei. In this thesis, we want to demonstrate the applicability of such a model also for the description of odd-mass nuclei. In the first part of this thesis, we describe the theoretical formalism of the EDF models, giving particular attention to the treatment of symmetries within our approach. In the second part of the manuscript, we apply our model to the nucleus 25 Mg and investigate different aspects of the method (e.g. numerical accuracy, convergence of the configuration mixing, comparison to known experimental data). The results obtained in this work are encouraging and demonstrate the potential of our approach for theoretical nuclear structure calculations. (author)

  6. Using Activity Theory as a Base for Investigating Language Teacher ...

    African Journals Online (AJOL)

    Using Activity Theory as a Base for Investigating Language Teacher Education through Digital Technology. ... Log in or Register to get access to full text downloads. ... how the platform has created tensions, contradictions and transformations.

  7. Towards a Theory-Based Framework for Assessing the ...

    African Journals Online (AJOL)

    The theory-based framework attempts to capture ESD's complexity in terms of the ... projects in teacher education institutions in Botswana, a brief description of the ..... How the 'four pillars of learning' relate to education for sustainable human.

  8. Modern Resource-Based Theory(ies)

    DEFF Research Database (Denmark)

    Foss, Nicolai Juul; Stieglitz, Nils

    We survey the resource-based view in strategic management, focusing on its roots in economics. We organize our discussion in terms of the Gavetti and Levinthal distinction between a “high church” and a “low church” resource-based view, and argue that these hitherto rather separate streams...

  9. School-Based Management: Theory and Practice.

    Science.gov (United States)

    George, Patricia, Ed.; Potter, Eugenia Cooper, Ed.

    School-based management (SBM), sometimes called site-based management, is fast becoming the hottest restructuring item in the arsenal of reformers, teachers' unions, governors, and legislators who want to change the traditional ways in which schools and school districts do business. This document comprises three main sections with contributions…

  10. Making Theory Come Alive through Practice-based Design Research

    DEFF Research Database (Denmark)

    Markussen, Thomas; Knutz, Eva; Rind Christensen, Poul

    The aim of this paper is to demonstrate how practice-based design research is able not only to challenge, but also to push toward further development of some of the basic assumpstions in emotion theories as used within design research. In so doing, we wish to increase knolwedge on a central...... epistemological question for design research, namely how practice-based design research can be a vehicle for the construction of new theory for design research....

  11. Application of the Theory of Constraints in Project Based Structures

    OpenAIRE

    Martynas Sarapinas; Vytautas Pranas Sūdžius

    2011-01-01

    The article deals with the application of the Theory of Constraints (TOC) in project management. This article involves a short introduction to TOC as a project management method and deep analysis of project management specialties using the TOC: TOC based project planning, timetable management, tasks synchronization, project control and “relay runner work ethic”. Moreover, the article describes traditional and TOC based project management theories in their comparison, and emphasize the main be...

  12. Ground reaction curve based upon block theory

    International Nuclear Information System (INIS)

    Yow, J.L. Jr.; Goodman, R.E.

    1985-09-01

    Discontinuities in a rock mass can intersect an excavation surface to form discrete blocks (keyblocks) which can be unstable. Once a potentially unstable block is identified, the forces affecting it can be calculated to assess its stability. The normal and shear stresses on each block face before displacement are calculated using elastic theory and are modified in a nonlinear way by discontinuity deformations as the keyblock displaces. The stresses are summed into resultant forces to evaluate block stability. Since the resultant forces change with displacement, successive increments of block movement are examined to see whether the block ultimately becomes stable or fails. Two-dimensional (2D) and three-dimensional (3D) analytic models for the stability of simple pyramidal keyblocks were evaluated. Calculated stability is greater for 3D analyses than for 2D analyses. Calculated keyblock stability increases with larger in situ stress magnitudes, larger lateral stress ratios, and larger shear strengths. Discontinuity stiffness controls blocks displacement more strongly than it does stability itself. Large keyblocks are less stable than small ones, and stability increases as blocks become more slender

  13. An enstrophy-based linear and nonlinear receptivity theory

    Science.gov (United States)

    Sengupta, Aditi; Suman, V. K.; Sengupta, Tapan K.; Bhaumik, Swagata

    2018-05-01

    In the present research, a new theory of instability based on enstrophy is presented for incompressible flows. Explaining instability through enstrophy is counter-intuitive, as it has been usually associated with dissipation for the Navier-Stokes equation (NSE). This developed theory is valid for both linear and nonlinear stages of disturbance growth. A previously developed nonlinear theory of incompressible flow instability based on total mechanical energy described in the work of Sengupta et al. ["Vortex-induced instability of an incompressible wall-bounded shear layer," J. Fluid Mech. 493, 277-286 (2003)] is used to compare with the present enstrophy based theory. The developed equations for disturbance enstrophy and disturbance mechanical energy are derived from NSE without any simplifying assumptions, as compared to other classical linear/nonlinear theories. The theory is tested for bypass transition caused by free stream convecting vortex over a zero pressure gradient boundary layer. We explain the creation of smaller scales in the flow by a cascade of enstrophy, which creates rotationality, in general inhomogeneous flows. Linear and nonlinear versions of the theory help explain the vortex-induced instability problem under consideration.

  14. INVESTIGATION OF FISCAL AND BUDGETARY POLICIES BASED ON ECONOMIC THEORIES

    Directory of Open Access Journals (Sweden)

    EMILIA CAMPEANU

    2011-04-01

    Full Text Available Empirical analysis of fiscal and budgetary policies cannot be achieved without first knowing how they are viewed in the economic theories. This approach is important to indicate the position and implications of fiscal and budgetary policy tools in the economic theory considering their major differences. Therefore, the paper aims is to investigate the fiscal and budgetary policies based on economic theories such as neoclassical, Keynesian and neo-Keynesian theory in order to indicate their divergent points. Once known these approaches at the economic theory level is easier to establish the appropriate measures taking into consideration the framing of a country economy in a certain pattern. This work was supported from the European Social Fund through Sectoral Operational Programme Human Resources Development 2007-2013, project number POSDRU/89/1.5/S/59184 „Performance and excellence in postdoctoral research in Romanian economics science domain” (contract no. 0501/01.11.2010.

  15. Understanding women's mammography intentions: a theory-based investigation.

    Science.gov (United States)

    Naito, Mikako; O'Callaghan, Frances V; Morrissey, Shirley

    2009-01-01

    The present study compared the utility of two models (the Theory of Planned Behavior and Protection Motivation Theory) in identifying factors associated with intentions to undertake screening mammography, before and after an intervention. The comparison was made between the unique components of the two models. The effect of including implementation intentions was also investigated. Two hundred and fifty-one women aged 37 to 69 years completed questionnaires at baseline and following the delivery of a standard (control) or a protection motivation theory-based informational intervention. Hierarchical multiple regressions indicated that theory of planned behavior variables were associated with mammography intentions. Results also showed that inclusion of implementation intention in the model significantly increased the association with mammography intentions. The findings suggest that future interventions aiming to increase screening mammography participation should focus on the theory of planned behavior variables and that implementation intention should also be targeted.

  16. Dynamical theory of subconstituents based on ternary algebras

    International Nuclear Information System (INIS)

    Bars, I.; Guenaydin, M.

    1980-01-01

    We propose a dynamical theory of possible fundamental constituents of matter. Our scheme is based on (super) ternary algebras which are building blocks of Lie (super) algebras. Elementary fields, called ''ternons,'' are associated with the elements of a (super) ternary algebra. Effective gauge bosons, ''quarks,'' and ''leptons'' are constructed as composite fields from ternons. We propose two- and four-dimensional (super) ternon theories whose structures are closely related to CP/sub N/ and Yang-Mills theories and their supersymmetric extensions. We conjecture that at large distances (low energies) the ternon theories dynamically produce effective gauge theories and thus may be capable of explaining the present particle-physics phenomenology. Such a scenario is valid in two dimensions

  17. Playing styles based on experiential learning theory

    NARCIS (Netherlands)

    Bontchev, Boyan; Vassileva, Dessislava; Aleksieva-Petrova, Adelina; Petrov, Milen

    2018-01-01

    In recent years, many researchers have reported positive outcomes and effects from applying computer games to the educational process. The main preconditions for an effective game-based learning process include the presence of high learning interest and the desire to study hard. Therefore,

  18. A Unifying Theory of Value Based Management

    OpenAIRE

    Weaver, Samuel C.; Weston, J. Fred

    2003-01-01

    We identify four alternative performance metrics used in value based management (VBM). (1) Basic is an intrinsic value analysis (IVA), the discounted cash flow (DCF) methodology. (2) We show that this framework will be consistent with returns to shareholder (RTS, capital gains plus dividends) measured over appropriate time horizons. (3) Economic profit (EP) [also called economic value added (EVA®)] takes from the DCF free cash flow valuation, net operating profits after taxes (NOPAT), divide...

  19. Prototype Theory Based Feature Representation for PolSAR Images

    OpenAIRE

    Huang Xiaojing; Yang Xiangli; Huang Pingping; Yang Wen

    2016-01-01

    This study presents a new feature representation approach for Polarimetric Synthetic Aperture Radar (PolSAR) image based on prototype theory. First, multiple prototype sets are generated using prototype theory. Then, regularized logistic regression is used to predict similarities between a test sample and each prototype set. Finally, the PolSAR image feature representation is obtained by ensemble projection. Experimental results of an unsupervised classification of PolSAR images show that our...

  20. Action-Based Jurisprudence: Praxeological Legal Theory in Relation to Economic Theory, Ethics, and Legal Practice

    Directory of Open Access Journals (Sweden)

    Konrad Graf

    2011-08-01

    Full Text Available Action-based legal theory is a discrete branch of praxeology and the basis of an emerging school of jurisprudence related to, but distinct from, natural law. Legal theory and economic theory share content that is part of praxeology itself: the action axiom, the a priori of argumentation, universalizable property theory, and counterfactual-deductive methodology. Praxeological property-norm justification is separate from the strictly ethical “ought” question of selecting ends in an action context. Examples of action-based jurisprudence are found in existing “Austro-libertarian” literature. Legal theory and legal practice must remain distinct and work closely together if justice is to be found in real cases. Legal theorizing was shaped in religious ethical contexts, which contributed to confused field boundaries between law and ethics. The carrot and stick influence of rulers on theorists has distorted conventional economics and jurisprudence in particular directions over the course of centuries. An action-based approach is relatively immune to such sources of distortion in its methods and conclusions, but has tended historically to be marginalized from conventional institutions for this same reason.

  1. Opera house acoustics based on subjective preference theory

    CERN Document Server

    Ando, Yoichi

    2015-01-01

    This book focuses on opera house acoustics based on subjective preference theory; it targets researchers in acoustics and vision who are working in physics, psychology, and brain physiology. This book helps readers to understand any subjective attributes in relation to objective parameters based on the powerful and workable model of the auditory system. It is reconfirmed here that the well-known Helmholtz theory, which was based on a peripheral model of the auditory system, may not well describe pitch, timbre, and duration as well as the spatial sensations described in this book, nor overall responses such as subjective preference of sound fields and the annoyance of environmental noise.

  2. Evaluating hydrological model performance using information theory-based metrics

    Science.gov (United States)

    The accuracy-based model performance metrics not necessarily reflect the qualitative correspondence between simulated and measured streamflow time series. The objective of this work was to use the information theory-based metrics to see whether they can be used as complementary tool for hydrologic m...

  3. Robust optimization based upon statistical theory.

    Science.gov (United States)

    Sobotta, B; Söhn, M; Alber, M

    2010-08-01

    Organ movement is still the biggest challenge in cancer treatment despite advances in online imaging. Due to the resulting geometric uncertainties, the delivered dose cannot be predicted precisely at treatment planning time. Consequently, all associated dose metrics (e.g., EUD and maxDose) are random variables with a patient-specific probability distribution. The method that the authors propose makes these distributions the basis of the optimization and evaluation process. The authors start from a model of motion derived from patient-specific imaging. On a multitude of geometry instances sampled from this model, a dose metric is evaluated. The resulting pdf of this dose metric is termed outcome distribution. The approach optimizes the shape of the outcome distribution based on its mean and variance. This is in contrast to the conventional optimization of a nominal value (e.g., PTV EUD) computed on a single geometry instance. The mean and variance allow for an estimate of the expected treatment outcome along with the residual uncertainty. Besides being applicable to the target, the proposed method also seamlessly includes the organs at risk (OARs). The likelihood that a given value of a metric is reached in the treatment is predicted quantitatively. This information reveals potential hazards that may occur during the course of the treatment, thus helping the expert to find the right balance between the risk of insufficient normal tissue sparing and the risk of insufficient tumor control. By feeding this information to the optimizer, outcome distributions can be obtained where the probability of exceeding a given OAR maximum and that of falling short of a given target goal can be minimized simultaneously. The method is applicable to any source of residual motion uncertainty in treatment delivery. Any model that quantifies organ movement and deformation in terms of probability distributions can be used as basis for the algorithm. Thus, it can generate dose

  4. Modeling acquaintance networks based on balance theory

    Directory of Open Access Journals (Sweden)

    Vukašinović Vida

    2014-09-01

    Full Text Available An acquaintance network is a social structure made up of a set of actors and the ties between them. These ties change dynamically as a consequence of incessant interactions between the actors. In this paper we introduce a social network model called the Interaction-Based (IB model that involves well-known sociological principles. The connections between the actors and the strength of the connections are influenced by the continuous positive and negative interactions between the actors and, vice versa, the future interactions are more likely to happen between the actors that are connected with stronger ties. The model is also inspired by the social behavior of animal species, particularly that of ants in their colony. A model evaluation showed that the IB model turned out to be sparse. The model has a small diameter and an average path length that grows in proportion to the logarithm of the number of vertices. The clustering coefficient is relatively high, and its value stabilizes in larger networks. The degree distributions are slightly right-skewed. In the mature phase of the IB model, i.e., when the number of edges does not change significantly, most of the network properties do not change significantly either. The IB model was found to be the best of all the compared models in simulating the e-mail URV (University Rovira i Virgili of Tarragona network because the properties of the IB model more closely matched those of the e-mail URV network than the other models

  5. Contraction theory based adaptive synchronization of chaotic systems

    International Nuclear Information System (INIS)

    Sharma, B.B.; Kar, I.N.

    2009-01-01

    Contraction theory based stability analysis exploits the incremental behavior of trajectories of a system with respect to each other. Application of contraction theory provides an alternative way for stability analysis of nonlinear systems. This paper considers the design of a control law for synchronization of certain class of chaotic systems based on backstepping technique. The controller is selected so as to make the error dynamics between the two systems contracting. Synchronization problem with and without uncertainty in system parameters is discussed and necessary stability proofs are worked out using contraction theory. Suitable adaptation laws for unknown parameters are proposed based on the contraction principle. The numerical simulations verify the synchronization of the chaotic systems. Also parameter estimates converge to their true values with the proposed adaptation laws.

  6. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...

  7. Continuing bonds in bereavement: an attachment theory based perspective.

    Science.gov (United States)

    Field, Nigel P; Gao, Beryl; Paderna, Lisa

    2005-05-01

    An attachment theory based perspective on the continuing bond to the deceased (CB) is proposed. The value of attachment theory in specifying the normative course of CB expression and in identifying adaptive versus maladaptive variants of CB expression based on their deviation from this normative course is outlined. The role of individual differences in attachment security on effective versus ineffective use of CB in coping with bereavement also is addressed. Finally, the moderating influence of type of loss (e.g., death of a spouse vs. child), culture, and religion on type of CB expression within an overarching attachment framework is discussed.

  8. Application of the Theory of Constraints in Project Based Structures

    Directory of Open Access Journals (Sweden)

    Martynas Sarapinas

    2011-04-01

    Full Text Available The article deals with the application of the Theory of Constraints (TOC in project management. This article involves a short introduction to TOC as a project management method and deep analysis of project management specialties using the TOC: TOC based project planning, timetable management, tasks synchronization, project control and “relay runner work ethic”. Moreover, the article describes traditional and TOC based project management theories in their comparison, and emphasize the main benefits we received as the results of the study. Article in Lithuanian

  9. Nano-resonator frequency response based on strain gradient theory

    International Nuclear Information System (INIS)

    Miandoab, Ehsan Maani; Yousefi-Koma, Aghil; Pishkenari, Hossein Nejat; Fathi, Mohammad

    2014-01-01

    This paper aims to explore the dynamic behaviour of a nano-resonator under ac and dc excitation using strain gradient theory. To achieve this goal, the partial differential equation of nano-beam vibration is first converted to an ordinary differential equation by the Galerkin projection method and the lumped model is derived. Lumped parameters of the nano-resonator, such as linear and nonlinear springs and damper coefficients, are compared with those of classical theory and it is demonstrated that beams with smaller thickness display greater deviation from classical parameters. Stable and unstable equilibrium points based on classic and non-classical theories are also compared. The results show that, regarding the applied dc voltage, the dynamic behaviours expected by classical and non-classical theories are significantly different, such that one theory predicts the un-deformed shape as the stable condition, while the other theory predicts that the beam will experience bi-stability. To obtain the frequency response of the nano-resonator, a general equation including cubic and quadratic nonlinearities in addition to parametric electrostatic excitation terms is derived, and the analytical solution is determined using a second-order multiple scales method. Based on frequency response analysis, the softening and hardening effects given by two theories are investigated and compared, and it is observed that neglecting the size effect can lead to two completely different predictions in the dynamic behaviour of the resonators. The findings of this article can be helpful in the design and characterization of the size-dependent dynamic behaviour of resonators on small scales. (paper)

  10. Unifying ecology and macroevolution with individual-based theory.

    Science.gov (United States)

    Rosindell, James; Harmon, Luke J; Etienne, Rampal S

    2015-05-01

    A contemporary goal in both ecology and evolutionary biology is to develop theory that transcends the boundary between the two disciplines, to understand phenomena that cannot be explained by either field in isolation. This is challenging because macroevolution typically uses lineage-based models, whereas ecology often focuses on individual organisms. Here, we develop a new parsimonious individual-based theory by adding mild selection to the neutral theory of biodiversity. We show that this model generates realistic phylogenies showing a slowdown in diversification and also improves on the ecological predictions of neutral theory by explaining the occurrence of very common species. Moreover, we find the distribution of individual fitness changes over time, with average fitness increasing at a pace that depends positively on community size. Consequently, large communities tend to produce fitter species than smaller communities. These findings have broad implications beyond biodiversity theory, potentially impacting, for example, invasion biology and paleontology. © 2015 The Authors. Ecology Letters published by John Wiley & Sons Ltd and CNRS.

  11. A Model of Statistics Performance Based on Achievement Goal Theory.

    Science.gov (United States)

    Bandalos, Deborah L.; Finney, Sara J.; Geske, Jenenne A.

    2003-01-01

    Tests a model of statistics performance based on achievement goal theory. Both learning and performance goals affected achievement indirectly through study strategies, self-efficacy, and test anxiety. Implications of these findings for teaching and learning statistics are discussed. (Contains 47 references, 3 tables, 3 figures, and 1 appendix.)…

  12. Toward an Instructionally Oriented Theory of Example-Based Learning

    Science.gov (United States)

    Renkl, Alexander

    2014-01-01

    Learning from examples is a very effective means of initial cognitive skill acquisition. There is an enormous body of research on the specifics of this learning method. This article presents an instructionally oriented theory of example-based learning that integrates theoretical assumptions and findings from three research areas: learning from…

  13. New MPPT algorithm based on hybrid dynamical theory

    KAUST Repository

    Elmetennani, Shahrazed

    2014-11-01

    This paper presents a new maximum power point tracking algorithm based on the hybrid dynamical theory. A multiceli converter has been considered as an adaptation stage for the photovoltaic chain. The proposed algorithm is a hybrid automata switching between eight different operating modes, which has been validated by simulation tests under different working conditions. © 2014 IEEE.

  14. New unified field theory based on the conformal group

    Energy Technology Data Exchange (ETDEWEB)

    Pessa, E [Rome Univ. (Italy). Ist. di Matematica

    1980-10-01

    Based on a six-dimensional generalization of Maxwell's equations, a new unified theory of the electromagnetic and gravitational field is developed. Additional space-time coordinates are interpreted only as mathematical tools in order to obtain a linear realization of the four-dimensional conformal group.

  15. Technical Note: Application of Decision Theory Based Criteria for ...

    African Journals Online (AJOL)

    Technical Note: Application of Decision Theory Based Criteria for Structural Appraisal of a Building during Construction. ... Nigerian Journal of Technology ... reliability of concrete in a structure during construction, a case study of laboratory block for College of Continuing Education, University of Port Harcourt, Rivers State.

  16. Mobile applications for weight management: theory-based content analysis.

    Science.gov (United States)

    Azar, Kristen M J; Lesser, Lenard I; Laing, Brian Y; Stephens, Janna; Aurora, Magi S; Burke, Lora E; Palaniappan, Latha P

    2013-11-01

    The use of smartphone applications (apps) to assist with weight management is increasingly prevalent, but the quality of these apps is not well characterized. The goal of the study was to evaluate diet/nutrition and anthropometric tracking apps based on incorporation of features consistent with theories of behavior change. A comparative, descriptive assessment was conducted of the top-rated free apps in the Health and Fitness category available in the iTunes App Store. Health and Fitness apps (N=200) were evaluated using predetermined inclusion/exclusion criteria and categorized based on commonality in functionality, features, and developer description. Four researchers then evaluated the two most popular apps in each category using two instruments: one based on traditional behavioral theory (score range: 0-100) and the other on the Fogg Behavioral Model (score range: 0-6). Data collection and analysis occurred in November 2012. Eligible apps (n=23) were divided into five categories: (1) diet tracking; (2) healthy cooking; (3) weight/anthropometric tracking; (4) grocery decision making; and (5) restaurant decision making. The mean behavioral theory score was 8.1 (SD=4.2); the mean persuasive technology score was 1.9 (SD=1.7). The top-rated app on both scales was Lose It! by Fitnow Inc. All apps received low overall scores for inclusion of behavioral theory-based strategies. © 2013 American Journal of Preventive Medicine.

  17. Applications of decision theory to test-based decision making

    NARCIS (Netherlands)

    van der Linden, Willem J.

    1987-01-01

    The use of Bayesian decision theory to solve problems in test-based decision making is discussed. Four basic decision problems are distinguished: (1) selection; (2) mastery; (3) placement; and (4) classification, the situation where each treatment has its own criterion. Each type of decision can be

  18. PhysarumSoft: An update based on rough set theory

    Science.gov (United States)

    Schumann, Andrew; Pancerz, Krzysztof

    2017-07-01

    PhysarumSoft is a software tool consisting of two modules developed for programming Physarum machines and simulating Physarum games, respectively. The paper briefly discusses what has been added since the last version released in 2015. New elements in both modules are based on rough set theory. Rough sets are used to model behaviour of Physarum machines and to describe strategy games.

  19. New MPPT algorithm based on hybrid dynamical theory

    KAUST Repository

    Elmetennani, Shahrazed; Laleg-Kirati, Taous-Meriem; Benmansour, K.; Boucherit, M. S.; Tadjine, M.

    2014-01-01

    This paper presents a new maximum power point tracking algorithm based on the hybrid dynamical theory. A multiceli converter has been considered as an adaptation stage for the photovoltaic chain. The proposed algorithm is a hybrid automata switching between eight different operating modes, which has been validated by simulation tests under different working conditions. © 2014 IEEE.

  20. Unifying ecology and macroevolution with individual-based theory

    NARCIS (Netherlands)

    Rosindell, James; Harmon, Luke J.; Etienne, Rampal S.

    A contemporary goal in both ecology and evolutionary biology is to develop theory that transcends the boundary between the two disciplines, to understand phenomena that cannot be explained by either field in isolation. This is challenging because macroevolution typically uses lineage-based models,

  1. Mapping site-based construction workers’ motivation: Expectancy theory approach

    Directory of Open Access Journals (Sweden)

    Parviz Ghoddousi

    2014-03-01

    Full Text Available The aim of this study is to apply a recently proposed model of motivation based on expectancy theory to site-based workers in the construction context and confirm the validity of this model for the construction industry. The study drew upon data from 194 site-based construction workers in Iran to test the proposed model of motivation. To this end, the structural equation modelling (SEM approach based on the confirmatory factor analysis (CFA technique was deployed. The study reveals that the proposed model of expectancy theory incorporating five indicators (i.e. intrinsic instrumentality, extrinsic instrumentality, intrinsic valence, extrinsic valence and expectancy is able to map the process of construction workers’ motivation. Nonetheless, the findings posit that intrinsic indicators could be more effective than extrinsic ones. This proffers the necessity of construction managers placing further focus on intrinsic motivators to motivate workers. 

  2. Mapping site-based construction workers’ motivation: Expectancy theory approach

    Directory of Open Access Journals (Sweden)

    Parviz Ghoddousi

    2014-03-01

    Full Text Available The aim of this study is to apply a recently proposed model of motivation based on expectancy theory to site-based workers in the construction context and confirm the validity of this model for the construction industry. The study drew upon data from 194 site-based construction workers in Iran to test the proposed model of motivation. To this end, the structural equation modelling (SEM approach based on the confirmatory factor analysis (CFA technique was deployed. The study reveals that the proposed model of expectancy theory incorporating five indicators (i.e. intrinsic instrumentality, extrinsic instrumentality, intrinsic valence, extrinsic valence and expectancy is able to map the process of construction workers’ motivation. Nonetheless, the findings posit that intrinsic indicators could be more effective than extrinsic ones. This proffers the necessity of construction managers placing further focus on intrinsic motivators to motivate workers.

  3. Evidence for an expectancy-based theory of avoidance behaviour.

    Science.gov (United States)

    Declercq, Mieke; De Houwer, Jan; Baeyens, Frank

    2008-01-01

    In most studies on avoidance learning, participants receive an aversive unconditioned stimulus after a warning signal is presented, unless the participant performs a particular response. Lovibond (2006) recently proposed a cognitive theory of avoidance learning, according to which avoidance behaviour is a function of both Pavlovian and instrumental conditioning. In line with this theory, we found that avoidance behaviour was based on an integration of acquired knowledge about, on the one hand, the relation between stimuli and, on the other hand, the relation between behaviour and stimuli.

  4. Theory-based Bayesian models of inductive learning and reasoning.

    Science.gov (United States)

    Tenenbaum, Joshua B; Griffiths, Thomas L; Kemp, Charles

    2006-07-01

    Inductive inference allows humans to make powerful generalizations from sparse data when learning about word meanings, unobserved properties, causal relationships, and many other aspects of the world. Traditional accounts of induction emphasize either the power of statistical learning, or the importance of strong constraints from structured domain knowledge, intuitive theories or schemas. We argue that both components are necessary to explain the nature, use and acquisition of human knowledge, and we introduce a theory-based Bayesian framework for modeling inductive learning and reasoning as statistical inferences over structured knowledge representations.

  5. Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

    Czech Academy of Sciences Publication Activity Database

    Bhaskaran-Nair, Kiran; Brabec, Jiří; Apra, E.; van Dam, H. J. J.; Pittner, Jiří

    2012-01-01

    Roč. 137, č. 9 (2012), 094112 ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : multireference methods * molecular applications * Brillouin-Wogner Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  6. A Game Theory Based Solution for Security Challenges in CRNs

    Science.gov (United States)

    Poonam; Nagpal, Chander Kumar

    2018-03-01

    Cognitive radio networks (CRNs) are being envisioned to drive the next generation Ad hoc wireless networks due to their ability to provide communications resilience in continuously changing environments through the use of dynamic spectrum access. Conventionally CRNs are dependent upon the information gathered by other secondary users to ensure the accuracy of spectrum sensing making them vulnerable to security attacks leading to the need of security mechanisms like cryptography and trust. However, a typical cryptography based solution is not a viable security solution for CRNs owing to their limited resources. Effectiveness of trust based approaches has always been, in question, due to credibility of secondary trust resources. Game theory with its ability to optimize in an environment of conflicting interests can be quite a suitable tool to manage an ad hoc network in the presence of autonomous selfish/malevolent/malicious and attacker nodes. The literature contains several theoretical proposals for augmenting game theory in the ad hoc networks without explicit/detailed implementation. This paper implements a game theory based solution in MATLAB-2015 to secure the CRN environment and compares the obtained results with the traditional approaches of trust and cryptography. The simulation result indicates that as the time progresses the game theory performs much better with higher throughput, lower jitter and better identification of selfish/malicious nodes.

  7. Extending Theory-Based Quantitative Predictions to New Health Behaviors.

    Science.gov (United States)

    Brick, Leslie Ann D; Velicer, Wayne F; Redding, Colleen A; Rossi, Joseph S; Prochaska, James O

    2016-04-01

    Traditional null hypothesis significance testing suffers many limitations and is poorly adapted to theory testing. A proposed alternative approach, called Testing Theory-based Quantitative Predictions, uses effect size estimates and confidence intervals to directly test predictions based on theory. This paper replicates findings from previous smoking studies and extends the approach to diet and sun protection behaviors using baseline data from a Transtheoretical Model behavioral intervention (N = 5407). Effect size predictions were developed using two methods: (1) applying refined effect size estimates from previous smoking research or (2) using predictions developed by an expert panel. Thirteen of 15 predictions were confirmed for smoking. For diet, 7 of 14 predictions were confirmed using smoking predictions and 6 of 16 using expert panel predictions. For sun protection, 3 of 11 predictions were confirmed using smoking predictions and 5 of 19 using expert panel predictions. Expert panel predictions and smoking-based predictions poorly predicted effect sizes for diet and sun protection constructs. Future studies should aim to use previous empirical data to generate predictions whenever possible. The best results occur when there have been several iterations of predictions for a behavior, such as with smoking, demonstrating that expected values begin to converge on the population effect size. Overall, the study supports necessity in strengthening and revising theory with empirical data.

  8. A Local Pair Natural Orbital-Based Multireference Mukherjee’s Coupled Cluster Method

    Czech Academy of Sciences Publication Activity Database

    Demel, Ondřej; Pittner, Jiří

    2015-01-01

    Roč. 11, č. 7 (2015), s. 3104-3114 ISSN 1549-9618 R&D Projects: GA ČR GAP208/11/2222; GA ČR(CZ) GJ15-00058Y Institutional support: RVO:61388955 Keywords : ELECTRON CORRELATION METHODS * BRILLOUIN-WIGNER * CONFIGURATION-INTERACTION Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.301, year: 2015

  9. 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

  10. An integrative, experience-based theory of attentional control.

    Science.gov (United States)

    Wilder, Matthew H; Mozer, Michael C; Wickens, Christopher D

    2011-02-09

    Although diverse, theories of visual attention generally share the notion that attention is controlled by some combination of three distinct strategies: (1) exogenous cuing from locally contrasting primitive visual features, such as abrupt onsets or color singletons (e.g., L. Itti, C. Koch, & E. Neiber, 1998), (2) endogenous gain modulation of exogenous activations, used to guide attention to task-relevant features (e.g., V. Navalpakkam & L. Itti, 2007; J. Wolfe, 1994, 2007), and (3) endogenous prediction of likely locations of interest, based on task and scene gist (e.g., A. Torralba, A. Oliva, M. Castelhano, & J. Henderson, 2006). However, little work has been done to synthesize these disparate theories. In this work, we propose a unifying conceptualization in which attention is controlled along two dimensions: the degree of task focus and the contextual scale of operation. Previously proposed strategies-and their combinations-can be viewed as instances of this one mechanism. Thus, this theory serves not as a replacement for existing models but as a means of bringing them into a coherent framework. We present an implementation of this theory and demonstrate its applicability to a wide range of attentional phenomena. The model accounts for key results in visual search with synthetic images and makes reasonable predictions for human eye movements in search tasks involving real-world images. In addition, the theory offers an unusual perspective on attention that places a fundamental emphasis on the role of experience and task-related knowledge.

  11. Theory-Based Stakeholder Evaluation – applied. Competing Stakeholder Theories in the Quality Management of Primary Education

    DEFF Research Database (Denmark)

    Hansen, Morten Balle; Heilesen, J. B.

    In the broader context of evaluation design, this paper examines and compares pros and cons of a theory-based approach to evaluation (TBE) with the Theory-Based Stakeholder evaluation (TSE) model, introduced by Morten Balle Hansen and Evert Vedung (Hansen and Vedung 2010). While most approaches...... to TBE construct one unitary theory of the program (Coryn et al. 2011), the TSE-model emphasizes the importance of keeping theories of diverse stakeholders apart. This paper applies the TSE-model to an evaluation study conducted by the Danish Evaluation Institute (EVA) of the Danish system of quality......-model, as an alternative to traditional program theory evaluation....

  12. Hamiltonian theories quantization based on a probability operator

    International Nuclear Information System (INIS)

    Entral'go, E.E.

    1986-01-01

    The quantization method with a linear reflection of classical coordinate-momentum-time functions Λ(q,p,t) at quantum operators in a space of quantum states ψ, is considered. The probability operator satisfies a system of equations representing the principles of dynamical and canonical correspondences between the classical and quantum theories. The quantization based on a probability operator leads to a quantum theory with a nonnegative joint coordinate-momentum distribution function for any state ψ. The main consequences of quantum mechanics with a probability operator are discussed in comparison with the generally accepted quantum and classical theories. It is shown that a probability operator leads to an appearance of some new notions called ''subquantum'' ones. Hence the quantum theory with a probability operator does not pretend to any complete description of physical reality in terms of classical variables and by this reason contains no problems like Einstein-Podolsky-Rosen paradox. The results of some concrete problems are given: a free particle, a harmonic oscillator, an electron in the Coulomb field. These results give hope on the possibility of an experimental verification of the quantization based on a probability operator

  13. Commitment-based action: Rational choice theory and contrapreferential choice

    Directory of Open Access Journals (Sweden)

    Radovanović Bojana

    2014-01-01

    Full Text Available This paper focuses on Sen’s concept of contrapreferential choice. Sen has developed this concept in order to overcome weaknesses of the rational choice theory. According to rational choice theory a decision-maker can be always seen as someone who maximises utility, and each choice he makes as the one that brings to him the highest level of personal wellbeing. Sen argues that in some situations we chose alternatives that bring us lower level of wellbeing than we could achieve if we had chosen some other alternative available to us. This happens when we base our decisions on moral principles, when we act out of duty. Sen calls such action a commitment-based action. When we act out of commitment we actually neglect our preferences and thus we make a contrapreferential choice, as Sen argues. This paper shows that, contrary to Sen, a commitment-based action can be explained within the framework of rational choice theory. However, when each choice we make can be explained within the framework of rational choice theory, when in everything we do maximisation principle can be loaded, then the variety of our motives and traits is lost, and the explanatory power of the rational choice theory is questionable. [Projekat Ministarstva nauke Republike Srbije, br. 47009: Evropske integracije i društveno-ekonomske promene privrede Srbije na putu ka EU i br. 179015: Izazovi i perspektive strukturnih promena u Srbiji: Strateški pravci ekonomskog razvoja i usklađivanje sa zahtevima EU

  14. Multispectral iris recognition based on group selection and game theory

    Science.gov (United States)

    Ahmad, Foysal; Roy, Kaushik

    2017-05-01

    A commercially available iris recognition system uses only a narrow band of the near infrared spectrum (700-900 nm) while iris images captured in the wide range of 405 nm to 1550 nm offer potential benefits to enhance recognition performance of an iris biometric system. The novelty of this research is that a group selection algorithm based on coalition game theory is explored to select the best patch subsets. In this algorithm, patches are divided into several groups based on their maximum contribution in different groups. Shapley values are used to evaluate the contribution of patches in different groups. Results show that this group selection based iris recognition

  15. A Rolling Element Bearing Fault Diagnosis Approach Based on Multifractal Theory and Gray Relation Theory.

    Science.gov (United States)

    Li, Jingchao; Cao, Yunpeng; Ying, Yulong; Li, Shuying

    2016-01-01

    Bearing failure is one of the dominant causes of failure and breakdowns in rotating machinery, leading to huge economic loss. Aiming at the nonstationary and nonlinear characteristics of bearing vibration signals as well as the complexity of condition-indicating information distribution in the signals, a novel rolling element bearing fault diagnosis method based on multifractal theory and gray relation theory was proposed in the paper. Firstly, a generalized multifractal dimension algorithm was developed to extract the characteristic vectors of fault features from the bearing vibration signals, which can offer more meaningful and distinguishing information reflecting different bearing health status in comparison with conventional single fractal dimension. After feature extraction by multifractal dimensions, an adaptive gray relation algorithm was applied to implement an automated bearing fault pattern recognition. The experimental results show that the proposed method can identify various bearing fault types as well as severities effectively and accurately.

  16. Ensemble method: Community detection based on game theory

    Science.gov (United States)

    Zhang, Xia; Xia, Zhengyou; Xu, Shengwu; Wang, J. D.

    2014-08-01

    Timely and cost-effective analytics over social network has emerged as a key ingredient for success in many businesses and government endeavors. Community detection is an active research area of relevance to analyze online social network. The problem of selecting a particular community detection algorithm is crucial if the aim is to unveil the community structure of a network. The choice of a given methodology could affect the outcome of the experiments because different algorithms have different advantages and depend on tuning specific parameters. In this paper, we propose a community division model based on the notion of game theory, which can combine advantages of previous algorithms effectively to get a better community classification result. By making experiments on some standard dataset, it verifies that our community detection model based on game theory is valid and better.

  17. Route Choice Model Based on Game Theory for Commuters

    Directory of Open Access Journals (Sweden)

    Licai Yang

    2016-06-01

    Full Text Available The traffic behaviours of commuters may cause traffic congestion during peak hours. Advanced Traffic Information System can provide dynamic information to travellers. Due to the lack of timeliness and comprehensiveness, the provided information cannot satisfy the travellers’ needs. Since the assumptions of traditional route choice model based on Expected Utility Theory conflict with the actual situation, a route choice model based on Game Theory is proposed to provide reliable route choice to commuters in actual situation in this paper. The proposed model treats the alternative routes as game players and utilizes the precision of predicted information and familiarity of traffic condition to build a game. The optimal route can be generated considering Nash Equilibrium by solving the route choice game. Simulations and experimental analysis show that the proposed model can describe the commuters’ routine route choice decisionexactly and the provided route is reliable.

  18. Fire and Heat Spreading Model Based on Cellular Automata Theory

    Science.gov (United States)

    Samartsev, A. A.; Rezchikov, A. F.; Kushnikov, V. A.; Ivashchenko, V. A.; Bogomolov, A. S.; Filimonyuk, L. Yu; Dolinina, O. N.; Kushnikov, O. V.; Shulga, T. E.; Tverdokhlebov, V. A.; Fominykh, D. S.

    2018-05-01

    The distinctive feature of the proposed fire and heat spreading model in premises is the reduction of the computational complexity due to the use of the theory of cellular automata with probability rules of behavior. The possibilities and prospects of using this model in practice are noted. The proposed model has a simple mechanism of integration with agent-based evacuation models. The joint use of these models could improve floor plans and reduce the time of evacuation from premises during fires.

  19. Validating the predictions of case-based decision theory

    OpenAIRE

    Radoc, Benjamin

    2015-01-01

    Real-life decision-makers typically do not know all possible outcomes arising from alternative courses of action. Instead, when people face a problem, they may rely on the recollection of their past personal experience: the situation, the action taken, and the accompanying consequence. In addition, the applicability of a past experience in decision-making may depend on how similar the current problem is to situations encountered previously. Case-based decision theory (CBDT), proposed by Itzha...

  20. What Communication Theories Can Teach the Designer of Computer-Based Training.

    Science.gov (United States)

    Larsen, Ronald E.

    1985-01-01

    Reviews characteristics of computer-based training (CBT) that make application of communication theories appropriate and presents principles from communication theory (e.g., general systems theory, symbolic interactionism, rule theories, and interpersonal communication theories) to illustrate how CBT developers can profitably apply them to…

  1. Principle-based concept analysis: intentionality in holistic nursing theories.

    Science.gov (United States)

    Aghebati, Nahid; Mohammadi, Eesa; Ahmadi, Fazlollah; Noaparast, Khosrow Bagheri

    2015-03-01

    This is a report of a principle-based concept analysis of intentionality in holistic nursing theories. A principle-based concept analysis method was used to analyze seven holistic theories. The data included eight books and 31 articles (1998-2011), which were retrieved through MEDLINE and CINAHL. Erickson, Kriger, Parse, Watson, and Zahourek define intentionality as a capacity, a focused consciousness, and a pattern of human being. Rogers and Newman do not explicitly mention intentionality; however, they do explain pattern and consciousness (epistemology). Intentionality has been operationalized as a core concept of nurse-client relationships (pragmatic). The theories are consistent on intentionality as a noun and as an attribute of the person-intentionality is different from intent and intention (linguistic). There is ambiguity concerning the boundaries between intentionality and consciousness (logic). Theoretically, intentionality is an evolutionary capacity to integrate human awareness and experience. Because intentionality is an individualized concept, we introduced it as "a matrix of continuous known changes" that emerges in two forms: as a capacity of human being and as a capacity of transpersonal caring. This study has produced a theoretical definition of intentionality and provides a foundation for future research to further investigate intentionality to better delineate its boundaries. © The Author(s) 2014.

  2. Theory-based practice in a major medical centre.

    Science.gov (United States)

    Alligood, Martha Raile

    2011-11-01

    This project was designed to improve care quality and nursing staff satisfaction. Nursing theory structures thought and action as demonstrated by evidence of improvement in complex health-care settings. Nursing administrators selected Modelling and Role-Modelling (MRM) for the theory-based practice goal in their strategic plan. An action research approach structured implementation of MRM in a 1-year consultation project in 2001-2002. Quality of health care improved according to national quality assessment ratings, as well as patient satisfaction and nurse satisfaction. Modelling and Role-Modelling demonstrated capacity to structure nursing thought and action in patient care in a major medical centre. Uniformity of patient care language was valued by nurses as well as by allied health providers who wished to learn the holistic MRM style of practice. The processes of MRM and action research contributed to project success. A positive health-care change project was carried out in a large medical centre with action research. Introducing MRM theory-based practice was a beneficial decision by nursing administration that improved care and nurse satisfaction. Attention to nursing practice stimulated career development among the nurses to pursue bachelors, masters, and doctoral degrees. © 2011 Blackwell Publishing Ltd.

  3. Quantum game theory based on the Schmidt decomposition

    International Nuclear Information System (INIS)

    Ichikawa, Tsubasa; Tsutsui, Izumi; Cheon, Taksu

    2008-01-01

    We present a novel formulation of quantum game theory based on the Schmidt decomposition, which has the merit that the entanglement of quantum strategies is manifestly quantified. We apply this formulation to 2-player, 2-strategy symmetric games and obtain a complete set of quantum Nash equilibria. Apart from those available with the maximal entanglement, these quantum Nash equilibria are extensions of the Nash equilibria in classical game theory. The phase structure of the equilibria is determined for all values of entanglement, and thereby the possibility of resolving the dilemmas by entanglement in the game of Chicken, the Battle of the Sexes, the Prisoners' Dilemma, and the Stag Hunt, is examined. We find that entanglement transforms these dilemmas with each other but cannot resolve them, except in the Stag Hunt game where the dilemma can be alleviated to a certain degree

  4. [Development and application of component-based Chinese medicine theory].

    Science.gov (United States)

    Zhang, Jun-Hua; Fan, Guan-Wei; Zhang, Han; Fan, Xiao-Hui; Wang, Yi; Liu, Li-Mei; Li, Chuan; Gao, Yue; Gao, Xiu-Mei; Zhang, Bo-Li

    2017-11-01

    Traditional Chinese medicine (TCM) prescription is the main therapies for disease prevention and treatment in Chinese medicine. Following the guidance of the theory of TCM and developing drug by composing prescriptions of TCM materials and pieces, it is a traditional application mode of TCM, and still widely used in clinic. TCM prescription has theoretical advantages and rich clinical application experience in dealing with multi-factor complex diseases, but scientific research is relatively weak. The lack of scientific cognition of the effective substances and mechanism of Chinese medicine leads to insufficient understanding of the efficacy regularity, which affects the stability of effect and hinders the improvement of quality of Chinese medicinal products. Component-based Chinese medicine (CCM) is an innovation based on inheritance, which breaks through the tradition of experience-based prescription and realize the transformation of compatibility from herbal pieces to components. CCM is an important achievement during the research process of modernization of Chinese medicine. Under the support of three national "973" projects, in order to reveal the scientific connotation of the prescription compatibility theory and develop innovative Chinese drugs, we have launched theoretical innovation and technological innovation around the "two relatively clear", and opened up the research field of CCM. CCM is an innovation based on inheritance, breaking through the tradition of experience based prescription, and realizing the transformation from compatibility of herbal pieces to component compatibility, which is an important achievement of the modernization of traditional Chinese medicine. In the past more than 10 years, with the deepening of research and the expansion of application, the theory and methods of CCM and efficacy-oriented compatibility have been continuously improved. The value of CCM is not only in developing new drug, more important is to build a

  5. Forewarning model for water pollution risk based on Bayes theory.

    Science.gov (United States)

    Zhao, Jun; Jin, Juliang; Guo, Qizhong; Chen, Yaqian; Lu, Mengxiong; Tinoco, Luis

    2014-02-01

    In order to reduce the losses by water pollution, forewarning model for water pollution risk based on Bayes theory was studied. This model is built upon risk indexes in complex systems, proceeding from the whole structure and its components. In this study, the principal components analysis is used to screen out index systems. Hydrological model is employed to simulate index value according to the prediction principle. Bayes theory is adopted to obtain posterior distribution by prior distribution with sample information which can make samples' features preferably reflect and represent the totals to some extent. Forewarning level is judged on the maximum probability rule, and then local conditions for proposing management strategies that will have the effect of transforming heavy warnings to a lesser degree. This study takes Taihu Basin as an example. After forewarning model application and vertification for water pollution risk from 2000 to 2009 between the actual and simulated data, forewarning level in 2010 is given as a severe warning, which is well coincide with logistic curve. It is shown that the model is rigorous in theory with flexible method, reasonable in result with simple structure, and it has strong logic superiority and regional adaptability, providing a new way for warning water pollution risk.

  6. Workplace-based assessment: raters' performance theories and constructs.

    Science.gov (United States)

    Govaerts, M J B; Van de Wiel, M W J; Schuwirth, L W T; Van der Vleuten, C P M; Muijtjens, A M M

    2013-08-01

    Weaknesses in the nature of rater judgments are generally considered to compromise the utility of workplace-based assessment (WBA). In order to gain insight into the underpinnings of rater behaviours, we investigated how raters form impressions of and make judgments on trainee performance. Using theoretical frameworks of social cognition and person perception, we explored raters' implicit performance theories, use of task-specific performance schemas and the formation of person schemas during WBA. We used think-aloud procedures and verbal protocol analysis to investigate schema-based processing by experienced (N = 18) and inexperienced (N = 16) raters (supervisor-raters in general practice residency training). Qualitative data analysis was used to explore schema content and usage. We quantitatively assessed rater idiosyncrasy in the use of performance schemas and we investigated effects of rater expertise on the use of (task-specific) performance schemas. Raters used different schemas in judging trainee performance. We developed a normative performance theory comprising seventeen inter-related performance dimensions. Levels of rater idiosyncrasy were substantial and unrelated to rater expertise. Experienced raters made significantly more use of task-specific performance schemas compared to inexperienced raters, suggesting more differentiated performance schemas in experienced raters. Most raters started to develop person schemas the moment they began to observe trainee performance. The findings further our understanding of processes underpinning judgment and decision making in WBA. Raters make and justify judgments based on personal theories and performance constructs. Raters' information processing seems to be affected by differences in rater expertise. The results of this study can help to improve rater training, the design of assessment instruments and decision making in WBA.

  7. A communication-theory based view on telemedical communication.

    Science.gov (United States)

    Schall, Thomas; Roeckelein, Wolfgang; Mohr, Markus; Kampshoff, Joerg; Lange, Tim; Nerlich, Michael

    2003-01-01

    Communication theory based analysis sheds new light on the use of health telematics. This analysis of structures in electronic medical communication shows communicative structures with special features. Current and evolving telemedical applications are analyzed. The methodology of communicational theory (focusing on linguistic pragmatics) is used to compare it with its conventional counterpart. The semiotic model, the roles of partners, the respective message and their relation are discussed. Channels, sender, addressee, and other structural roles are analyzed for different types of electronic medical communication. The communicative processes are shown as mutual, rational action towards a common goal. The types of communication/texts are analyzed in general. Furthermore the basic communicative structures of medical education via internet are presented with their special features. The analysis shows that electronic medical communication has special features compared to everyday communication: A third participant role often is involved: the patient. Messages often are addressed to an unspecified partner or to an unspecified partner within a group. Addressing in this case is (at least partially) role-based. Communication and message often directly (rather than indirectly) influence actions of the participants. Communication often is heavily regulated including legal implications like liability, and more. The conclusion from the analysis is that the development of telemedical applications so far did not sufficiently take communicative structures into consideration. Based on these results recommendations for future developments of telemedical applications/services are given.

  8. Study on thermal wave based on the thermal mass theory

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The conservation equations for heat conduction are established based on the concept of thermal mass.We obtain a general heat conduction law which takes into account the spatial and temporal inertia of thermal mass.The general law introduces a damped thermal wave equation.It reduces to the well-known CV model when the spatial inertia of heat flux and temperature and the temporal inertia of temperature are neglected,which indicates that the CV model only considers the temporal inertia of heat flux.Numerical simulations on the propagation and superposition of thermal waves show that for small thermal perturbation the CV model agrees with the thermal wave equation based on the thermal mass theory.For larger thermal perturbation,however,the physically impossible phenomenon pre-dicted by CV model,i.e.the negative temperature induced by the thermal wave superposition,is eliminated by the general heat conduction law,which demonstrates that the present heat conduction law based on the thermal mass theory is more reasonable.

  9. Study on thermal wave based on the thermal mass theory

    Institute of Scientific and Technical Information of China (English)

    HU RuiFeng; CAO BingYang

    2009-01-01

    The conservation equations for heat conduction are established based on the concept of thermal mass. We obtain a general heat conduction law which takes into account the spatial and temporal inertia of thermal mass. The general law introduces a damped thermal wave equation. It reduces to the well-known CV model when the spatial inertia of heat flux and temperature and the temporal inertia of temperature are neglected, which indicates that the CV model only considers the temporal inertia of heat flux. Numerical simulations on the propagation and superposition of thermal waves show that for small thermal perturbation the CV model agrees with the thermal wave equation based on the thermal mass theory. For larger thermal perturbation, however, the physically impossible phenomenon pre-dicted by CV model, i.e. the negative temperature induced by the thermal wave superposition, is eliminated by the general heat conduction law, which demonstrates that the present heat conduction law based on the thermal mass theory is more reasonable.

  10. Game Theory and Risk-Based Levee System Design

    Science.gov (United States)

    Hui, R.; Lund, J. R.; Madani, K.

    2014-12-01

    Risk-based analysis has been developed for optimal levee design for economic efficiency. Along many rivers, two levees on opposite riverbanks act as a simple levee system. Being rational and self-interested, land owners on each river bank would tend to independently optimize their levees with risk-based analysis, resulting in a Pareto-inefficient levee system design from the social planner's perspective. Game theory is applied in this study to analyze decision making process in a simple levee system in which the land owners on each river bank develop their design strategies using risk-based economic optimization. For each land owner, the annual expected total cost includes expected annual damage cost and annualized construction cost. The non-cooperative Nash equilibrium is identified and compared to the social planner's optimal distribution of flood risk and damage cost throughout the system which results in the minimum total flood cost for the system. The social planner's optimal solution is not feasible without appropriate level of compensation for the transferred flood risk to guarantee and improve conditions for all parties. Therefore, cooperative game theory is then employed to develop an economically optimal design that can be implemented in practice. By examining the game in the reversible and irreversible decision making modes, the cost of decision making myopia is calculated to underline the significance of considering the externalities and evolution path of dynamic water resource problems for optimal decision making.

  11. Application of the heuristically based GPT theory to termohydraulic problems

    International Nuclear Information System (INIS)

    Alvim, A.C.M.

    1988-01-01

    Application of heuristically based generalized perturbation theory (GPT) to the thermohydraulic (generally nonlinear) field is here illustrated. After a short description of the general methodology, the (linear) equations governing the importance function relevant to a generic multichannel problem are derived, within the physical model adopted in the COBRA IV-I Code. These equations are put in a form which should benefit of the calculational scheme of the original COBRA Code in the sense that only minor changes of it (mostly implying physical constants and source terms redefinitions) should be necessary for their solutions. (author) [pt

  12. Transportation optimization with fuzzy trapezoidal numbers based on possibility theory.

    Science.gov (United States)

    He, Dayi; Li, Ran; Huang, Qi; Lei, Ping

    2014-01-01

    In this paper, a parametric method is introduced to solve fuzzy transportation problem. Considering that parameters of transportation problem have uncertainties, this paper develops a generalized fuzzy transportation problem with fuzzy supply, demand and cost. For simplicity, these parameters are assumed to be fuzzy trapezoidal numbers. Based on possibility theory and consistent with decision-makers' subjectiveness and practical requirements, the fuzzy transportation problem is transformed to a crisp linear transportation problem by defuzzifying fuzzy constraints and objectives with application of fractile and modality approach. Finally, a numerical example is provided to exemplify the application of fuzzy transportation programming and to verify the validity of the proposed methods.

  13. Analytical modal diffusion theory based on flux separability

    International Nuclear Information System (INIS)

    Segev, M.

    1987-01-01

    The theory provides for an iterative solution of the mathematical problem of generating the assembly-wise power distribution in a LWR through the solution of the 2-group, multidimensional, diffusion equation. The companion problems of assembly pre-homogenization and of pin power reconstruction are of no direct concern presently. The theoretical development stems from the assumption of flux separability in X, Y and Z. The assumption derives from the notion that separability holds in a great part of the interior of a LWR assembly. More important, well accurate power maps are generated with a code based on the theoretical develpment yielded by the basic assumption

  14. Developing a Theory-Based Simulation Educator Resource.

    Science.gov (United States)

    Thomas, Christine M; Sievers, Lisa D; Kellgren, Molly; Manning, Sara J; Rojas, Deborah E; Gamblian, Vivian C

    2015-01-01

    The NLN Leadership Development Program for Simulation Educators 2014 faculty development group identified a lack of a common language/terminology to outline the progression of expertise of simulation educators. The group analyzed Benner's novice-to-expert model and applied its levels of experience to simulation educator growth. It established common operational categories of faculty development and used them to organize resources that support progression toward expertise. The resulting theory-based Simulator Educator Toolkit outlines levels of ability and provides quality resources to meet the diverse needs of simulation educators and team members.

  15. Design of structurally colored surfaces based on scalar diffraction theory

    DEFF Research Database (Denmark)

    Johansen, Villads Egede; Andkjær, Jacob Anders; Sigmund, Ole

    2014-01-01

    In this paper we investigate the possibility of controlling the color and appearance of surfaces simply by modifying the height profile of the surface on a nanoscale level. The applications for such methods are numerous: new design possibilities for high-end products, color engraving on any highly...... reflective surface, paint-free text and coloration, UV-resistant coloring, etc. In this initial study, the main focus is on finding a systematic way to obtain these results. For now the simulation and optimization is based on a simple scalar diffraction theory model. From the results, several design issues...

  16. Size-extensivity Correction for the State-specific Multireference Brillouin-Wigner Coupled-cluster Theory

    Czech Academy of Sciences Publication Activity Database

    Hubač, I.; Pittner, Jiří; Čársky, Petr

    2000-01-01

    Roč. 112, č. 20 (2000), s. 8779-8784 ISSN 0021-9606 R&D Projects: GA ČR GA203/99/D009; GA MŠk OC D9.10; GA AV ČR KSK2040602 Institutional research plan: CEZ:AV0Z4040901 Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.301, year: 2000

  17. Category Theory as a Formal Mathematical Foundation for Model-Based Systems Engineering

    KAUST Repository

    Mabrok, Mohamed; Ryan, Michael J.

    2017-01-01

    In this paper, we introduce Category Theory as a formal foundation for model-based systems engineering. A generalised view of the system based on category theory is presented, where any system can be considered as a category. The objects

  18. Transitional clerkship: an experiential course based on workplace learning theory.

    Science.gov (United States)

    Chittenden, Eva H; Henry, Duncan; Saxena, Varun; Loeser, Helen; O'Sullivan, Patricia S

    2009-07-01

    Starting clerkships is anxiety provoking for medical students. To ease the transition from preclerkship to clerkship curricula, schools offer classroom-based courses which may not be the best model for preparing learners. Drawing from workplace learning theory, the authors developed a seven-day transitional clerkship (TC) in 2007 at the University of California, San Francisco School of Medicine in which students spent half of the course in the hospital, learning routines and logistics of the wards along with their roles and responsibilities as members of ward teams. Twice, they admitted and followed a patient into the next day as part of a shadow team that had no patient-care responsibilities. Dedicated preceptors gave feedback on oral presentations and patient write-ups. Satisfaction with the TC was higher than with the previous year's classroom-based course. TC students felt clearer about their roles and more confident in their abilities as third-year students compared with previous students. TC students continued to rate the transitional course highly after their first clinical rotation. Preceptors were enthusiastic about the course and expressed willingness to commit to future TC preceptorships. The transitional course models an approach to translating workplace learning theory into practice and demonstrates improved satisfaction, better understanding of roles, and increased confidence among new third-year students.

  19. 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.

  20. State-specific Brillouin-Wigner Multireference Coupled Cluster Study of the F.sub.2./sub. Molecule: Assessment of the a Posteriori Size-extensivity Correction

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří; Šmydke, Jan; Čársky, Petr; Hubač, I.

    2001-01-01

    Roč. 547, - (2001), s. 239-244 ISSN 0166-1280 R&D Projects: GA MŠk OC D9.10; GA ČR GA203/99/D009 Institutional research plan: CEZ:AV0Z4040901 Keywords : potential curve * spectroscopic constants of F2 * multireference coupled clusters Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.919, year: 2001

  1. Mechanism of Strain Rate Effect Based on Dislocation Theory

    International Nuclear Information System (INIS)

    Kun, Qin; Shi-Sheng, Hu; Li-Ming, Yang

    2009-01-01

    Based on dislocation theory, we investigate the mechanism of strain rate effect. Strain rate effect and dislocation motion are bridged by Orowan's relationship, and the stress dependence of dislocation velocity is considered as the dynamics relationship of dislocation motion. The mechanism of strain rate effect is then investigated qualitatively by using these two relationships although the kinematics relationship of dislocation motion is absent due to complicated styles of dislocation motion. The process of strain rate effect is interpreted and some details of strain rate effect are adequately discussed. The present analyses agree with the existing experimental results. Based on the analyses, we propose that strain rate criteria rather than stress criteria should be satisfied when a metal is fully yielded at a given strain rate. (condensed matter: structure, mechanical and thermal properties)

  2. Inventory control based on advanced probability theory, an application

    CERN Document Server

    Krever, Maarten; Schorr, Bernd; Wunderink, S

    2005-01-01

    Whenever stock is placed as a buffer between consumption and supply the decision when to replenish the stock is based on uncertain values of future demand and supply variables. Uncertainty exists about the replenishment lead time, about the number of demands and the quantities demanded during this period. We develop a new analytical expression for the reorder point, which is based on the desired service level and three distributions: the distribution of the quantity of single demands during lead time, the distribution of the lengths of time intervals between successive demands, and the distribution of the lead time itself. The distribution of lead time demand is derived from the distributions of individual demand quantities and not from the demand per period. It is not surprising that the resulting formulae for the mean and variance are different from those currently used. The theory developed is also applicable to periodic review systems. The system has been implemented at CERN and enables a significant enha...

  3. FUSION SEGMENTATION METHOD BASED ON FUZZY THEORY FOR COLOR IMAGES

    Directory of Open Access Journals (Sweden)

    J. Zhao

    2017-09-01

    Full Text Available The image segmentation method based on two-dimensional histogram segments the image according to the thresholds of the intensity of the target pixel and the average intensity of its neighborhood. This method is essentially a hard-decision method. Due to the uncertainties when labeling the pixels around the threshold, the hard-decision method can easily get the wrong segmentation result. Therefore, a fusion segmentation method based on fuzzy theory is proposed in this paper. We use membership function to model the uncertainties on each color channel of the color image. Then, we segment the color image according to the fuzzy reasoning. The experiment results show that our proposed method can get better segmentation results both on the natural scene images and optical remote sensing images compared with the traditional thresholding method. The fusion method in this paper can provide new ideas for the information extraction of optical remote sensing images and polarization SAR images.

  4. Plato: A localised orbital based density functional theory code

    Science.gov (United States)

    Kenny, S. D.; Horsfield, A. P.

    2009-12-01

    The Plato package allows both orthogonal and non-orthogonal tight-binding as well as density functional theory (DFT) calculations to be performed within a single framework. The package also provides extensive tools for analysing the results of simulations as well as a number of tools for creating input files. The code is based upon the ideas first discussed in Sankey and Niklewski (1989) [1] with extensions to allow high-quality DFT calculations to be performed. DFT calculations can utilise either the local density approximation or the generalised gradient approximation. Basis sets from minimal basis through to ones containing multiple radial functions per angular momenta and polarisation functions can be used. Illustrations of how the package has been employed are given along with instructions for its utilisation. Program summaryProgram title: Plato Catalogue identifier: AEFC_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_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.: 219 974 No. of bytes in distributed program, including test data, etc.: 1 821 493 Distribution format: tar.gz Programming language: C/MPI and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux and Mac OS X Has the code been vectorised or parallelised?: Yes, up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Nature of problem: Density functional theory study of electronic structure and total energies of molecules, crystals and surfaces. Solution method: Localised orbital based density functional theory. Restrictions: Tight-binding and density functional theory only, no exact exchange. Unusual features: Both atom centred and uniform meshes available

  5. Investigating the Learning-Theory Foundations of Game-Based Learning: A Meta-Analysis

    Science.gov (United States)

    Wu, W-H.; Hsiao, H-C.; Wu, P-L.; Lin, C-H.; Huang, S-H.

    2012-01-01

    Past studies on the issue of learning-theory foundations in game-based learning stressed the importance of establishing learning-theory foundation and provided an exploratory examination of established learning theories. However, we found research seldom addressed the development of the use or failure to use learning-theory foundations and…

  6. Treatment of adolescent sexual offenders: theory-based practice.

    Science.gov (United States)

    Sermabeikian, P; Martinez, D

    1994-11-01

    The treatment of adolescent sexual offenders (ASO) has its theoretical underpinnings in social learning theory. Although social learning theory has been frequently cited in literature, a comprehensive application of this theory, as applied to practice, has not been mapped out. The social learning and social cognitive theories of Bandura appear to be particularly relevant to the group treatment of this population. The application of these theories to practice, as demonstrated in a program model, is discussed as a means of demonstrating how theory-driven practice methods can be developed.

  7. An IDS Alerts Aggregation Algorithm Based on Rough Set Theory

    Science.gov (United States)

    Zhang, Ru; Guo, Tao; Liu, Jianyi

    2018-03-01

    Within a system in which has been deployed several IDS, a great number of alerts can be triggered by a single security event, making real alerts harder to be found. To deal with redundant alerts, we propose a scheme based on rough set theory. In combination with basic concepts in rough set theory, the importance of attributes in alerts was calculated firstly. With the result of attributes importance, we could compute the similarity of two alerts, which will be compared with a pre-defined threshold to determine whether these two alerts can be aggregated or not. Also, time interval should be taken into consideration. Allowed time interval for different types of alerts is computed individually, since different types of alerts may have different time gap between two alerts. In the end of this paper, we apply proposed scheme on DAPRA98 dataset and the results of experiment show that our scheme can efficiently reduce the redundancy of alerts so that administrators of security system could avoid wasting time on useless alerts.

  8. Qigong in Cancer Care: Theory, Evidence-Base, and Practice

    Directory of Open Access Journals (Sweden)

    Penelope Klein

    2017-01-01

    Full Text Available Background: The purpose of this discussion is to explore the theory, evidence base, and practice of Qigong for individuals with cancer. Questions addressed are: What is qigong? How does it work? What evidence exists supporting its practice in integrative oncology? What barriers to wide-spread programming access exist? Methods: Sources for this discussion include a review of scholarly texts, the Internet, PubMed, field observations, and expert opinion. Results: Qigong is a gentle, mind/body exercise integral within Chinese medicine. Theoretical foundations include Chinese medicine energy theory, psychoneuroimmunology, the relaxation response, the meditation effect, and epigenetics. Research supports positive effects on quality of life (QOL, fatigue, immune function and cortisol levels, and cognition for individuals with cancer. There is indirect, scientific evidence suggesting that qigong practice may positively influence cancer prevention and survival. No one Qigong exercise regimen has been established as superior. Effective protocols do have common elements: slow mindful exercise, easy to learn, breath regulation, meditation, emphasis on relaxation, and energy cultivation including mental intent and self-massage. Conclusions: Regular practice of Qigong exercise therapy has the potential to improve cancer-related QOL and is indirectly linked to cancer prevention and survival. Wide-spread access to quality Qigong in cancer care programming may be challenged by the availability of existing programming and work force capacity.

  9. A Lie based 4-dimensional higher Chern-Simons theory

    Science.gov (United States)

    Zucchini, Roberto

    2016-05-01

    We present and study a model of 4-dimensional higher Chern-Simons theory, special Chern-Simons (SCS) theory, instances of which have appeared in the string literature, whose symmetry is encoded in a skeletal semistrict Lie 2-algebra constructed from a compact Lie group with non discrete center. The field content of SCS theory consists of a Lie valued 2-connection coupled to a background closed 3-form. SCS theory enjoys a large gauge and gauge for gauge symmetry organized in an infinite dimensional strict Lie 2-group. The partition function of SCS theory is simply related to that of a topological gauge theory localizing on flat connections with degree 3 second characteristic class determined by the background 3-form. Finally, SCS theory is related to a 3-dimensional special gauge theory whose 2-connection space has a natural symplectic structure with respect to which the 1-gauge transformation action is Hamiltonian, the 2-curvature map acting as moment map.

  10. The Bus Station Spacing Optimization Based on Game Theory

    Directory of Open Access Journals (Sweden)

    Changjiang Zheng

    2015-01-01

    Full Text Available With the development of city, the problem of traffic is becoming more and more serious. Developing public transportation has become the key to solving this problem in all countries. Based on the existing public transit network, how to improve the bus operation efficiency, and reduce the residents transit trip cost has become a simple and effective way to develop the public transportation. Bus stop spacing is an important factor affecting passengers’ travel time. How to set up bus stop spacing has become the key to reducing passengers’ travel time. According to comprehensive traffic survey, theoretical analysis, and summary of urban public transport characteristics, this paper analyzes the impact of bus stop spacing on passenger in-bus time cost and out-bus time cost and establishes in-bus time and out-bus time model. Finally, the paper gets the balance best station spacing by introducing the game theory.

  11. Preservation of information in Fourier theory based deconvolved nuclear spectra

    International Nuclear Information System (INIS)

    Madan, V.K.; Gopalakrishnan, K.R.; Sharma, R.C.; Rattan, S.S.

    1995-01-01

    Nuclear spectroscopy is extremely useful to the internal radiation dosimetry for the estimation of body burden due to gamma emitters. Analysis of nuclear spectra is concerned with the extraction of qualitative and quantitative information embedded in the spectra. A spectral deconvolution method based on Fourier theory is probably the simplest method of deconvolving nuclear spectra. It is proved mathematically that the deconvolution method preserves the qualitative information. It is shown by using simulated spectra and an observed gamma ray spectrum that the method preserves the quantitative information. This may provide a novel approach of information extraction from a deconvolved spectrum. The paper discusses the methodology, mathematical analysis, and the results obtained by deconvolving spectra. (author). 6 refs., 2 tabs

  12. Novel welding image processing method based on fractal theory

    Institute of Scientific and Technical Information of China (English)

    陈强; 孙振国; 肖勇; 路井荣

    2002-01-01

    Computer vision has come into used in the fields of welding process control and automation. In order to improve precision and rapidity of welding image processing, a novel method based on fractal theory has been put forward in this paper. Compared with traditional methods, the image is preliminarily processed in the macroscopic regions then thoroughly analyzed in the microscopic regions in the new method. With which, an image is divided up to some regions according to the different fractal characters of image edge, and the fuzzy regions including image edges are detected out, then image edges are identified with Sobel operator and curved by LSM (Lease Square Method). Since the data to be processed have been decreased and the noise of image has been reduced, it has been testified through experiments that edges of weld seam or weld pool could be recognized correctly and quickly.

  13. A Lyapunov theory based UPFC controller for power flow control

    Energy Technology Data Exchange (ETDEWEB)

    Zangeneh, Ali; Kazemi, Ahad; Hajatipour, Majid; Jadid, Shahram [Center of Excellence for Power Systems Automation and Operation, Iran University of Science and Technology, Tehran (Iran)

    2009-09-15

    Unified power flow controller (UPFC) is the most comprehensive multivariable device among the FACTS controllers. Capability of power flow control is the most important responsibility of UPFC. According to high importance of power flow control in transmission lines, the proper controller should be robust against uncertainty and disturbance and also have suitable settling time. For this purpose, a new controller is designed based on the Lyapunov theory and its stability is also evaluated. The Main goal of this paper is to design a controller which enables a power system to track reference signals precisely and to be robust in the presence of uncertainty of system parameters and disturbances. The performance of the proposed controller is simulated on a two bus test system and compared with a conventional PI controller. The simulation results show the power and accuracy of the proposed controller. (author)

  14. Market Mechanism Design for Renewable Energy based on Risk Theory

    Science.gov (United States)

    Yang, Wu; Bo, Wang; Jichun, Liu; Wenjiao, Zai; Pingliang, Zeng; Haobo, Shi

    2018-02-01

    Generation trading between renewable energy and thermal power is an efficient market means for transforming supply structure of electric power into sustainable development pattern. But the trading is hampered by the output fluctuations of renewable energy and the cost differences between renewable energy and thermal power at present. In this paper, the external environmental cost (EEC) is defined and the EEC is introduced into the generation cost. At same time, the incentive functions of renewable energy and low-emission thermal power are designed, which are decreasing functions of EEC. On these bases, for the market risks caused by the random variability of EEC, the decision-making model of generation trading between renewable energy and thermal power is constructed according to the risk theory. The feasibility and effectiveness of the proposed model are verified by simulation results.

  15. Learning Styles of Baccalaureate Nursing Students and Attitudes toward Theory-Based Nursing.

    Science.gov (United States)

    Laschinger, Heather K.; Boss, Marvin K.

    1989-01-01

    The personal and environmental factors related to undergraduate and post-RN nursing students' attitudes toward theory-based nursing from Kolb's experiential learning theory perspective were investigated. Learning style and environmental press perceptions were found to be related to attitudes toward theory-based nursing. (Author/MLW)

  16. Critical Theory-Based Approaches in Geography Teaching Departments in Turkey

    Science.gov (United States)

    Bilgili, Münür

    2018-01-01

    The aim of this study is to understand the relationships between critical theory-based approaches and its implementations in geography teaching departments in Turkey. Critical theory dates back to 1930s and has developed over time aiming to deal with institutions, culture and society through critical lens. Currently, critical theory-based research…

  17. Evolutionary game theory using agent-based methods.

    Science.gov (United States)

    Adami, Christoph; Schossau, Jory; Hintze, Arend

    2016-12-01

    Evolutionary game theory is a successful mathematical framework geared towards understanding the selective pressures that affect the evolution of the strategies of agents engaged in interactions with potential conflicts. While a mathematical treatment of the costs and benefits of decisions can predict the optimal strategy in simple settings, more realistic settings such as finite populations, non-vanishing mutations rates, stochastic decisions, communication between agents, and spatial interactions, require agent-based methods where each agent is modeled as an individual, carries its own genes that determine its decisions, and where the evolutionary outcome can only be ascertained by evolving the population of agents forward in time. While highlighting standard mathematical results, we compare those to agent-based methods that can go beyond the limitations of equations and simulate the complexity of heterogeneous populations and an ever-changing set of interactors. We conclude that agent-based methods can predict evolutionary outcomes where purely mathematical treatments cannot tread (for example in the weak selection-strong mutation limit), but that mathematics is crucial to validate the computational simulations. Copyright © 2016 Elsevier B.V. All rights reserved.

  18. The Operation Method of Smarter City Based on Ecological Theory

    Science.gov (United States)

    Fan, C.; Fan, H. Y.

    2017-10-01

    As the city and urbanization’s accelerated pace has caused galloping population, the urban framework is extending with increasingly complex social problems. The urban management tends to become complicated and the governance seems more difficult to pursue. exploring the urban management’s new model has attracted local governments’ urgent attention. tcombines the guiding ideology and that management’s practices based on ecological theory, explains the Smarter city Ecology Managementmodel’s formation, makes modern urban management’s comparative analysis and further defines the aforesaid management mode’s conceptual model. Based on the smarter city system theory’s ecological carrying capacity, the author uses mathematical model to prove the coordination relationship between the smarter city Ecology Managementmode’s subsystems, demonstrates that it can improve the urban management’s overall level, emphasizes smarter city management integrity, believing that urban system’s optimization is based on each subsystem being optimized, attaching the importance to elements, structure, and balance between each subsystem and between internal elements. Through the establishment of the smarter city Ecology Managementmodel’s conceptual model and theoretical argumentation, it provides a theoretical basis and technical guidance to that model’s innovation.

  19. A multi-reference filtered-x-Newton narrowband algorithm for active isolation of vibration and experimental investigations

    Science.gov (United States)

    Wang, Chun-yu; He, Lin; Li, Yan; Shuai, Chang-geng

    2018-01-01

    In engineering applications, ship machinery vibration may be induced by multiple rotational machines sharing a common vibration isolation platform and operating at the same time, and multiple sinusoidal components may be excited. These components may be located at frequencies with large differences or at very close frequencies. A multi-reference filtered-x Newton narrowband (MRFx-Newton) algorithm is proposed to control these multiple sinusoidal components in an MIMO (multiple input and multiple output) system, especially for those located at very close frequencies. The proposed MRFx-Newton algorithm can decouple and suppress multiple sinusoidal components located in the same narrow frequency band even though such components cannot be separated from each other by a narrowband-pass filter. Like the Fx-Newton algorithm, good real-time performance is also achieved by the faster convergence speed brought by the 2nd-order inverse secondary-path filter in the time domain. Experiments are also conducted to verify the feasibility and test the performance of the proposed algorithm installed in an active-passive vibration isolation system in suppressing the vibration excited by an artificial source and air compressor/s. The results show that the proposed algorithm not only has comparable convergence rate as the Fx-Newton algorithm but also has better real-time performance and robustness than the Fx-Newton algorithm in active control of the vibration induced by multiple sound sources/rotational machines working on a shared platform.

  20. Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states

    International Nuclear Information System (INIS)

    Das, Madhulita; Chaudhuri, Rajat K; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

    2011-01-01

    In view of its importance in high precision spectroscopy, the valence universal multireference coupled cluster (VU-MRCC) method with four-component relativistic spinors has been applied to compute ionization potential (IP) and excitation energies (EEs) of the indium atom (In I). The effect of electron correlations on the ground and excited state properties is investigated using different levels of CC approximations and basis sets. This study reveals that for a given basis, the linearized VU-MRCC method tends to underestimate the IP, EEs and other one-electron properties such as magnetic hyperfine constant (A) compared to the full blown VU-MRCC method. Our computed results have been compared with available theoretical and experimental data. The IP, EEs, A and oscillator strengths (f) determined at the VU-MRCC level are in excellent agreement with the experimental results. The properties reported here further demonstrate that a basis set with at least h-type of orbitals is ubiquitous to achieve converged results.

  1. Detailed Wave Function Analysis for Multireference Methods: Implementation in the Molcas Program Package and Applications to Tetracene.

    Science.gov (United States)

    Plasser, Felix; Mewes, Stefanie A; Dreuw, Andreas; González, Leticia

    2017-11-14

    High-level multireference computations on electronically excited and charged states of tetracene are performed, and the results are analyzed using an extensive wave function analysis toolbox that has been newly implemented in the Molcas program package. Aside from verifying the strong effect of dynamic correlation, this study reveals an unexpected critical influence of the atomic orbital basis set. It is shown that different polarized double-ζ basis sets produce significantly different results for energies, densities, and overall wave functions, with the best performance obtained for the atomic natural orbital (ANO) basis set by Pierloot et al. Strikingly, the ANO basis set not only reproduces the energies but also performs exceptionally well in terms of describing the diffuseness of the different states and of their attachment/detachment densities. This study, thus, not only underlines the fact that diffuse basis functions are needed for an accurate description of the electronic wave functions but also shows that, at least for the present example, it is enough to include them implicitly in the contraction scheme.

  2. A new approach to sperm preservation based on bioenergetic theory.

    Science.gov (United States)

    Froman, D P; Feltmann, A J

    2010-04-01

    To date, attempts to preserve chicken sperm have been based on a trial-and-error experimental approach. The present work outlines the development of an alternative approach based on empiricism and bioenergetic theory. In previous work, we found fowl sperm motility to be dependent on mitochondrial calcium cycling, phospholipase A(2), and long-chain fatty acids as an endogenous energy source. It is noteworthy that fowl sperm reside within the sperm storage tubules (SST) of the oviduct over an interval of days to weeks after insemination. In this regard, a model for in vivo sperm storage was developed and tested in additional previous research. Sperm penetration of the SST, sperm residence within the SST, and sperm egress from the SST can be explained in terms mitochondrial function. Understanding sperm function and longevity in terms of bioenergetics presented the possibility that sperm could be inactivated by disrupting mitochondrial calcium cycling and could thereby be preserved. However, this possibility also posed a problem: maintenance of the inner membrane potential of the mitochondrion within inactivated sperm. This report describes a series of experiments in which fowl sperm were inactivated by treatment with the calcium chelator tetrasodium 1,2-bis-(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid, and then reactivated by treatment with calcium ions. The effect of tetrasodium 1,2-bis-(o-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid on mitochondrial calcium cycling was confirmed by flow cytometry and confocal microscopy. When treated sperm were cooled to 10 degrees C, inactivated sperm could be reactivated throughout a 5-h storage interval. When stored sperm were held for 3 h before reactivation and insemination, fertility was 88% of the control. Storage did not affect hatchability. In summary, short-term storage was realized by manipulating mitochondrial function. We propose that 1) complex V consumes ATP within inactivated sperm and, by doing so, maintains

  3. Switching theory-based steganographic system for JPEG images

    Science.gov (United States)

    Cherukuri, Ravindranath C.; Agaian, Sos S.

    2007-04-01

    Cellular communications constitute a significant portion of the global telecommunications market. Therefore, the need for secured communication over a mobile platform has increased exponentially. Steganography is an art of hiding critical data into an innocuous signal, which provide answers to the above needs. The JPEG is one of commonly used format for storing and transmitting images on the web. In addition, the pictures captured using mobile cameras are in mostly in JPEG format. In this article, we introduce a switching theory based steganographic system for JPEG images which is applicable for mobile and computer platforms. The proposed algorithm uses the fact that energy distribution among the quantized AC coefficients varies from block to block and coefficient to coefficient. Existing approaches are effective with a part of these coefficients but when employed over all the coefficients they show there ineffectiveness. Therefore, we propose an approach that works each set of AC coefficients with different frame work thus enhancing the performance of the approach. The proposed system offers a high capacity and embedding efficiency simultaneously withstanding to simple statistical attacks. In addition, the embedded information could be retrieved without prior knowledge of the cover image. Based on simulation results, the proposed method demonstrates an improved embedding capacity over existing algorithms while maintaining a high embedding efficiency and preserving the statistics of the JPEG image after hiding information.

  4. MaxEnt-Based Ecological Theory: A Template for Integrated Catchment Theory

    Science.gov (United States)

    Harte, J.

    2017-12-01

    The maximum information entropy procedure (MaxEnt) is both a powerful tool for inferring least-biased probability distributions from limited data and a framework for the construction of complex systems theory. The maximum entropy theory of ecology (METE) describes remarkably well widely observed patterns in the distribution, abundance and energetics of individuals and taxa in relatively static ecosystems. An extension to ecosystems undergoing change in response to disturbance or natural succession (DynaMETE) is in progress. I describe the structure of both the static and the dynamic theory and show a range of comparisons with census data. I then propose a generalization of the MaxEnt approach that could provide a framework for a predictive theory of both static and dynamic, fully-coupled, eco-socio-hydrological catchment systems.

  5. Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

    Science.gov (United States)

    Kurashige, Yuki; Yanai, Takeshi

    2011-09-07

    We present a second-order perturbation theory based on a density matrix renormalization group self-consistent field (DMRG-SCF) reference function. The method reproduces the solution of the complete active space with second-order perturbation theory (CASPT2) when the DMRG reference function is represented by a sufficiently large number of renormalized many-body basis, thereby being named DMRG-CASPT2 method. The DMRG-SCF is able to describe non-dynamical correlation with large active space that is insurmountable to the conventional CASSCF method, while the second-order perturbation theory provides an efficient description of dynamical correlation effects. The capability of our implementation is demonstrated for an application to the potential energy curve of the chromium dimer, which is one of the most demanding multireference systems that require best electronic structure treatment for non-dynamical and dynamical correlation as well as large basis sets. The DMRG-CASPT2/cc-pwCV5Z calculations were performed with a large (3d double-shell) active space consisting of 28 orbitals. Our approach using large-size DMRG reference addressed the problems of why the dissociation energy is largely overestimated by CASPT2 with the small active space consisting of 12 orbitals (3d4s), and also is oversensitive to the choice of the zeroth-order Hamiltonian. © 2011 American Institute of Physics

  6. IMMAN: free software for information theory-based chemometric analysis.

    Science.gov (United States)

    Urias, Ricardo W Pino; Barigye, Stephen J; Marrero-Ponce, Yovani; García-Jacas, César R; Valdes-Martiní, José R; Perez-Gimenez, Facundo

    2015-05-01

    The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN (acronym for Information theory-based CheMoMetrics ANalysis) are presented. This is multi-platform software developed in the Java programming language, designed with a remarkably user-friendly graphical interface for the computation of a collection of information-theoretic functions adapted for rank-based unsupervised and supervised feature selection tasks. A total of 20 feature selection parameters are presented, with the unsupervised and supervised frameworks represented by 10 approaches in each case. Several information-theoretic parameters traditionally used as molecular descriptors (MDs) are adapted for use as unsupervised rank-based feature selection methods. On the other hand, a generalization scheme for the previously defined differential Shannon's entropy is discussed, as well as the introduction of Jeffreys information measure for supervised feature selection. Moreover, well-known information-theoretic feature selection parameters, such as information gain, gain ratio, and symmetrical uncertainty are incorporated to the IMMAN software ( http://mobiosd-hub.com/imman-soft/ ), following an equal-interval discretization approach. IMMAN offers data pre-processing functionalities, such as missing values processing, dataset partitioning, and browsing. Moreover, single parameter or ensemble (multi-criteria) ranking options are provided. Consequently, this software is suitable for tasks like dimensionality reduction, feature ranking, as well as comparative diversity analysis of data matrices. Simple examples of applications performed with this program are presented. A comparative study between IMMAN and WEKA feature selection tools using the Arcene dataset was performed, demonstrating similar behavior. In addition, it is revealed that the use of IMMAN unsupervised feature selection methods improves the performance of both IMMAN and WEKA

  7. Viscosity Prediction of Hydrocarbon Mixtures Based on the Friction Theory

    DEFF Research Database (Denmark)

    Zeberg-Mikkelsen, Claus Kjær; Cisneros, Sergio; Stenby, Erling Halfdan

    2001-01-01

    The application and capability of the friction theory (f-theory) for viscosity predictions of hydrocarbon fluids is further illustrated by predicting the viscosity of binary and ternary liquid mixtures composed of n-alkanes ranging from n-pentane to n-decane for wide ranges of temperature and from...

  8. Complete theory of symmetry-based indicators of band topology.

    Science.gov (United States)

    Po, Hoi Chun; Vishwanath, Ashvin; Watanabe, Haruki

    2017-06-30

    The interplay between symmetry and topology leads to a rich variety of electronic topological phases, protecting states such as the topological insulators and Dirac semimetals. Previous results, like the Fu-Kane parity criterion for inversion-symmetric topological insulators, demonstrate that symmetry labels can sometimes unambiguously indicate underlying band topology. Here we develop a systematic approach to expose all such symmetry-based indicators of band topology in all the 230 space groups. This is achieved by first developing an efficient way to represent band structures in terms of elementary basis states, and then isolating the topological ones by removing the subset of atomic insulators, defined by the existence of localized symmetric Wannier functions. Aside from encompassing all earlier results on such indicators, including in particular the notion of filling-enforced quantum band insulators, our theory identifies symmetry settings with previously hidden forms of band topology, and can be applied to the search for topological materials.Understanding the role of topology in determining electronic structure can lead to the discovery, or appreciation, of materials with exotic properties such as protected surface states. Here, the authors present a framework for identifying topologically distinct band-structures for all 3D space groups.

  9. Cognitive performance modeling based on general systems performance theory.

    Science.gov (United States)

    Kondraske, George V

    2010-01-01

    General Systems Performance Theory (GSPT) was initially motivated by problems associated with quantifying different aspects of human performance. It has proved to be invaluable for measurement development and understanding quantitative relationships between human subsystem capacities and performance in complex tasks. It is now desired to bring focus to the application of GSPT to modeling of cognitive system performance. Previous studies involving two complex tasks (i.e., driving and performing laparoscopic surgery) and incorporating measures that are clearly related to cognitive performance (information processing speed and short-term memory capacity) were revisited. A GSPT-derived method of task analysis and performance prediction termed Nonlinear Causal Resource Analysis (NCRA) was employed to determine the demand on basic cognitive performance resources required to support different levels of complex task performance. This approach is presented as a means to determine a cognitive workload profile and the subsequent computation of a single number measure of cognitive workload (CW). Computation of CW may be a viable alternative to measuring it. Various possible "more basic" performance resources that contribute to cognitive system performance are discussed. It is concluded from this preliminary exploration that a GSPT-based approach can contribute to defining cognitive performance models that are useful for both individual subjects and specific groups (e.g., military pilots).

  10. Statistical lamb wave localization based on extreme value theory

    Science.gov (United States)

    Harley, Joel B.

    2018-04-01

    Guided wave localization methods based on delay-and-sum imaging, matched field processing, and other techniques have been designed and researched to create images that locate and describe structural damage. The maximum value of these images typically represent an estimated damage location. Yet, it is often unclear if this maximum value, or any other value in the image, is a statistically significant indicator of damage. Furthermore, there are currently few, if any, approaches to assess the statistical significance of guided wave localization images. As a result, we present statistical delay-and-sum and statistical matched field processing localization methods to create statistically significant images of damage. Our framework uses constant rate of false alarm statistics and extreme value theory to detect damage with little prior information. We demonstrate our methods with in situ guided wave data from an aluminum plate to detect two 0.75 cm diameter holes. Our results show an expected improvement in statistical significance as the number of sensors increase. With seventeen sensors, both methods successfully detect damage with statistical significance.

  11. Fowler Nordheim theory of carbon nanotube based field emitters

    Energy Technology Data Exchange (ETDEWEB)

    Parveen, Shama; Kumar, Avshish [Department of Physics, Jamia Millia Islamia (Central University), New Delhi (India); Husain, Samina [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia (Central University), New Delhi (India); Husain, Mushahid, E-mail: mush_reslab@rediffmail.com [Department of Physics, Jamia Millia Islamia (Central University), New Delhi (India)

    2017-01-15

    Field emission (FE) phenomena are generally explained in the frame-work of Fowler Nordheim (FN) theory which was given for flat metal surfaces. In this work, an effort has been made to present the field emission mechanism in carbon nanotubes (CNTs) which have tip type geometry at nanoscale. High aspect ratio of CNTs leads to large field enhancement factor and lower operating voltages because the electric field strength in the vicinity of the nanotubes tip can be enhanced by thousand times. The work function of nanostructure by using FN plot has been calculated with reverse engineering. With the help of modified FN equation, an important formula for effective emitting area (active area for emission of electrons) has been derived and employed to calculate the active emitting area for CNT field emitters. Therefore, it is of great interest to present a state of art study on the complete solution of FN equation for CNTs based field emitter displays. This manuscript will also provide a better understanding of calculation of different FE parameters of CNTs field emitters using FN equation.

  12. STUDENTS’ GEOMETRIC THINKING BASED ON VAN HIELE’S THEORY

    Directory of Open Access Journals (Sweden)

    Harina Fitriyani

    2018-02-01

    Full Text Available The current study aims to identify the development level of students’ geometric thinking in mathematics education department, Universitas Ahmad Dahlan based on van Hiele’s theory. This is a descriptive qualitative research with the respondents as many as 129 students. In addition to researchers, the instrument used in this study is a test consisting of 25 items multiple choice questions. The data is analyzed by using Milles and Huberman model. The result shows that there were 30,65% of students in pre-visualization level, 21,51% of students in visualizes level, and 29,03% of students in analyze level, 16,67% of students in informal deduction level, 2,15% of students in deduction level, and 0,00% of student in rigor level. Furthermore, findings indicated a transition level among development levels of geometric thinking in pre-analyze, pre-informal deduction, pre-deduction, and pre-rigor that were 20%; 13,44%; 6,45%; 1,08% respectively. The other findings were 40,32% of students were difficult to determine and 4,3% of students cannot be identified.

  13. Feature extraction algorithm for space targets based on fractal theory

    Science.gov (United States)

    Tian, Balin; Yuan, Jianping; Yue, Xiaokui; Ning, Xin

    2007-11-01

    In order to offer a potential for extending the life of satellites and reducing the launch and operating costs, satellite servicing including conducting repairs, upgrading and refueling spacecraft on-orbit become much more frequently. Future space operations can be more economically and reliably executed using machine vision systems, which can meet real time and tracking reliability requirements for image tracking of space surveillance system. Machine vision was applied to the research of relative pose for spacecrafts, the feature extraction algorithm was the basis of relative pose. In this paper fractal geometry based edge extraction algorithm which can be used in determining and tracking the relative pose of an observed satellite during proximity operations in machine vision system was presented. The method gets the gray-level image distributed by fractal dimension used the Differential Box-Counting (DBC) approach of the fractal theory to restrain the noise. After this, we detect the consecutive edge using Mathematical Morphology. The validity of the proposed method is examined by processing and analyzing images of space targets. The edge extraction method not only extracts the outline of the target, but also keeps the inner details. Meanwhile, edge extraction is only processed in moving area to reduce computation greatly. Simulation results compared edge detection using the method which presented by us with other detection methods. The results indicate that the presented algorithm is a valid method to solve the problems of relative pose for spacecrafts.

  14. System of marketing deciding support based on game theory

    Directory of Open Access Journals (Sweden)

    Gordana Dukić

    2008-12-01

    Full Text Available Quantitative methods and models can be applied in numerous spheres of marketing deciding. The choice of optimal strategy in product advertising is one of the problems that the marketing-management often meets. The use of models developed within the framework of game theory makes significantly easier to find out the solutions of conflict situations that appear herewith. The system of deciding support presented in this work is based on the supposition that two opposed sides take part in the game. With the aim of deciding process promotion, the starting model incorporates computer simulation of percentile changes in the market share that represent elements of payment matrix. The supposition is that the random variables that represent them follow the normal division. It is necessary to carry out the evaluation of their parameters because of relevant data. Information techniques, computer and the adequate program applications take the special position in solving and analysis of the suggested model. This kind of their application represents the basic characteristic of the deciding support system.

  15. Modeling Sensor Reliability in Fault Diagnosis Based on Evidence Theory

    Directory of Open Access Journals (Sweden)

    Kaijuan Yuan

    2016-01-01

    Full Text Available Sensor data fusion plays an important role in fault diagnosis. Dempster–Shafer (D-R evidence theory is widely used in fault diagnosis, since it is efficient to combine evidence from different sensors. However, under the situation where the evidence highly conflicts, it may obtain a counterintuitive result. To address the issue, a new method is proposed in this paper. Not only the statistic sensor reliability, but also the dynamic sensor reliability are taken into consideration. The evidence distance function and the belief entropy are combined to obtain the dynamic reliability of each sensor report. A weighted averaging method is adopted to modify the conflict evidence by assigning different weights to evidence according to sensor reliability. The proposed method has better performance in conflict management and fault diagnosis due to the fact that the information volume of each sensor report is taken into consideration. An application in fault diagnosis based on sensor fusion is illustrated to show the efficiency of the proposed method. The results show that the proposed method improves the accuracy of fault diagnosis from 81.19% to 89.48% compared to the existing methods.

  16. Rutting Prediction in Asphalt Pavement Based on Viscoelastic Theory

    Directory of Open Access Journals (Sweden)

    Nahi Mohammed Hadi

    2016-01-01

    Full Text Available Rutting is one of the most disturbing failures on the asphalt roads due to the interrupting it is caused to the drivers. Predicting of asphalt pavement rutting is essential tool leads to better asphalt mixture design. This work describes a method of predicting the behaviour of various asphalt pavement mixes and linking these to an accelerated performance testing. The objective of this study is to develop a finite element model based on viscoplastic theory for simulating the laboratory testing of asphalt mixes in Hamburg Wheel Rut Tester (HWRT for rutting. The creep parameters C1, C2 and C3 are developed from the triaxial repeated load creep test at 50°C and at a frequency of 1 Hz and the modulus of elasticity and Poisson’ s ratio determined at the same temperature. Viscoelastic model (creep model is adopted using a FE simulator (ANSYS in order to calculate the rutting for various mixes under a uniform loading pressure of 500 kPa. An eight-node with a three Degrees of Freedom (UX, UY, and UZ Element is used for the simulation. The creep model developed for HWRT tester was verified by comparing the predicted rut depths with the measured one and by comparing the rut depth with ABAQUS result from literature. Reasonable agreement can be obtained between the predicted rut depths and the measured one. Moreover, it is found that creep model parameter C1 and C3 have a strong relationship with rutting. It was clear that the parameter C1 strongly influences rutting than the parameter C3. Finally, it can be concluded that creep model based on finite element method can be used as an effective tool to analyse rutting of asphalt pavements.

  17. The Development of an Attribution-Based Theory of Motivation: A History of Ideas

    Science.gov (United States)

    Weiner, Bernard

    2010-01-01

    The history of ideas guiding the development of an attribution-based theory of motivation is presented. These influences include the search for a "grand" theory of motivation (from drive and expectancy/value theory), an attempt to represent how the past may influence the present and the future (as Thorndike accomplished), and the…

  18. Theory-Based Evaluation Meets Ambiguity: The Role of Janus Variables

    Science.gov (United States)

    Dahler-Larsen, Peter

    2018-01-01

    As theory-based evaluation (TBE) engages in situations where multiple stakeholders help develop complex program theory about dynamic phenomena in politically contested settings, it becomes difficult to develop and use program theory without ambiguity. The purpose of this article is to explore ambiguity as a fruitful perspective that helps TBE face…

  19. 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)

  20. Learning Theory Bases of Communicative Methodology and the Notional/Functional Syllabus

    OpenAIRE

    Jacqueline D., Beebe

    1992-01-01

    This paper examines the learning theories that underlie the philosophy and practices known as communicative language teaching methodology. These theories are identified first as a reaction against the behavioristic learning theory of audiolingualism. Approaches to syllabus design based on both the "weak" version of communicative language teaching-learning to use the second language-and the "strong" version-using the second language to learn it-are examined. The application of cognitive theory...

  1. The Application of Carl Rogers' Person-Centered Learning Theory to Web-Based Instruction.

    Science.gov (United States)

    Miller, Christopher T.

    This paper provides a review of literature that relates research on Carl Rogers' person-centered learning theory to Web-based learning. Based on the review of the literature, a set of criteria is described that can be used to determine how closely a Web-based course matches the different components of Rogers' person-centered learning theory. Using…

  2. A curvature theory for discrete surfaces based on mesh parallelity

    KAUST Repository

    Bobenko, Alexander Ivanovich; Pottmann, Helmut; Wallner, Johannes

    2009-01-01

    We consider a general theory of curvatures of discrete surfaces equipped with edgewise parallel Gauss images, and where mean and Gaussian curvatures of faces are derived from the faces' areas and mixed areas. Remarkably these notions are capable

  3. Pre-Game-Theory Based Information Technology (GAMBIT) Study

    National Research Council Canada - National Science Library

    Polk, Charles

    2003-01-01

    .... The generic GAMBIT scenario has been characterized as Dynamic Hierarchical Gaming (DHG). Game theory is not yet ready to fully support analysis of DHG, though existing partial analysis suggests that a full treatment is practical in the midterm...

  4. State variable theories based on Hart's formulation

    Energy Technology Data Exchange (ETDEWEB)

    Korhonen, M.A.; Hannula, S.P.; Li, C.Y.

    1985-01-01

    In this paper a review of the development of a state variable theory for nonelastic deformation is given. The physical and phenomenological basis of the theory and the constitutive equations describing macroplastic, microplastic, anelastic and grain boundary sliding enhanced deformation are presented. The experimental and analytical evaluation of different parameters in the constitutive equations are described in detail followed by a review of the extensive experimental work on different materials. The technological aspects of the state variable approach are highlighted by examples of the simulative and predictive capabilities of the theory. Finally, a discussion of general capabilities, limitations and future developments of the theory and particularly the possible extensions to cover an even wider range of deformation or deformation-related phenomena is presented.

  5. Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid.

    Science.gov (United States)

    Mercier Franco, Luís Fernando; Castier, Marcelo; Economou, Ioannis G

    2017-12-07

    We show that the Zwanzig first-order perturbation theory can be obtained directly from a truncated Taylor series expansion of a two-body perturbation theory and that such truncation provides a more accurate prediction of thermodynamic properties than the full two-body perturbation theory. This unexpected result is explained by the quality of the resulting approximation for the fluid radial distribution function. We prove that the first-order and the two-body perturbation theories are based on different approximations for the fluid radial distribution function. To illustrate the calculations, the square-well fluid is adopted. We develop an analytical expression for the two-body perturbed Helmholtz free energy for the square-well fluid. The equation of state obtained using such an expression is compared to the equation of state obtained from the first-order approximation. The vapor-liquid coexistence curve and the supercritical compressibility factor of a square-well fluid are calculated using both equations of state and compared to Monte Carlo simulation data. Finally, we show that the approximation for the fluid radial distribution function given by the first-order perturbation theory provides closer values to the ones calculated via Monte Carlo simulations. This explains why such theory gives a better description of the fluid thermodynamic behavior.

  6. Justifying Design Decisions with Theory-based Design Principles

    OpenAIRE

    Schermann, Michael;Gehlert, Andreas;Pohl, Klaus;Krcmar, Helmut

    2014-01-01

    Although the role of theories in design research is recognized, we show that little attention has been paid on how to use theories when designing new artifacts. We introduce design principles as a new methodological approach to address this problem. Design principles extend the notion of design rationales that document how a design decision emerged. We extend the concept of design rationales by using theoretical hypotheses to support or object to design decisions. At the example of developing...

  7. Toward a brain-based theory of beauty.

    Science.gov (United States)

    Ishizu, Tomohiro; Zeki, Semir

    2011-01-01

    We wanted to learn whether activity in the same area(s) of the brain correlate with the experience of beauty derived from different sources. 21 subjects took part in a brain-scanning experiment using functional magnetic resonance imaging. Prior to the experiment, they viewed pictures of paintings and listened to musical excerpts, both of which they rated on a scale of 1-9, with 9 being the most beautiful. This allowed us to select three sets of stimuli--beautiful, indifferent and ugly--which subjects viewed and heard in the scanner, and rated at the end of each presentation. The results of a conjunction analysis of brain activity showed that, of the several areas that were active with each type of stimulus, only one cortical area, located in the medial orbito-frontal cortex (mOFC), was active during the experience of musical and visual beauty, with the activity produced by the experience of beauty derived from either source overlapping almost completely within it. The strength of activation in this part of the mOFC was proportional to the strength of the declared intensity of the experience of beauty. We conclude that, as far as activity in the brain is concerned, there is a faculty of beauty that is not dependent on the modality through which it is conveyed but which can be activated by at least two sources--musical and visual--and probably by other sources as well. This has led us to formulate a brain-based theory of beauty.

  8. A prediction method based on grey system theory in equipment condition based maintenance

    International Nuclear Information System (INIS)

    Yan, Shengyuan; Yan, Shengyuan; Zhang, Hongguo; Zhang, Zhijian; Peng, Minjun; Yang, Ming

    2007-01-01

    Grey prediction is a modeling method based on historical or present, known or indefinite information, which can be used for forecasting the development of the eigenvalues of the targeted equipment system and setting up the model by using less information. In this paper, the postulate of grey system theory, which includes the grey generating, the sorts of grey generating and the grey forecasting model, is introduced first. The concrete application process, which includes the grey prediction modeling, grey prediction, error calculation, equal dimension and new information approach, is introduced secondly. Application of a so-called 'Equal Dimension and New Information' (EDNI) technology in grey system theory is adopted in an application case, aiming at improving the accuracy of prediction without increasing the amount of calculation by replacing old data with new ones. The proposed method can provide a new way for solving the problem of eigenvalue data exploding in equal distance effectively, short time interval and real time prediction. The proposed method, which was based on historical or present, known or indefinite information, was verified by the vibration prediction of induced draft fan of a boiler of the Yantai Power Station in China, and the results show that the proposed method based on grey system theory is simple and provides a high accuracy in prediction. So, it is very useful and significant to the controlling and controllable management in safety production. (authors)

  9. Approach to the nonrelatiVistic scattering theory based on the causality superposition and unitarity principles

    International Nuclear Information System (INIS)

    Gajnutdinov, R.Kh.

    1983-01-01

    Possibility is studied to build the nonrelativistic scattering theory on the base of the general physical principles: causality, superposition, and unitarity, making no use of the Schroedinger formalism. The suggested approach is shown to be more general than the nonrelativistic scattering theory based on the Schroedinger equation. The approach is applied to build a model ofthe scattering theory for a system which consists of heavy nonrelativistic particles and a light relativistic particle

  10. Enhancing Student Learning in Knowledge-Based Courses: Integrating Team-Based Learning in Mass Communication Theory Classes

    Science.gov (United States)

    Han, Gang; Newell, Jay

    2014-01-01

    This study explores the adoption of the team-based learning (TBL) method in knowledge-based and theory-oriented journalism and mass communication (J&MC) courses. It first reviews the origin and concept of TBL, the relevant theories, and then introduces the TBL method and implementation, including procedures and assessments, employed in an…

  11. Theory of sampling and its application in tissue based diagnosis

    Directory of Open Access Journals (Sweden)

    Kayser Gian

    2009-02-01

    Full Text Available Abstract Background A general theory of sampling and its application in tissue based diagnosis is presented. Sampling is defined as extraction of information from certain limited spaces and its transformation into a statement or measure that is valid for the entire (reference space. The procedure should be reproducible in time and space, i.e. give the same results when applied under similar circumstances. Sampling includes two different aspects, the procedure of sample selection and the efficiency of its performance. The practical performance of sample selection focuses on search for localization of specific compartments within the basic space, and search for presence of specific compartments. Methods When a sampling procedure is applied in diagnostic processes two different procedures can be distinguished: I the evaluation of a diagnostic significance of a certain object, which is the probability that the object can be grouped into a certain diagnosis, and II the probability to detect these basic units. Sampling can be performed without or with external knowledge, such as size of searched objects, neighbourhood conditions, spatial distribution of objects, etc. If the sample size is much larger than the object size, the application of a translation invariant transformation results in Kriege's formula, which is widely used in search for ores. Usually, sampling is performed in a series of area (space selections of identical size. The size can be defined in relation to the reference space or according to interspatial relationship. The first method is called random sampling, the second stratified sampling. Results Random sampling does not require knowledge about the reference space, and is used to estimate the number and size of objects. Estimated features include area (volume fraction, numerical, boundary and surface densities. Stratified sampling requires the knowledge of objects (and their features and evaluates spatial features in relation to

  12. Models for Theory-Based M.A. and Ph.D. Programs.

    Science.gov (United States)

    Botan, Carl; Vasquez, Gabriel

    1999-01-01

    Presents work accomplished at the 1998 National Communication Association Summer Conference. Outlines reasons for theory-based education in public relations. Presents an integrated model of student outcomes, curriculum, pedagogy, and assessment for theory-based master's and doctoral programs, including assumptions made and rationale for such…

  13. Application of γ field theory based calculation method to the monitoring of mine nuclear radiation environment

    International Nuclear Information System (INIS)

    Du Yanjun; Liu Qingcheng; Liu Hongzhang; Qin Guoxiu

    2009-01-01

    In order to find the feasibility of calculating mine radiation dose based on γ field theory, this paper calculates the γ radiation dose of a mine by means of γ field theory based calculation method. The results show that the calculated radiation dose is of small error and can be used to monitor mine environment of nuclear radiation. (authors)

  14. Automatic Trading Agent. RMT Based Portfolio Theory and Portfolio Selection

    Science.gov (United States)

    Snarska, M.; Krzych, J.

    2006-11-01

    Portfolio theory is a very powerful tool in the modern investment theory. It is helpful in estimating risk of an investor's portfolio, arosen from lack of information, uncertainty and incomplete knowledge of reality, which forbids a perfect prediction of future price changes. Despite of many advantages this tool is not known and not widely used among investors on Warsaw Stock Exchange. The main reason for abandoning this method is a high level of complexity and immense calculations. The aim of this paper is to introduce an automatic decision-making system, which allows a single investor to use complex methods of Modern Portfolio Theory (MPT). The key tool in MPT is an analysis of an empirical covariance matrix. This matrix, obtained from historical data, biased by such a high amount of statistical uncertainty, that it can be seen as random. By bringing into practice the ideas of Random Matrix Theory (RMT), the noise is removed or significantly reduced, so the future risk and return are better estimated and controlled. These concepts are applied to the Warsaw Stock Exchange Simulator {http://gra.onet.pl}. The result of the simulation is 18% level of gains in comparison with respective 10% loss of the Warsaw Stock Exchange main index WIG.

  15. Effective Contraceptive Use: An Exploration of Theory-Based Influences

    Science.gov (United States)

    Peyman, N.; Oakley, D.

    2009-01-01

    The purpose of this study was to explore factors that influence oral contraceptive (OC) use among women in Iran using the Theory of Planned Behavior (TPB) and concept of self-efficacy (SE). The study sample consisted of 360 married OC users, aged 18-49 years recruited at public health centers of Mashhad, 900 km east of Tehran. SE had the strongest…

  16. Videogames, Tools for Change: A Study Based on Activity Theory

    Science.gov (United States)

    Méndez, Laura; Lacasa, Pilar

    2015-01-01

    Introduction: The purpose of this study is to provide a framework for analysis from which to interpret the transformations that take place, as perceived by the participants, when commercial video games are used in the classroom. We will show how Activity Theory (AT) is able to explain and interpret these changes. Method: Case studies are…

  17. Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Lang, Jakub; Saitow, M.; Pittner, Jiří; Neese, F.; Demel, Ondřej

    2018-01-01

    Roč. 14, č. 3 (2018), s. 1370-1382 ISSN 1549-9618 R&D Projects: GA ČR GJ15-00058Y Institutional support: RVO:61388955 Keywords : MULTIREFERENCE PERTURBATION-THEORY * SINGLE-REFERENCE FORMALISM * ELECTRON CORRELATION METHODS Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 5.245, year: 2016

  18. Theory and theory-based models for the pedestal, edge stability and ELMs in tokamaks

    International Nuclear Information System (INIS)

    Guzdar, P.N.; Mahajan, S.M.; Yoshida, Z.; Dorland, W.; Rogers, B.N.; Bateman, G.; Kritz, A.H.; Pankin, A.; Voitsekhovitch, I.; Onjun, T.; Snyder, S.

    2005-01-01

    Theories for equilibrium and stability of H-modes, and models for use within integrated modeling codes with the objective of predicting the height, width and shape of the pedestal at the edge of H-mode plasmas in tokamaks, as well as the onset and frequency of Edge Localized Modes (ELMs), are developed. A theory model for relaxed plasma states with flow, which uses two-fluid Hall-MHD equations, predicts that the natural scale length of the pedestal is the ion skin depth and the pedestal width is larger than the ion poloidal gyro-radius, in agreement with experimental observations. Computations with the GS2 code are used to identify micro-instabilities, such as electron drift waves, that survive the strong flow shear, diamagnetic flows, and magnetic shear that are characteristic of the pedestal. Other instabilities on the pedestal and gyro-radius scale, such as the Kelvin-Helmholtz instability, are also investigated. Time-dependent integrated modeling simulations are used to follow the transition from L-mode to H-mode and the subsequent evolution of ELMs as the heating power is increased. The flow shear stabilization that produces the transport barrier at the edge of the plasma reduces different modes of anomalous transport and, consequently, different channels of transport at different rates. ELM crashes are triggered in the model by pressure-driven ballooning modes or by current-driven peeling modes. (author)

  19. Detection of network attacks based on adaptive resonance theory

    Science.gov (United States)

    Bukhanov, D. G.; Polyakov, V. M.

    2018-05-01

    The paper considers an approach to intrusion detection systems using a neural network of adaptive resonant theory. It suggests the structure of an intrusion detection system consisting of two types of program modules. The first module manages connections of user applications by preventing the undesirable ones. The second analyzes the incoming network traffic parameters to check potential network attacks. After attack detection, it notifies the required stations using a secure transmission channel. The paper describes the experiment on the detection and recognition of network attacks using the test selection. It also compares the obtained results with similar experiments carried out by other authors. It gives findings and conclusions on the sufficiency of the proposed approach. The obtained information confirms the sufficiency of applying the neural networks of adaptive resonant theory to analyze network traffic within the intrusion detection system.

  20. Stability of boundary layer flow based on energy gradient theory

    Science.gov (United States)

    Dou, Hua-Shu; Xu, Wenqian; Khoo, Boo Cheong

    2018-05-01

    The flow of the laminar boundary layer on a flat plate is studied with the simulation of Navier-Stokes equations. The mechanisms of flow instability at external edge of the boundary layer and near the wall are analyzed using the energy gradient theory. The simulation results show that there is an overshoot on the velocity profile at the external edge of the boundary layer. At this overshoot, the energy gradient function is very large which results in instability according to the energy gradient theory. It is found that the transverse gradient of the total mechanical energy is responsible for the instability at the external edge of the boundary layer, which induces the entrainment of external flow into the boundary layer. Within the boundary layer, there is a maximum of the energy gradient function near the wall, which leads to intensive flow instability near the wall and contributes to the generation of turbulence.

  1. THE RESPONSIBILITY TO PROTECT. A JUST WAR THEORY BASED ANALYSIS

    Directory of Open Access Journals (Sweden)

    Andreea IANCU

    2014-11-01

    Full Text Available This paper analyzes the Responsibility to protect principle as the paradigm that reinforces the just war theory in the current international relations. The importance of this analysis is given by the fact that in the current change of source of international conflicts, the Responsibility to protect principle affirms the responsibility of the international community to protect all the citizens of the world. In this context we witness a translation toward a Post-Westphalian international system, which values the individual as a security referent. This article discusses the origins of the responsibility to protect principle and problematizes (discusses the legitimacy of use of violence and force in the current international system. Moreover, the paper analyzes the possible humanization of the current international relations and, simultaneously, the persistency of conflict and warfare in the international system. The conclusion of this research states that the Responsibility to protect principle revises the just war theory by centering it on the individual.

  2. 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.

  3. A Theory of Gender Discrimination Based on the Household

    OpenAIRE

    Patrick Francois

    1996-01-01

    This paper presents a new theory of gender discrimination in competitive labour markets which does not rely on any inherent gender asymmetries. Women and men are organized into households with each having identical household specific human capital. When labour market characteristics (effort, wages) differ, the possibility of mutually beneficial within household trades arises. Discrimination involves occupational segregation with men obtaining high paying efficiency wage jobs and women in piec...

  4. Stability Analysis for Car Following Model Based on Control Theory

    International Nuclear Information System (INIS)

    Meng Xiang-Pei; Li Zhi-Peng; Ge Hong-Xia

    2014-01-01

    Stability analysis is one of the key issues in car-following theory. The stability analysis with Lyapunov function for the two velocity difference car-following model (for short, TVDM) is conducted and the control method to suppress traffic congestion is introduced. Numerical simulations are given and results are consistent with the theoretical analysis. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  5. Buckled graphene: A model study based on density functional theory

    KAUST Repository

    Khan, Yasser

    2010-09-01

    We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.

  6. Buckled graphene: A model study based on density functional theory

    KAUST Repository

    Khan, Yasser; Mukaddam, Mohsin Ahmed; Schwingenschlö gl, Udo

    2010-01-01

    We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. © 2010 Elsevier B.V. All rights reserved.

  7. Meaning-based group counseling for bereavement: bridging theory with emerging trends in intervention research.

    Science.gov (United States)

    MacKinnon, Christopher J; Smith, Nathan Grant; Henry, Melissa; Berish, Mel; Milman, Evgenia; Körner, Annett; Copeland, Laura S; Chochinov, Harvey M; Cohen, S Robin

    2014-01-01

    A growing body of scholarship has evaluated the usefulness of meaning-based theories in the context of bereavement counseling. Although scholars have discussed the application of meaning-based theories for individual practice, there is a lack of inquiry regarding its implications when conducting bereavement support groups. The objective of this article is to bridge meaning-based theories with bereavement group practice, leading to a novel intervention and laying the foundation for future efficacy studies. Building on recommendations specified in the literature, this article outlines the theoretical paradigms and structure of a short-term meaning-based group counseling intervention for uncomplicated bereavement.

  8. Sensitivity theory for reactor burnup analysis based on depletion perturbation theory

    International Nuclear Information System (INIS)

    Yang, Wonsik.

    1989-01-01

    The large computational effort involved in the design and analysis of advanced reactor configurations motivated the development of Depletion Perturbation Theory (DPT) for general fuel cycle analysis. The work here focused on two important advances in the current methods. First, the adjoint equations were developed for using the efficient linear flux approximation to decouple the neutron/nuclide field equations. And second, DPT was extended to the constrained equilibrium cycle which is important for the consistent comparison and evaluation of alternative reactor designs. Practical strategies were formulated for solving the resulting adjoint equations and a computer code was developed for practical applications. In all cases analyzed, the sensitivity coefficients generated by DPT were in excellent agreement with the results of exact calculations. The work here indicates that for a given core response, the sensitivity coefficients to all input parameters can be computed by DPT with a computational effort similar to a single forward depletion calculation

  9. Pathogenesis of chronic pancreatitis: an evidence-based review of past theories and recent developments.

    Science.gov (United States)

    Stevens, Tyler; Conwell, Darwin L; Zuccaro, Gregory

    2004-11-01

    In the past several decades, four prominent theories of chronic pancreatitis pathogenesis have emerged: the toxic-metabolic theory, the oxidative stress hypothesis, the stone and duct obstruction theory, and the necrosis-fibrosis hypothesis. Although these traditional theories are formulated based on compelling scientific observations, substantial contradictory data also exist for each. Furthermore, the basic premises of some of these theories are directly contradictory. Because of the recent scientific progress in the underlying genetic, cellular, and molecular pathophysiology, there have been substantial advances in the understanding of chronic pancreatitis pathogenesis. This paper will provide an evidence-based review and critique of the traditional pathogenic theories, followed by a discussion of the new advances in pancreatic fibrogenesis. Moreover, we will discuss plausible pathogenic sequences applied to each of the known etiologies.

  10. Problem-based learning for technical students on the base TRIZ (theory of inventive problem solving

    Directory of Open Access Journals (Sweden)

    Babenko Oksana

    2016-01-01

    Full Text Available The basis of modern educational technology in teaching is problem-based learning through the use of educational technologies Powerful Thinking - Theory of Inventive Problem Solving (TRIZ, including a systematic approach to the complex organization of independent work of search and research character. Developed by systemic administration of the physical features workshops on the basis TRIZ in the cycle of the natural sciences with the implementation of all aspects of the educational activities - substantive, procedural and motivational. A new model of the physical design of the workshop and its form of organization, which is based on problem-based learning with the use of TRIZ Interactive form of organization of the workshop allows you to get high-quality substantive and personality of the students who have a significant role in the formation of professional competencies and affect the quality of produce practice-oriented specialists.

  11. Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Grell, Gilbert; Bokarev, Sergey I., E-mail: sergey.bokarev@uni-rostock.de; Kühn, Oliver [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany); Winter, Bernd; Seidel, Robert [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Aziz, Emad F. [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Department of Physics, Freie Universität Berlin, Arnimalle 14, D-14159 Berlin (Germany); Aziz, Saadullah G. [Chemistry Department, Faculty of Science, King Abdulaziz University, 21589 Jeddah (Saudi Arabia)

    2015-08-21

    X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method including spin-orbit coupling is used to cope with this challenge and to calculate valence- and core-level photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the [Fe(H{sub 2}O){sub 6}]{sup 2+} complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments.

  12. Collective learning modeling based on the kinetic theory of active particles

    Science.gov (United States)

    Burini, D.; De Lillo, S.; Gibelli, L.

    2016-03-01

    This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom.

  13. A STUDY ON THE SHAREHOLDERS’ BEHAVIOR OF LISTED COMPANIES BASED ON SYMBIOSIS THEORY: A RESEARCH FRAMEWORK

    OpenAIRE

    YANG Songling; LIU Tingli; CHEN Fang

    2014-01-01

    Research on shareholder’s behavior is a hot topic in recent years. Most researches are based on the theory of agency, which proposal that equity decentralization is the major way to solve the conflict problem between large shareholders and minority stockholders. Actually, major shareholder will never be eliminated. This paper introduces the symbiosis theory-ecology theory-to explain the motives and consequences of the behavior of different type shareholders in China’s from a new perspective. ...

  14. The development of training based on the PM leadership theory

    Energy Technology Data Exchange (ETDEWEB)

    Yoshida, Michio [Kumamoto Univ. (Japan). Faculty of Education; Misumi, Jyuji; Yamada, Akira; Misumi, Emiko; Sakurai, Yukihiro; Kinjo, Akira; Matsuda, Ryosuke; Matsuo, Hidehisa; Tokudome, Eiji

    1995-09-01

    The PM leadership theory developed by Misumi, et al., basically identifies leadership behavior in terms of two dimensions, i.e., P(Performance) behavior and M(Maintenance) behavior, and divides it into four types, PM, M, P and pm, depending on the degree to which each of them performs its behavior. Thus, it has been verified that the differences between these types have an effect on various variables, such as subordinates` morale, productivity and reduced incidence of accidents. To be more concrete, it has been consistently found as a result of a number of studies that what brings about the most desirable results in the eyes of organizations is the PM type, followed by M, P and pm in the order mentioned. The most basic premise for the PM theory is that leadership lies not in the leader`s personal traits but in his behavior. Consequently, any leadership type is not `carved in stone`, and it can change according to the leader`s behavior. From this, it follows that leadership can be improved and upgraded. As the PM leadership theory has become well-established, the development research and implementation of leadership training aimed at improving and upgrading leadership was launched. In this paper, the leadership training that is now in progress will be discussed, with particular reference to its purpose, current status of its overall progress and its typical training schedule. That done, the history of development of the leadership training will be reviewed, and at the same time, its effects will be examined on the basis of some empirical data. Also some proposals will be presented concerning the relationship between organizational development and training as well as some problems to be addressed in the future. (author)

  15. The development of training based on the PM leadership theory

    International Nuclear Information System (INIS)

    Yoshida, Michio; Misumi, Jyuji; Yamada, Akira; Misumi, Emiko; Sakurai, Yukihiro; Kinjo, Akira; Matsuda, Ryosuke; Matsuo, Hidehisa; Tokudome, Eiji.

    1995-01-01

    The PM leadership theory developed by Misumi, et al., basically identifies leadership behavior in terms of two dimensions, i.e., P(Performance) behavior and M(Maintenance) behavior, and divides it into four types, PM, M, P and pm, depending on the degree to which each of them performs its behavior. Thus, it has been verified that the differences between these types have an effect on various variables, such as subordinates' morale, productivity and reduced incidence of accidents. To be more concrete, it has been consistently found as a result of a number of studies that what brings about the most desirable results in the eyes of organizations is the PM type, followed by M, P and pm in the order mentioned. The most basic premise for the PM theory is that leadership lies not in the leader's personal traits but in his behavior. Consequently, any leadership type is not 'carved in stone', and it can change according to the leader's behavior. From this, it follows that leadership can be improved and upgraded. As the PM leadership theory has become well-established, the development research and implementation of leadership training aimed at improving and upgrading leadership was launched. In this paper, the leadership training that is now in progress will be discussed, with particular reference to its purpose, current status of its overall progress and its typical training schedule. That done, the history of development of the leadership training will be reviewed, and at the same time, its effects will be examined on the basis of some empirical data. Also some proposals will be presented concerning the relationship between organizational development and training as well as some problems to be addressed in the future. (author)

  16. A Gyrocompass for Maritime Applications Based Upon Multivariable Control Theory

    Directory of Open Access Journals (Sweden)

    Olav Egeland

    1984-10-01

    Full Text Available A gyrocompass is designed using multivariable control theory. The compass can be implemented with an inertial platform or as a strap-down system. Measurement noise caused by vessel acceleration is modeled and feedforward is taken from vessel speed. Though the model is of order 9, it has only three unknown parameters of which one can be chosen a priori. Parameter estimation is discussed. For simulation of the compass, a non-linear surface vessel model with 6 degrees of freedom and wave excitation is used.

  17. Fuel management optimization based on generalized perturbation theory

    International Nuclear Information System (INIS)

    White, J.R.; Chapman, D.M.; Biswas, D.

    1986-01-01

    A general methodology for optimization of assembly shuffling and burnable poison (BP) loadings for LWR reload design has been developed. The uniqueness of this approach lies in the coupling of Generalized Perturbation Theory (GPT) methods and standard Integer Programming (IP) techniques. An IP algorithm can simulate the discrete nature of the fuel shuffling and BP loading problems, and the use of GPT sensitivity data provides an efficient means for modeling the behavior of the important core performance parameters. The method is extremely flexible since the choice of objective function and the number and mix of constraints depend only on the ability of GPT to determine the appropriate sensitivity functions

  18. A curvature theory for discrete surfaces based on mesh parallelity

    KAUST Repository

    Bobenko, Alexander Ivanovich

    2009-12-18

    We consider a general theory of curvatures of discrete surfaces equipped with edgewise parallel Gauss images, and where mean and Gaussian curvatures of faces are derived from the faces\\' areas and mixed areas. Remarkably these notions are capable of unifying notable previously defined classes of surfaces, such as discrete isothermic minimal surfaces and surfaces of constant mean curvature. We discuss various types of natural Gauss images, the existence of principal curvatures, constant curvature surfaces, Christoffel duality, Koenigs nets, contact element nets, s-isothermic nets, and interesting special cases such as discrete Delaunay surfaces derived from elliptic billiards. © 2009 Springer-Verlag.

  19. An Architecturally-Based Theory of Human Sentence Comprehension

    Science.gov (United States)

    1993-12-18

    inintiedkiacy ’\\lthmipli Iifli11rdiac\\ I" al celinal tenect In a ume u1ilt). 0 1lipoltani cominuherusia theories. tC.It ii ItIL Pi I AI ’I P (hi cI~u1)t II I...te d it dion Is, a liiiict on of d(lontIan kiiowleti~ and Il Wu LAC xWpc I.,n ek wt i iili laylaa 7.2 S~atis\\’Ning the real-time11 Constraint 1) \\ll

  20. Social Learning Theory Parenting Intervention Promotes Attachment-Based Caregiving in Young Children: Randomized Clinical Trial

    Science.gov (United States)

    O'Connor, Thomas G.; Matias, Carla; Futh, Annabel; Tantam, Grace; Scott, Stephen

    2013-01-01

    Parenting programs for school-aged children are typically based on behavioral principles as applied in social learning theory. It is not yet clear if the benefits of these interventions extend beyond aspects of the parent-child relationship quality conceptualized by social learning theory. The current study examined the extent to which a social…

  1. Asymptotic theory of generalized estimating equations based on jack-knife pseudo-observations

    DEFF Research Database (Denmark)

    Overgaard, Morten; Parner, Erik Thorlund; Pedersen, Jan

    2017-01-01

    A general asymptotic theory of estimates from estimating functions based on jack-knife pseudo-observations is established by requiring that the underlying estimator can be expressed as a smooth functional of the empirical distribution. Using results in p-variation norms, the theory is applied...

  2. Identifying Barriers in Implementing Outcomes-Based Assessment Program Review: A Grounded Theory Analysis

    Science.gov (United States)

    Bresciani, Marilee J.

    2011-01-01

    The purpose of this grounded theory study was to identify the typical barriers encountered by faculty and administrators when implementing outcomes-based assessment program review. An analysis of interviews with faculty and administrators at nine institutions revealed a theory that faculty and administrators' promotion, tenure (if applicable),…

  3. Brief Instrumental School-Based Mentoring for Middle School Students: Theory and Impact

    Science.gov (United States)

    McQuillin, Samuel D.; Lyons, Michael D.

    2016-01-01

    This study evaluated the efficacy of an intentionally brief school-based mentoring program. This academic goal-focused mentoring program was developed through a series of iterative randomized controlled trials, and is informed by research in social cognitive theory, cognitive dissonance theory, motivational interviewing, and research in academic…

  4. Involving Stakeholders in Programme Theory Specification: Discussion of a Systematic, Consensus-Based Approach

    Science.gov (United States)

    van Urk, Felix; Grant, Sean; Bonell, Chris

    2016-01-01

    The use of explicit programme theory to guide evaluation is widely recommended. However, practitioners and other partnering stakeholders often initiate programmes based on implicit theories, leaving researchers to explicate them before commencing evaluation. The current study aimed to apply a systematic method to undertake this process. We…

  5. Cooperative Learning: Improving University Instruction by Basing Practice on Validated Theory

    Science.gov (United States)

    Johnson, David W.; Johnson, Roger T.; Smith, Karl A.

    2014-01-01

    Cooperative learning is an example of how theory validated by research may be applied to instructional practice. The major theoretical base for cooperative learning is social interdependence theory. It provides clear definitions of cooperative, competitive, and individualistic learning. Hundreds of research studies have validated its basic…

  6. The TEACH Method: An Interactive Approach for Teaching the Needs-Based Theories Of Motivation

    Science.gov (United States)

    Moorer, Cleamon, Jr.

    2014-01-01

    This paper describes an interactive approach for explaining and teaching the Needs-Based Theories of Motivation. The acronym TEACH stands for Theory, Example, Application, Collaboration, and Having Discussion. This method can help business students to better understand and distinguish the implications of Maslow's Hierarchy of Needs,…

  7. Organizational Communication Based on Organizational Justice Theory for Motivating Workers with Different Cultural Values

    OpenAIRE

    山口,生史

    2002-01-01

    This study is based on organizational justice theory. Although organizational justice theory is useful for explaining organizational behavior, it has not focused on motivation, per se. ln this study, the linkage between organizational justice and motivation is explored with the mediating effect of interpersonal communication in an organization (i.e.,organizational communication).

  8. Strong Generative Capacity and the Empirical Base of Linguistic Theory

    Directory of Open Access Journals (Sweden)

    Dennis Ott

    2017-09-01

    Full Text Available This Perspective traces the evolution of certain central notions in the theory of Generative Grammar (GG. The founding documents of the field suggested a relation between the grammar, construed as recursively enumerating an infinite set of sentences, and the idealized native speaker that was essentially equivalent to the relation between a formal language (a set of well-formed formulas and an automaton that recognizes strings as belonging to the language or not. But this early view was later abandoned, when the focus of the field shifted to the grammar's strong generative capacity as recursive generation of hierarchically structured objects as opposed to strings. The grammar is now no longer seen as specifying a set of well-formed expressions and in fact necessarily constructs expressions of any degree of intuitive “acceptability.” The field of GG, however, has not sufficiently acknowledged the significance of this shift in perspective, as evidenced by the fact that (informal and experimentally-controlled observations about string acceptability continue to be treated as bona fide data and generalizations for the theory of GG. The focus on strong generative capacity, it is argued, requires a new discussion of what constitutes valid empirical evidence for GG beyond observations pertaining to weak generation.

  9. Tumour chemotherapy strategy based on impulse control theory.

    Science.gov (United States)

    Ren, Hai-Peng; Yang, Yan; Baptista, Murilo S; Grebogi, Celso

    2017-03-06

    Chemotherapy is a widely accepted method for tumour treatment. A medical doctor usually treats patients periodically with an amount of drug according to empirical medicine guides. From the point of view of cybernetics, this procedure is an impulse control system, where the amount and frequency of drug used can be determined analytically using the impulse control theory. In this paper, the stability of a chemotherapy treatment of a tumour is analysed applying the impulse control theory. The globally stable condition for prescription of a periodic oscillatory chemotherapeutic agent is derived. The permanence of the solution of the treatment process is verified using the Lyapunov function and the comparison theorem. Finally, we provide the values for the strength and the time interval that the chemotherapeutic agent needs to be applied such that the proposed impulse chemotherapy can eliminate the tumour cells and preserve the immune cells. The results given in the paper provide an analytical formula to guide medical doctors to choose the theoretical minimum amount of drug to treat the cancer and prevent harming the patients because of over-treating.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

  10. Computer-based teaching module design: principles derived from learning theories.

    Science.gov (United States)

    Lau, K H Vincent

    2014-03-01

    The computer-based teaching module (CBTM), which has recently gained prominence in medical education, is a teaching format in which a multimedia program serves as a single source for knowledge acquisition rather than playing an adjunctive role as it does in computer-assisted learning (CAL). Despite empirical validation in the past decade, there is limited research into the optimisation of CBTM design. This review aims to summarise research in classic and modern multimedia-specific learning theories applied to computer learning, and to collapse the findings into a set of design principles to guide the development of CBTMs. Scopus was searched for: (i) studies of classic cognitivism, constructivism and behaviourism theories (search terms: 'cognitive theory' OR 'constructivism theory' OR 'behaviourism theory' AND 'e-learning' OR 'web-based learning') and their sub-theories applied to computer learning, and (ii) recent studies of modern learning theories applied to computer learning (search terms: 'learning theory' AND 'e-learning' OR 'web-based learning') for articles published between 1990 and 2012. The first search identified 29 studies, dominated in topic by the cognitive load, elaboration and scaffolding theories. The second search identified 139 studies, with diverse topics in connectivism, discovery and technical scaffolding. Based on their relative representation in the literature, the applications of these theories were collapsed into a list of CBTM design principles. Ten principles were identified and categorised into three levels of design: the global level (managing objectives, framing, minimising technical load); the rhetoric level (optimising modality, making modality explicit, scaffolding, elaboration, spaced repeating), and the detail level (managing text, managing devices). This review examined the literature in the application of learning theories to CAL to develop a set of principles that guide CBTM design. Further research will enable educators to

  11. Harmonious graphics generating based on the 1/f function theory

    International Nuclear Information System (INIS)

    Mao Xia; Xue Yuli; Cheng, L.-L.; Sun Yun

    2007-01-01

    In the 1970s, Richard Voss and John Clarke researched the actual audio physical sound of music. There are three types of noise: white noise, 1/f noise, and Brownian motion noise (1/f 2 ). 1/f noise is found to be most pleasing to human ears. White noise is too random and Brownian noise is too correlated. Similarly, for 2-dimensional sources such as graphics and images, three characteristics of monotonous, harmony and muss are also observed. The 1/f fluctuation theory provides a good way to generate affective signals both for 1-dimensional and 2-dimensional signals. This paper provides an algorithm which can generate affective patterns or graphics and obey the criteria of affective information processing

  12. [Nursing managerial approach: a study based on general management theories].

    Science.gov (United States)

    Fernandes, Marcia Simoni; Spagnol, Carla Aparecida; Trevizan, Maria Auxiliadora; Hayashida, Miyeko

    2003-01-01

    The purpose of this study was to identify nurses managerial conduct in a private maternity hospital located in the interior of the São Paulo state, Brazil. In order to collect data, authors used a questionnaire with 20 propositions related to the work of nurses in the different units of the hospital. Following, authors performed a descriptive statistical analysis of the data. Results showed a tendency toward democratization in the conduct of the nurses investigated as the majority of the responses privileged questions on team work, workers' participation and group development. Also, authors evidenced that great part of the responses did not agree with the propositions about the principles of the Classical Administration Theory.

  13. A queueing theory based model for business continuity in hospitals.

    Science.gov (United States)

    Miniati, R; Cecconi, G; Dori, F; Frosini, F; Iadanza, E; Biffi Gentili, G; Niccolini, F; Gusinu, R

    2013-01-01

    Clinical activities can be seen as results of precise and defined events' succession where every single phase is characterized by a waiting time which includes working duration and possible delay. Technology makes part of this process. For a proper business continuity management, planning the minimum number of devices according to the working load only is not enough. A risk analysis on the whole process should be carried out in order to define which interventions and extra purchase have to be made. Markov models and reliability engineering approaches can be used for evaluating the possible interventions and to protect the whole system from technology failures. The following paper reports a case study on the application of the proposed integrated model, including risk analysis approach and queuing theory model, for defining the proper number of device which are essential to guarantee medical activity and comply the business continuity management requirements in hospitals.

  14. Thermal rectification based on phonon hydrodynamics and thermomass theory

    Directory of Open Access Journals (Sweden)

    Dong Yuan

    2016-06-01

    Full Text Available The thermal diode is the fundamental device for phononics. There are various mechanisms for thermal rectification, e.g. different temperature dependent thermal conductivity of two ends, asymmetric interfacial resistance, and nonlocal behavior of phonon transport in asymmetric structures. The phonon hydrodynamics and thermomass theory treat the heat conduction in a fluidic viewpoint. The phonon gas flowing through the media is characterized by the balance equation of momentum, like the Navier-Stokes equation for fluid mechanics. Generalized heat conduction law thereby contains the spatial acceleration (convection term and the viscous (Laplacian term. The viscous term predicts the size dependent thermal conductivity. Rectification appears due to the MFP supersession of phonons. The convection term also predicts rectification because of the inertia effect, like a gas passing through a nozzle or diffuser.

  15. Simplified theory of plastic zones based on Zarka's method

    CERN Document Server

    Hübel, Hartwig

    2017-01-01

    The present book provides a new method to estimate elastic-plastic strains via a series of linear elastic analyses. For a life prediction of structures subjected to variable loads, frequently encountered in mechanical and civil engineering, the cyclically accumulated deformation and the elastic plastic strain ranges are required. The Simplified Theory of Plastic Zones (STPZ) is a direct method which provides the estimates of these and all other mechanical quantities in the state of elastic and plastic shakedown. The STPZ is described in detail, with emphasis on the fact that not only scientists but engineers working in applied fields and advanced students are able to get an idea of the possibilities and limitations of the STPZ. Numerous illustrations and examples are provided to support the reader's understanding.

  16. Towards Enterprise Integration Performance Assessment based on Category Theory

    Science.gov (United States)

    Mikhnovsky, Victoria; Ormandjieva, Olga

    A major difference between what we refer to as a "well-developed" science, such as civil engineering, and sciences which are less so, like enterprise engineering, is the degree to which nonfunctional requirements, such as performance, are integrated into the design and development process, and satisfaction of those requirements is controlled by theoretically valid measurement procedures. This paper introduces the preliminary results, which are aimed at developing a concise formal framework for enterprise performance modeling, measurement, and control during enterprise integration activities. The novelty of this research consists in employing the mathematical category theory for modeling purposes, an approach that is broad enough to formally capture heterogeneous (structural, functional and nonfunctional) requirements, by, for example, using the constructs from the graphical categorical formal language.

  17. Geometry-based density functional theory an overview

    CERN Document Server

    Schmidt, M

    2003-01-01

    An overview of recent developments and applications of a specific density functional approach that originates from Rosenfeld's fundamental measure theory for hard spheres is given. Model systems that were treated include penetrable spheres that interact with a step function pair potential, the Widom-Rowlinson model, the Asakura-Oosawa colloid-polymer mixture, ternary mixtures of spheres, needles, and globular polymers, hard-body amphiphilic mixtures, fluids in porous media, and random sequential adsorption that describes non-equilibrium processes such as colloidal deposition and random car parking. In these systems various physical phenomena were studied, such as correlations in liquids, freezing and demixing phase behaviour, the properties of fluid interfaces with and without orientational order, and wetting and layering phenomena at walls.

  18. Geometry-based density functional theory: an overview

    Science.gov (United States)

    Schmidt, Matthias

    2003-01-01

    An overview of recent developments and applications of a specific density functional approach that originates from Rosenfeld's fundamental measure theory for hard spheres is given. Model systems that were treated include penetrable spheres that interact with a step function pair potential, the Widom-Rowlinson model, the Asakura-Oosawa colloid-polymer mixture, ternary mixtures of spheres, needles, and globular polymers, hard-body amphiphilic mixtures, fluids in porous media, and random sequential adsorption that describes non-equilibrium processes such as colloidal deposition and random car parking. In these systems various physical phenomena were studied, such as correlations in liquids, freezing and demixing phase behaviour, the properties of fluid interfaces with and without orientational order, and wetting and layering phenomena at walls.

  19. Geometry-based density functional theory: an overview

    International Nuclear Information System (INIS)

    Schmidt, Matthias

    2003-01-01

    An overview of recent developments and applications of a specific density functional approach that originates from Rosenfeld's fundamental measure theory for hard spheres is given. Model systems that were treated include penetrable spheres that interact with a step function pair potential, the Widom-Rowlinson model, the Asakura-Oosawa colloid-polymer mixture, ternary mixtures of spheres, needles, and globular polymers, hard-body amphiphilic mixtures, fluids in porous media, and random sequential adsorption that describes non-equilibrium processes such as colloidal deposition and random car parking. In these systems various physical phenomena were studied, such as correlations in liquids, freezing and demixing phase behaviour, the properties of fluid interfaces with and without orientational order, and wetting and layering phenomena at walls

  20. HRM Model in Tourism, Based on Dialectical Systems Theory

    Directory of Open Access Journals (Sweden)

    Simona Šarotar Žižek

    2015-12-01

    Full Text Available A human resources management (HRM model integrating trends in HRM with trends in tourism into a dialectical system by the Dialectical Systems Theory (DST. HRM strategy, integrated within the tourism organization’s (to’s strategy is implemented through functional strategies helping their users to achieve a requisitely holistic (rh HRM strategy replacing the prevailing one-sided ones. to’s strategy covers: employees (1 planning, (2 acquisition and selection, (3 development and training, (4 diversity management, (5 teamwork and creativity, (6 motivation and rewarding, (7 stress reduction and health, (8 relationships, (9 personal holism, (10 well-being, (11 work and results assessment; etc. Everyone matters; their synergy is crucial. An innovated HRM model for TOS, which applies employees’, organizations’ rh and integrates new knowledge about HRM. HRM belongs to central managers’ tools. Their HRM must be adapted for TOS, where employees are crucial.

  1. Surface Water Quality Evaluation Based on a Game Theory-Based Cloud Model

    Directory of Open Access Journals (Sweden)

    Bing Yang

    2018-04-01

    Full Text Available Water quality evaluation is an essential measure to analyze water quality. However, excessive randomness and fuzziness affect the process of evaluation, thus reducing the accuracy of evaluation. Therefore, this study proposed a cloud model for evaluating the water quality to alleviate this problem. Analytic hierarchy process and entropy theory were used to calculate the subjective weight and objective weight, respectively, and then they were coupled as a combination weight (CW via game theory. The proposed game theory-based cloud model (GCM was then applied to the Qixinggang section of the Beijiang River. The results show that the CW ranks fecal coliform as the most important factor, followed by total nitrogen and total phosphorus, while biochemical oxygen demand and fluoride were considered least important. There were 19 months (31.67% at grade I, 39 months (65.00% at grade II, and one month at grade IV and grade V during 2010–2014. A total of 52 months (86.6% of GCM were identical to the comprehensive evaluation result (CER. The obtained water quality grades of GCM are close to the grades of the analytic hierarchy process weight (AHPW due to the weight coefficient of AHPW set to 0.7487. Generally, one or two grade gaps exist among the results of the three groups of weights, suggesting that the index weight is not particularly sensitive to the cloud model. The evaluated accuracy of water quality can be improved by modifying the quantitative boundaries. This study could provide a reference for water quality evaluation, prevention, and improvement of water quality assessment and other applications.

  2. The theory and practice of 100 pilot SHP-based rural electrification counties in China

    Energy Technology Data Exchange (ETDEWEB)

    Luo Gaorong [Organization of the United Nations, Beijing (China). International Centre of Small Hydroelectric Power Plants

    1995-07-01

    This document presents the theory and practice of 100 pilot small hydroelectric power plants (SHP) based rural electrification counties in China. The document reports the research contents, methodology and results, and the pilot benefit analysis and evaluation.

  3. Teachers’ individual action theories about competence-based education: the value of the cognitive apprenticeship model

    NARCIS (Netherlands)

    Seezink, Audrey; Poell, Rob; Kirschner, Paul A.

    2009-01-01

    Seezink, A., Poell, R. F., & Kirschner, P. A. (2009). Teachers' individual action theories about competence-based education: The value of the cognitive apprenticeship model. Journal of Vocational Education & Training, 61, 203-215.

  4. The effect of education based on the Theory of Planned Behavior in smoking

    Directory of Open Access Journals (Sweden)

    Mahmoud Barfi

    2018-03-01

    Conclusion: According to the results, Education based on the theory of planned behavior has a positive impact on smoking behavior, Therefore, it is recommended that the above educational model is used to modify the behavior of smokers.

  5. Promotion of sun protective behaviors in high school students in Ahwaz: a theory-based intervention

    OpenAIRE

    Heydar Rahmati Asl; Kambiz Ahmadi Angali; Marzieh Araban

    2017-01-01

    The most important environmental factor affecting human health is the long exposure to solar ultraviolet radiation. This study aimed to determine the effect of an educational intervention based on the protection motivation theory in promoting sun-protective behaviors. In this quasi-experimental prepost test study, a sample of 215 high school students in Ahwaz. Using a reliable and valid questionnaire, and based on the theory of protection motivation, the data were collected before and four mo...

  6. Use of activity theory-based need finding for biomedical device development.

    Science.gov (United States)

    Rismani, Shalaleh; Ratto, Matt; Machiel Van der Loos, H F

    2016-08-01

    Identifying the appropriate needs for biomedical device design is challenging, especially for less structured environments. The paper proposes an alternate need-finding method based on Cultural Historical Activity Theory and expanded to explicitly examine the role of devices within a socioeconomic system. This is compared to a conventional need-finding technique in a preliminary study with engineering student teams. The initial results show that the Activity Theory-based technique allows teams to gain deeper insights into their needs space.

  7. Factors Affecting the Consumption of Fast Foods Among Women Based on the Social Cognitive Theory

    OpenAIRE

    Nooshin Beiranvandpour; Akram Karimi-Shahanjarini; Forouzan Rezapur-Shahkolai; Abbas Moghimbeigi

    2014-01-01

    Introduction: Fast-food consumption among Iranian families appears to be increasing probably due to urbanization, popularization of western-style diets and increased women's labor force participation. Few theory-based investigations have assessed the determinants of fast food consumption. Therefore, the aim of this study was to determine the predictors of fast food consumption, based on the social cognitive theory (SCT) among women referred to health centers in Hamadan, West of Iran. Mate...

  8. The Role of Culture Theory in Cross-Cultural Training: A Multimethod Study of Culture-Specific, Culture-General, and Culture Theory-Based Assimilators.

    Science.gov (United States)

    Bhawuk, Dharm P. S.

    1998-01-01

    In a multimethod evaluation of cross-cultural training tools involving 102 exchange students at a midwestern university, a theory-based individualism and collectivism assimilator tool had significant advantages over culture-specific and culture-general assimilators and a control condition. Results support theory-based culture assimilators. (SLD)

  9. Consolidity: Stack-based systems change pathway theory elaborated

    Directory of Open Access Journals (Sweden)

    Hassen Taher Dorrah

    2014-06-01

    Full Text Available This paper presents an elaborated analysis for investigating the stack-based layering processes during the systems change pathway. The system change pathway is defined as the path resulting from the combinations of all successive changes induced on the system when subjected to varying environments, activities, events, or any excessive internal or external influences and happenings “on and above” its normal stands, situations or set-points during its course of life. The analysis is essentially based on the important overall system paradigm of “Time driven-event driven-parameters change”. Based on this paradigm, it is considered that any affected activity, event or varying environment is intelligently self-recorded inside the system through an incremental consolidity-scaled change in system parameters of the stack-based layering types. Various joint stack-based mathematical and graphical approaches supported by representable case studies are suggested for the identification, extraction, and processing of various stack-based systems changes layering of different classifications and categorizations. Moreover, some selected real life illustrative applications are provided to demonstrate the (infinite stack-based identification and recognition of the change pathway process in the areas of geology, archeology, life sciences, ecology, environmental science, engineering, materials, medicine, biology, sociology, humanities, and other important fields. These case studies and selected applications revealed that there are general similarities of the stack-based layering structures and formations among all the various research fields. Such general similarities clearly demonstrate the global concept of the “fractals-general stacking behavior” of real life systems during their change pathways. Therefore, it is recommended that concentrated efforts should be expedited toward building generic modular stack-based systems or blocks for the mathematical

  10. Community-Based Research: From Practice to Theory and Back Again.

    Science.gov (United States)

    Stoecker, Randy

    2003-01-01

    Explores the theoretical strands being combined in community-based research--charity service learning, social justice service learning, action research, and participatory research. Shows how different models of community-based research, based in different theories of society and different approaches to community work, may combine or conflict. (EV)

  11. Gröbner bases in control theory and signal processing

    CERN Document Server

    Regensburger, Georg

    2007-01-01

    This volume contains survey and original articles presenting the state of the art on the application of Gröbner bases in control theory and signal processing. The contributions are based on talks delivered at the Special Semester on Gröbner Bases and Related Methods at the Johann Radon Institute of Computational and Applied Mathematics (RICAM), Linz, Austria, in May 2006.

  12. Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory.

    Science.gov (United States)

    Shiga, Motoyuki; Masia, Marco

    2013-07-28

    In this paper, we lay the foundations for a new method that allows multilevel simulations of a diffusive system, i.e., a system where a flux of particles through the boundaries might disrupt the primary region. The method is based on the use of flexible restraints that maintain the separation between inner and outer particles. It is shown that, by introducing a bias potential that accounts for the exchange symmetry of the system, the correct statistical distribution is preserved. Using a toy model consisting of non-interacting particles in an asymmetric potential well, we prove that the method is formally exact, and that it could be simplified by considering only up to a couple of particle exchanges without a loss of accuracy. A real-world test is then made by considering a hybrid MM(∗)/MM calculation of cesium ion in water. In this case, the single exchange approximation is sound enough that the results superimpose to the exact solutions. Potential applications of this method to many different hybrid QM/MM systems are discussed, as well as its limitations and strengths in comparison to existing approaches.

  13. Model-Based Battery Management Systems: From Theory to Practice

    Science.gov (United States)

    Pathak, Manan

    Lithium-ion batteries are now extensively being used as the primary storage source. Capacity and power fade, and slow recharging times are key issues that restrict its use in many applications. Battery management systems are critical to address these issues, along with ensuring its safety. This dissertation focuses on exploring various control strategies using detailed physics-based electrochemical models developed previously for lithium-ion batteries, which could be used in advanced battery management systems. Optimal charging profiles for minimizing capacity fade based on SEI-layer formation are derived and the benefits of using such control strategies are shown by experimentally testing them on a 16 Ah NMC-based pouch cell. This dissertation also explores different time-discretization strategies for non-linear models, which gives an improved order of convergence for optimal control problems. Lastly, this dissertation also explores a physics-based model for predicting the linear impedance of a battery, and develops a freeware that is extremely robust and computationally fast. Such a code could be used for estimating transport, kinetic and material properties of the battery based on the linear impedance spectra.

  14. The Underdetermined Knowledge-Based Theory of the MNC

    DEFF Research Database (Denmark)

    Fransson, Anders; Håkanson, Lars; W. Liesch, Peter

    2011-01-01

    In this note we revisit two core propositions of the knowledge-based view of the firm found in the seminal work of Kogut and Zander: (1) that multinational corporations (MNCs) exist because transfers and re-combinations of knowledge occur more efficiently inside MNCs than between MNCs and third...... parties; and (2) that the threat of opportunism is not necessary, although it may be sufficient, to explain the existence of the MNC. Their knowledge-based view shifted the conceptualization of the firm from an institution arising from market failure and transaction costs economizing to a progeny......-combination of knowledge among their members. Important insights may be gained by applying the concept of epistemic communities implicit in the knowledge-based perspective beyond firm-level hierarchies....

  15. Theory of fractional order elements based impedance matching networks

    KAUST Repository

    Radwan, Ahmed G.

    2011-03-01

    Fractional order circuit elements (inductors and capacitors) based impedance matching networks are introduced for the first time. In comparison to the conventional integer based L-type matching networks, fractional matching networks are much simpler and versatile. Any complex load can be matched utilizing a single series fractional element, which generally requires two elements for matching in the conventional approach. It is shown that all the Smith chart circles (resistance and reactance) are actually pairs of completely identical circles. They appear to be single for the conventional integer order case, where the identical circles completely overlap each other. The concept is supported by design equations and impedance matching examples. © 2010 IEEE.

  16. Buckling analysis of micro- and nano-rods/tubes based on nonlocal Timoshenko beam theory

    International Nuclear Information System (INIS)

    Wang, C M; Zhang, Y Y; Ramesh, Sai Sudha; Kitipornchai, S

    2006-01-01

    This paper is concerned with the elastic buckling analysis of micro- and nano-rods/tubes based on Eringen's nonlocal elasticity theory and the Timoshenko beam theory. In the former theory, the small scale effect is taken into consideration while the effect of transverse shear deformation is accounted for in the latter theory. The governing equations and the boundary conditions are derived using the principle of virtual work. Explicit expressions for the critical buckling loads are derived for axially loaded rods/tubes with various end conditions. These expressions account for a better representation of the buckling behaviour of micro- and nano-rods/tubes where small scale effect and transverse shear deformation effect are significant. By comparing it with the classical beam theories, the sensitivity of the small scale effect on the buckling loads may be observed

  17. Workplace-based assessment: raters' performance theories and constructs

    NARCIS (Netherlands)

    Govaerts, M.J.; Wiel, M.W.J. van de; Schuwirth, L.W.; Vleuten, C.P.M. van der; Muijtjens, A.M.M.

    2013-01-01

    Weaknesses in the nature of rater judgments are generally considered to compromise the utility of workplace-based assessment (WBA). In order to gain insight into the underpinnings of rater behaviours, we investigated how raters form impressions of and make judgments on trainee performance. Using

  18. Labour market participants’ competitiveness assessment based on latent variables theory

    Directory of Open Access Journals (Sweden)

    T. V. Sabetova

    2017-01-01

    Full Text Available The article suggests innovative model for assessment of labour market subjects’ competitiveness, or successfulness. The authors state that general complex indicator for individual competitiveness within the labour market cannot be identified. Instead, precise enough assessment of such competitiveness can be based on some variables, though different for in-house and external labour market. The model of latent variables’ assessment based on Rasch’s method was selected as the base for the suggested method. The assessment model gives unbiased generalized values of subjects’ competitiveness on the linear non-dimensional scale based on the partial estimates of the selected criteria. The free choice of these criteria allows the model’s appliance for various labour market segments. The article demonstrates the mathematical grounding for the model; methodic of the assessment criteria selection; the way of assessment performance using MS Excel. It also analyses the features of the obtained estimates and shows their comparison with the estimates obtained by traditional methods. The model suggested by the authors can introduce any quantitative parameter of competitiveness as a variable after analysis of the factors affecting it. The quantitative estimates of these factors become the model’s criteria, but the assessment precision does not alter.

  19. A Null Theory of Creole Formation Based on Universal Grammar

    NARCIS (Netherlands)

    Aboh, E.O.; DeGraff, M.; Roberts, I.

    2017-01-01

    Creole languages are typically the linguistic side effects of the creation of global economies based on the forced migration and labor of enslaved Africans toiling in European colonies in the Americas. Section 1 addresses terminological and methodological preliminaries in Creole studies, including

  20. "Theory repositories" via the web for problem-based learning

    NARCIS (Netherlands)

    van der Veen, Johan (CTIT); van Riemsdijk, Maarten; Jones, Valerie M.; Collis, Betty

    2000-01-01

    This paper describes a series of experiments conducted at the School of Management Studies at the University of Twente designed to improve students' concentration on the theoretical study materials in a particular course. In 1997 a problem-based learning approach was introduced into a course on

  1. Scale-invariant entropy-based theory for dynamic ordering

    International Nuclear Information System (INIS)

    Mahulikar, Shripad P.; Kumari, Priti

    2014-01-01

    Dynamically Ordered self-organized dissipative structure exists in various forms and at different scales. This investigation first introduces the concept of an isolated embedding system, which embeds an open system, e.g., dissipative structure and its mass and/or energy exchange with its surroundings. Thereafter, scale-invariant theoretical analysis is presented using thermodynamic principles for Order creation, existence, and destruction. The sustainability criterion for Order existence based on its structured mass and/or energy interactions with the surroundings is mathematically defined. This criterion forms the basis for the interrelationship of physical parameters during sustained existence of dynamic Order. It is shown that the sufficient condition for dynamic Order existence is approached if its sustainability criterion is met, i.e., its destruction path is blocked. This scale-invariant approach has the potential to unify the physical understanding of universal dynamic ordering based on entropy considerations

  2. The boundaries of instance-based learning theory for explaining decisions from experience.

    Science.gov (United States)

    Gonzalez, Cleotilde

    2013-01-01

    Most demonstrations of how people make decisions in risky situations rely on decisions from description, where outcomes and their probabilities are explicitly stated. But recently, more attention has been given to decisions from experience where people discover these outcomes and probabilities through exploration. More importantly, risky behavior depends on how decisions are made (from description or experience), and although prospect theory explains decisions from description, a comprehensive model of decisions from experience is yet to be found. Instance-based learning theory (IBLT) explains how decisions are made from experience through interactions with dynamic environments (Gonzalez et al., 2003). The theory has shown robust explanations of behavior across multiple tasks and contexts, but it is becoming unclear what the theory is able to explain and what it does not. The goal of this chapter is to start addressing this problem. I will introduce IBLT and a recent cognitive model based on this theory: the IBL model of repeated binary choice; then I will discuss the phenomena that the IBL model explains and those that the model does not. The argument is for the theory's robustness but also for clarity in terms of concrete effects that the theory can or cannot account for. Copyright © 2013 Elsevier B.V. All rights reserved.

  3. INTERNET BANKING ACCEPTANCE IN MALAYSIA BASED ON THE THEORY OF REASONED ACTION

    Directory of Open Access Journals (Sweden)

    J Michael Pearson

    2008-09-01

    Full Text Available ABSTRACT The theory of reasoned action originally introduced in the field of Social Psychology has been widely used to explain individuals’ behaviour. The theory postulates that individuals’ behaviour is influenced by their attitude and subjective norm. The purpose of this study was to determine factors that influence an individual’s intention to use a technology based on the theory of reasoned action. We used Internet banking as the target technology and Malaysian subjects as the sampling frame. A principal component analysis was used to validate the constructs and multiple regressions were used to analyze the data. As expected, the results supported the theory’s proposition as that an individuals’ behavioural intention to use Internet banking is influenced by their attitude and subjective norm. Based on the findings, theoretical and practical implications were offered. Keywords: theory of reasoned action, Internet banking, technology acceptance

  4. Collective learning modeling based on the kinetic theory of active particles.

    Science.gov (United States)

    Burini, D; De Lillo, S; Gibelli, L

    2016-03-01

    This paper proposes a systems approach to the theory of perception and learning in populations composed of many living entities. Starting from a phenomenological description of these processes, a mathematical structure is derived which is deemed to incorporate their complexity features. The modeling is based on a generalization of kinetic theory methods where interactions are described by theoretical tools of game theory. As an application, the proposed approach is used to model the learning processes that take place in a classroom. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Theory and Application of Audio-Based Assessment of Cough

    Directory of Open Access Journals (Sweden)

    Yan Shi

    2018-01-01

    Full Text Available Cough is a common symptom of many respiratory diseases. Many medical literatures underline that a system for the automatic, objective, and reliable detection of cough events is important and very promising to detect pathology severity in chronic cough disease. In order to track the development status of an audio-based cough monitoring system, we briefly described the history of objective cough detection and then illustrated the cough sound generating principle. The probable endpoints of cough clinical studies, including cough frequency, intensity of coughing, and acoustic properties of cough sound, were analyzed in this paper. Finally, we introduce some successful cough monitoring equipment and their recognition algorithm in detail. It can be obtained that, firstly, acoustic variability of cough sounds within and between individuals makes it difficult to assess the intensity of coughing. Furthermore, now great progress in audio-based cough detection is being made. Moreover, accurate portable objective monitoring systems will be available and widely used in home care and clinical trials in the near future.

  6. Computer Support of Groups: Theory-Based Models for GDSS Research

    OpenAIRE

    V. Srinivasan Rao; Sirkka L. Jarvenpaa

    1991-01-01

    Empirical research in the area of computer support of groups is characterized by inconsistent results across studies. This paper attempts to reconcile the inconsistencies by linking the ad hoc reasoning in the studies to existing theories of communication, minority influence and human information processing. Contingency models are then presented based on the theories discussed. The paper concludes by discussing the linkages between the current work and other recently published integrations of...

  7. Numerically-based ducted propeller design using vortex lattice lifting line theory

    OpenAIRE

    Stubblefield, John M.

    2008-01-01

    CIVINS (Civilian Institutions) Thesis document This thesis used vortex lattice lifting line theory to model an axisymmetrical-ducted propeller with no gap between the duct and the propeller. The theory required to model the duct and its interaction with the propeller were discussed and implemented in Open-source Propeller Design and Analysis Program (OpenProp). Two routines for determining the optimum circulation distribution were considered, and a method based on calculus of variation...

  8. Study effective factors on customer compliance in high contact services based on Bandura social - Cognitive theory

    OpenAIRE

    zahra asadi; bahman hajipour

    2014-01-01

    In today's competitive world, all market participants ranging from individuals, organizations should be looking for ways to success in the market. The secret to success high contact service providers as important part of market participants is, compliance and follow customers of high contact service providers the instructions and guidance. In this paper, a model based on Bandura social - Cognitive theory has Provided to customer compliance . According Bandura social - Cognitive theory and t...

  9. Projected quasiparticle theory for molecular electronic structure

    Science.gov (United States)

    Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Samanta, Kousik; Ellis, Jason K.

    2011-09-01

    We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately broken and restored in a self-consistent variation-after-projection approach. We show that the resulting method yields a comprehensive black-box treatment of static correlations with effective one-electron (mean-field) computational cost. The ensuing wave function is of multireference character and permeates the entire Hilbert space of the problem. The energy expression is different from regular HFB theory but remains a functional of an independent quasiparticle density matrix. All reduced density matrices are expressible as an integration of transition density matrices over a gauge grid. We present several proof-of-principle examples demonstrating the compelling power of projected quasiparticle theory for quantum chemistry.

  10. An Intuitionistic Fuzzy Stochastic Decision-Making Method Based on Case-Based Reasoning and Prospect Theory

    Directory of Open Access Journals (Sweden)

    Peng Li

    2017-01-01

    Full Text Available According to the case-based reasoning method and prospect theory, this paper mainly focuses on finding a way to obtain decision-makers’ preferences and the criterion weights for stochastic multicriteria decision-making problems and classify alternatives. Firstly, we construct a new score function for an intuitionistic fuzzy number (IFN considering the decision-making environment. Then, we aggregate the decision-making information in different natural states according to the prospect theory and test decision-making matrices. A mathematical programming model based on a case-based reasoning method is presented to obtain the criterion weights. Moreover, in the original decision-making problem, we integrate all the intuitionistic fuzzy decision-making matrices into an expectation matrix using the expected utility theory and classify or rank the alternatives by the case-based reasoning method. Finally, two illustrative examples are provided to illustrate the implementation process and applicability of the developed method.

  11. Hybrid Fundamental Solution Based Finite Element Method: Theory and Applications

    Directory of Open Access Journals (Sweden)

    Changyong Cao

    2015-01-01

    Full Text Available An overview on the development of hybrid fundamental solution based finite element method (HFS-FEM and its application in engineering problems is presented in this paper. The framework and formulations of HFS-FEM for potential problem, plane elasticity, three-dimensional elasticity, thermoelasticity, anisotropic elasticity, and plane piezoelectricity are presented. In this method, two independent assumed fields (intraelement filed and auxiliary frame field are employed. The formulations for all cases are derived from the modified variational functionals and the fundamental solutions to a given problem. Generation of elemental stiffness equations from the modified variational principle is also described. Typical numerical examples are given to demonstrate the validity and performance of the HFS-FEM. Finally, a brief summary of the approach is provided and future trends in this field are identified.

  12. Generalized perturbation theory based on the method of cyclic characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Assawaroongruengchot, M.; Marleau, G. [Institut de Genie Nucleaire, Departement de Genie Physique, Ecole Polytechnique de Montreal, 2900 Boul. Edouard-Montpetit, Montreal, Que. H3T 1J4 (Canada)

    2006-07-01

    A GPT algorithm for estimation of eigenvalues and reaction-rate ratios is developed for the neutron transport problems in 2D fuel assemblies with isotropic scattering. In our study the GPT formulation is based on the integral transport equations. The mathematical relationship between the generalized flux importance and generalized source importance functions is applied to transform the generalized flux importance transport equations into the integro-differential forms. The resulting adjoint and generalized adjoint transport equations are then solved using the method of cyclic characteristics (MOCC). Because of the presence of negative adjoint sources, a biasing/decontamination scheme is applied to make the generalized adjoint functions positive in such a way that it can be used for the multigroup re-balance technique. To demonstrate the efficiency of the algorithms, perturbative calculations are performed on a 17 x 17 PWR lattice. (authors)

  13. Generalized perturbation theory based on the method of cyclic characteristics

    International Nuclear Information System (INIS)

    Assawaroongruengchot, M.; Marleau, G.

    2006-01-01

    A GPT algorithm for estimation of eigenvalues and reaction-rate ratios is developed for the neutron transport problems in 2D fuel assemblies with isotropic scattering. In our study the GPT formulation is based on the integral transport equations. The mathematical relationship between the generalized flux importance and generalized source importance functions is applied to transform the generalized flux importance transport equations into the integro-differential forms. The resulting adjoint and generalized adjoint transport equations are then solved using the method of cyclic characteristics (MOCC). Because of the presence of negative adjoint sources, a biasing/decontamination scheme is applied to make the generalized adjoint functions positive in such a way that it can be used for the multigroup re-balance technique. To demonstrate the efficiency of the algorithms, perturbative calculations are performed on a 17 x 17 PWR lattice. (authors)

  14. Efficient Information Hiding Based on Theory of Numbers

    Directory of Open Access Journals (Sweden)

    Yanjun Liu

    2018-01-01

    Full Text Available Data hiding is an efficient technique that conceals secret data into a digital medium. In 2006, Zhang and Wang proposed a data hiding scheme called exploiting modification direction (EMD which has become a milestone in the field of data hiding. In recent years, many EMD-type data hiding schemes have been developed, but their embedding capacity remains restricted. In this paper, a novel data hiding scheme based on the combination of Chinese remainder theorem (CRT and a new extraction function is proposed. By the proposed scheme, the cover image is divided into non-overlapping pixel groups for embedding to increase the embedding capacity. Experimental results show that the embedding capacity of the proposed scheme is significantly higher (greater than 2.5 bpp than previously proposed schemes while ensuring very good visual quality of the stego image. In addition, security analysis is given to show that the proposed scheme can resist visual attack.

  15. Theory-based transport simulation of tokamaks: density scaling

    International Nuclear Information System (INIS)

    Ghanem, E.S.; Kinsey, J.; Singer, C.; Bateman, G.

    1992-01-01

    There has been a sizeable amount of work in the past few years using theoretically based flux-surface-average transport models to simulate various types of experimental tokamak data. Here we report two such studies, concentrating on the response of the plasma to variation of the line averaged electron density. The first study reported here uses a transport model described by Ghanem et al. to examine the response of global energy confinement time in ohmically heated discharges. The second study reported here uses a closely related and more recent transport model described by Bateman to examine the response of temperature profiles to changes in line-average density in neutral-beam-heated discharges. Work on developing a common theoretical model for these and other scaling experiments is in progress. (author) 5 refs., 2 figs

  16. Chiral spiral waveguides based on MMI crossings: theory and experiments

    Science.gov (United States)

    Cherchi, Matteo; Ylinen, Sami; Harjanne, Mikko; Kapulainen, Markku; Vehmas, Tapani; Aalto, Timo

    2016-03-01

    We introduce a novel type of chiral spiral waveguide where the usual waveguide crossings are replaced by 100:0 Multimode Interferometers (MMIs), i.e. 2x2 splitters that couple all the input light in the cross output port. Despite the topological equivalence with the standard configuration, we show how resorting to long MMIs has non-trivial advantages in terms of footprint and propagation length. An accurate analytic model is also introduced to show the impact of nonidealities on the spiral performances, including propagation loss and cross-talk. We have designed and fabricated three chiral spirals on our platform, based on 3 μm thick silicon strip waveguides with 0.13 dB/cm propagation loss, and 1.58 mm long MMIs. The fabricated spirals have 7, 13 and 49 loops respectively, corresponding to the effective lengths 6.6 cm, 12.5 cm and 47.9 cm. The proposed model is successfully applied to the experimental results, highlighting MMI extinction ratio of about 16.5 dB and MMI loss of about 0.08 dB, that are much worse compared to the simulated 50 dB extinction and 0.01 dB loss. This imposes an upper limit to the number of rounds, because light takes shortcuts through the bar MMI ports. Nevertheless, the novel chiral spiral waveguides outperform what is achievable in mainstream silicon photonics platforms based on submicron waveguides in terms of length and propagation losses, and they are promising candidates for the realization of integrated gyroscopes. They can be significantly further improved by replacing the MMIs with adiabatic 100:0 splitters, ensuring lower cross-talk and broader bandwidth.

  17. Is There an Optimal Strategic Oil Reserve for Each Country? A Study Based on the Game Theory

    DEFF Research Database (Denmark)

    Yang, Junan; Cong, Ronggang

    2014-01-01

    -cooperative game theory. It also analyzes the establishment of strategic oil reserve among different countries based on the coalition game theory and presents the core solution for it. The results show that based on a certain constraint mechanism, it is feasible for different countries to establish their own...... suitable strategic oil reserves in theory and practice....

  18. Using Game Theory and Competition-Based Learning to Stimulate Student Motivation and Performance

    Science.gov (United States)

    Burguillo, Juan C.

    2010-01-01

    This paper introduces a framework for using Game Theory tournaments as a base to implement Competition-based Learning (CnBL), together with other classical learning techniques, to motivate the students and increase their learning performance. The paper also presents a description of the learning activities performed along the past ten years of a…

  19. Advances in the application of decision theory to test-based decision making

    NARCIS (Netherlands)

    van der Linden, Willem J.

    This paper reviews recent research in the Netherlands on the application of decision theory to test-based decision making about personnel selection and student placement. The review is based on an earlier model proposed for the classification of decision problems, and emphasizes an empirical

  20. Time dependent mechanical modeling for polymers based on network theory

    Energy Technology Data Exchange (ETDEWEB)

    Billon, Noëlle [MINES ParisTech, PSL-Research University, CEMEF – Centre de mise en forme des matériaux, CNRS UMR 7635, CS 10207 rue Claude Daunesse 06904 Sophia Antipolis Cedex (France)

    2016-05-18

    Despite of a lot of attempts during recent years, complex mechanical behaviour of polymers remains incompletely modelled, making industrial design of structures under complex, cyclic and hard loadings not totally reliable. The non linear and dissipative viscoelastic, viscoplastic behaviour of those materials impose to take into account non linear and combined effects of mechanical and thermal phenomena. In this view, a visco-hyperelastic, viscoplastic model, based on network description of the material has recently been developed and designed in a complete thermodynamic frame in order to take into account those main thermo-mechanical couplings. Also, a way to account for coupled effects of strain-rate and temperature was suggested. First experimental validations conducted in the 1D limit on amorphous rubbery like PMMA in isothermal conditions led to pretty goods results. In this paper a more complete formalism is presented and validated in the case of a semi crystalline polymer, a PA66 and a PET (either amorphous or semi crystalline) are used. Protocol for identification of constitutive parameters is described. It is concluded that this new approach should be the route to accurately model thermo-mechanical behaviour of polymers using a reduced number of parameters of some physical meaning.

  1. Spatial ability of slow learners based on Hubert Maier theory

    Science.gov (United States)

    Permatasari, I.; Pramudya, I.; Kusmayadi, T. A.

    2018-03-01

    Slow learners are children who have low learning achievement (under the average of normal children) in one or all of the academic field, but they are not classified as a mentally retarded children. Spatial ability developed according to age and level of knowledge possessed, both from the neighborhood and formal education. Analyzing the spatial ability of students is important for teachers, as an effort to improve the quality of learning for slow learners. Especially on the implementation of inclusion school which is developing in Indonesia. This research used a qualitative method and involved slow learner students as the subject. Based on the data analysis it was found the spatial ability of slow learners, there were: spatial perception, students were able to describe the other shape of object when its position changed; spatial visualisation, students were able to describe the materials that construct an object; mental rotation, students cannot describe the object being rotated; spatial relation, students cannot describe the relations of same objects; spatial orientation, students were able to describe object from the others perspective.

  2. [Modeling continuous scaling of NDVI based on fractal theory].

    Science.gov (United States)

    Luan, Hai-Jun; Tian, Qing-Jiu; Yu, Tao; Hu, Xin-Li; Huang, Yan; Du, Ling-Tong; Zhao, Li-Min; Wei, Xi; Han, Jie; Zhang, Zhou-Wei; Li, Shao-Peng

    2013-07-01

    Scale effect was one of the very important scientific problems of remote sensing. The scale effect of quantitative remote sensing can be used to study retrievals' relationship between different-resolution images, and its research became an effective way to confront the challenges, such as validation of quantitative remote sensing products et al. Traditional up-scaling methods cannot describe scale changing features of retrievals on entire series of scales; meanwhile, they are faced with serious parameters correction issues because of imaging parameters' variation of different sensors, such as geometrical correction, spectral correction, etc. Utilizing single sensor image, fractal methodology was utilized to solve these problems. Taking NDVI (computed by land surface radiance) as example and based on Enhanced Thematic Mapper Plus (ETM+) image, a scheme was proposed to model continuous scaling of retrievals. Then the experimental results indicated that: (a) For NDVI, scale effect existed, and it could be described by fractal model of continuous scaling; (2) The fractal method was suitable for validation of NDVI. All of these proved that fractal was an effective methodology of studying scaling of quantitative remote sensing.

  3. An Approach for Leukemia Classification Based on Cooperative Game Theory

    Directory of Open Access Journals (Sweden)

    Atefeh Torkaman

    2011-01-01

    Full Text Available Hematological malignancies are the types of cancer that affect blood, bone marrow and lymph nodes. As these tissues are naturally connected through the immune system, a disease affecting one of them will often affect the others as well. The hematological malignancies include; Leukemia, Lymphoma, Multiple myeloma. Among them, leukemia is a serious malignancy that starts in blood tissues especially the bone marrow, where the blood is made. Researches show, leukemia is one of the common cancers in the world. So, the emphasis on diagnostic techniques and best treatments would be able to provide better prognosis and survival for patients. In this paper, an automatic diagnosis recommender system for classifying leukemia based on cooperative game is presented. Through out this research, we analyze the flow cytometry data toward the classification of leukemia into eight classes. We work on real data set from different types of leukemia that have been collected at Iran Blood Transfusion Organization (IBTO. Generally, the data set contains 400 samples taken from human leukemic bone marrow. This study deals with cooperative game used for classification according to different weights assigned to the markers. The proposed method is versatile as there are no constraints to what the input or output represent. This means that it can be used to classify a population according to their contributions. In other words, it applies equally to other groups of data. The experimental results show the accuracy rate of 93.12%, for classification and compared to decision tree (C4.5 with (90.16% in accuracy. The result demonstrates that cooperative game is very promising to be used directly for classification of leukemia as a part of Active Medical decision support system for interpretation of flow cytometry readout. This system could assist clinical hematologists to properly recognize different kinds of leukemia by preparing suggestions and this could improve the treatment

  4. An approach for leukemia classification based on cooperative game theory.

    Science.gov (United States)

    Torkaman, Atefeh; Charkari, Nasrollah Moghaddam; Aghaeipour, Mahnaz

    2011-01-01

    Hematological malignancies are the types of cancer that affect blood, bone marrow and lymph nodes. As these tissues are naturally connected through the immune system, a disease affecting one of them will often affect the others as well. The hematological malignancies include; Leukemia, Lymphoma, Multiple myeloma. Among them, leukemia is a serious malignancy that starts in blood tissues especially the bone marrow, where the blood is made. Researches show, leukemia is one of the common cancers in the world. So, the emphasis on diagnostic techniques and best treatments would be able to provide better prognosis and survival for patients. In this paper, an automatic diagnosis recommender system for classifying leukemia based on cooperative game is presented. Through out this research, we analyze the flow cytometry data toward the classification of leukemia into eight classes. We work on real data set from different types of leukemia that have been collected at Iran Blood Transfusion Organization (IBTO). Generally, the data set contains 400 samples taken from human leukemic bone marrow. This study deals with cooperative game used for classification according to different weights assigned to the markers. The proposed method is versatile as there are no constraints to what the input or output represent. This means that it can be used to classify a population according to their contributions. In other words, it applies equally to other groups of data. The experimental results show the accuracy rate of 93.12%, for classification and compared to decision tree (C4.5) with (90.16%) in accuracy. The result demonstrates that cooperative game is very promising to be used directly for classification of leukemia as a part of Active Medical decision support system for interpretation of flow cytometry readout. This system could assist clinical hematologists to properly recognize different kinds of leukemia by preparing suggestions and this could improve the treatment of leukemic

  5. The Scientific Value of Cognitive Load Theory: A Research Agenda Based on the Structuralist View of Theories

    Science.gov (United States)

    Gerjets, Peter; Scheiter, Katharina; Cierniak, Gabriele

    2009-01-01

    In this paper, two methodological perspectives are used to elaborate on the value of cognitive load theory (CLT) as a scientific theory. According to the more traditional critical rationalism of Karl Popper, CLT cannot be considered a scientific theory because some of its fundamental assumptions cannot be tested empirically and are thus not…

  6. Block correlated second order perturbation theory with a generalized valence bond reference function

    International Nuclear Information System (INIS)

    Xu, Enhua; Li, Shuhua

    2013-01-01

    The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a “multi-orbital” block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Møller–Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods

  7. Block correlated second order perturbation theory with a generalized valence bond reference function.

    Science.gov (United States)

    Xu, Enhua; Li, Shuhua

    2013-11-07

    The block correlated second-order perturbation theory with a generalized valence bond (GVB) reference (GVB-BCPT2) is proposed. In this approach, each geminal in the GVB reference is considered as a "multi-orbital" block (a subset of spin orbitals), and each occupied or virtual spin orbital is also taken as a single block. The zeroth-order Hamiltonian is set to be the summation of the individual Hamiltonians of all blocks (with explicit two-electron operators within each geminal) so that the GVB reference function and all excited configuration functions are its eigenfunctions. The GVB-BCPT2 energy can be directly obtained without iteration, just like the second order Mo̸ller-Plesset perturbation method (MP2), both of which are size consistent. We have applied this GVB-BCPT2 method to investigate the equilibrium distances and spectroscopic constants of 7 diatomic molecules, conformational energy differences of 8 small molecules, and bond-breaking potential energy profiles in 3 systems. GVB-BCPT2 is demonstrated to have noticeably better performance than MP2 for systems with significant multi-reference character, and provide reasonably accurate results for some systems with large active spaces, which are beyond the capability of all CASSCF-based methods.

  8. A Christian faith-based recovery theory: understanding God as sponsor.

    Science.gov (United States)

    Timmons, Shirley M

    2012-12-01

    This article reports the development of a substantive theory to explain an evangelical Christian-based process of recovery from addiction. Faith-based, 12-step, mutual aid programs can improve drug abstinence by offering: (a) an intervention option alone and/or in conjunction with secular programs and (b) an opportunity for religious involvement. Although literature on religion, spirituality, and addiction is voluminous, traditional 12-step programs fail to explain the mechanism that underpins the process of Christian-based recovery (CR). This pilot study used grounded theory to explore and describe the essence of recovery of 10 former crack cocaine-addicted persons voluntarily enrolled in a CR program. Data were collected from in-depth interviews during 4 months of 2008. Audiotapes were transcribed verbatim, and the constant comparative method was used to analyze data resulting in the basic social process theory, understanding God as sponsor. The theory was determined through writing theoretical memos that generated key elements that allow persons to recover: acknowledging God-centered crises, communicating with God, and planning for the future. Findings from this preliminary study identifies important factors that can help persons in recovery to sustain sobriety and program administrators to benefit from theory that guides the development of evidence-based addiction interventions.

  9. Derivative Trade Optimizing Model Utilizing GP Based on Behavioral Finance Theory

    Science.gov (United States)

    Matsumura, Koki; Kawamoto, Masaru

    This paper proposed a new technique which makes the strategy trees for the derivative (option) trading investment decision based on the behavioral finance theory and optimizes it using evolutionary computation, in order to achieve high profitability. The strategy tree uses a technical analysis based on a statistical, experienced technique for the investment decision. The trading model is represented by various technical indexes, and the strategy tree is optimized by the genetic programming(GP) which is one of the evolutionary computations. Moreover, this paper proposed a method using the prospect theory based on the behavioral finance theory to set psychological bias for profit and deficit and attempted to select the appropriate strike price of option for the higher investment efficiency. As a result, this technique produced a good result and found the effectiveness of this trading model by the optimized dealings strategy.

  10. Design-based research – issues in connecting theory, research and practice

    DEFF Research Database (Denmark)

    Kolmos, Anette

    2015-01-01

    the gap. But is this as easy as it sounds? The purpose of the article is to identify and discuss issues involved in applying DBR. The article is based on methodology chapters and essays from three PhD studies applying the DBR framework to implement problem and project based learning (PBL). The findings......During the last 20 years, design-based research (DBR) has become a popular methodology for connecting educational theory, research and practice. The missing link between educational theory, research and educational practice is an ongoing issue and DBR is seen as an integrated methodology to bridge...... indicate several key issues at both the scientific and personal level. Scientifically, the main issues are contribution to theory and the role of the researcher. At the personal level, it is an investment beyond normal research procedures to involve yourself as a researcher in curriculum change....

  11. Nonlinear behavior of capacitive micro-beams based on strain gradient theory

    International Nuclear Information System (INIS)

    Fathalilou, Mohammad; Sadeghi, Morteza; Rezazadeh, Ghader

    2014-01-01

    This paper studies the size dependent behavior of materials in MEMS structures. This behavior becomes noticeable for a structure when the characteristic size such as thickness or diameter is close to its internal length-scale parameter and is insignificant for the high ratio of the characteristic size to the length-scale parameter, which is the case of the silicon base micro-beams. However, in some types of micro-beams like gold or nickel bases, the size dependent effect cannot be overlooked. In such cases, ignoring this behavior in modeling will lead to incorrect results. Some previous researchers have applied classic beam theory on their models and imposed a considerable hypothetical value of residual stress to match their theoretical results with the experimental ones. The equilibrium positions or fixed points of the gold and nickel micro-beams are obtained and shown that for a given DC voltage, there is a considerable difference between the obtained fixed points using classic beam theory, modified couple stress theory, and modified strain gradient theory. In addition, it is shown that the calculated static and dynamic pull-in voltages using higher order theories are much closer to the experimental results and are higher several times than those obtained by classic beam theory.

  12. Towards a Theory for Strategic Posture in New Technology Based Firms

    Directory of Open Access Journals (Sweden)

    Héctor Montiel-Campos

    2014-06-01

    Full Text Available This paper elaborates a theory from the existing literature on subjects about entrepreneurship, strategy and innovation. Dubin’s methodology approach is used in order to develop a theory that helps better understand the strategic posture adopted by a New Technology Based Firm in its competitive environment. The theory proposes the competitive context conditions as precedents of the dominant logic and the technology strategy, which, in turn, influence in the competitive behavior adopted by the new firm. An Entrepreneurial Orientation by the new firm, combined with very particular dynamic capabilities, improve the firm’s performance. From the achieved performance, a feedback process to the strategic stance initiates. In addition to the theory, interaction laws, a set of propositions, as well as suggestions for future research projects are presented.

  13. A Psychometric Approach to Theory-Based Behavior Change Intervention Development: Example From the Colorado Meaning-Activity Project.

    Science.gov (United States)

    Masters, Kevin S; Ross, Kaile M; Hooker, Stephanie A; Wooldridge, Jennalee L

    2018-05-18

    There has been a notable disconnect between theories of behavior change and behavior change interventions. Because few interventions are both explicitly and adequately theory-based, investigators cannot assess the impact of theory on intervention effectiveness. Theory-based interventions, designed to deliberately engage the theory's proposed mechanisms of change, are needed to adequately test theories. Thus, systematic approaches to theory-based intervention development are needed. This article will introduce and discuss the psychometric method of developing theory-based interventions. The psychometric approach to intervention development utilizes basic psychometric principles at each step of the intervention development process in order to build a theoretically driven intervention to, subsequently, be tested in process (mechanism) and outcome studies. Five stages of intervention development are presented as follows: (i) Choice of theory; (ii) Identification and characterization of key concepts and expected relations; (iii) Intervention construction; (iv) Initial testing and revision; and (v) Empirical testing of the intervention. Examples of this approach from the Colorado Meaning-Activity Project (COMAP) are presented. Based on self-determination theory integrated with meaning or purpose, and utilizing a motivational interviewing approach, the COMAP intervention is individually based with an initial interview followed by smart phone-delivered interventions for increasing daily activity. The psychometric approach to intervention development is one method to ensure careful consideration of theory in all steps of intervention development. This structured approach supports developing a research culture that endorses deliberate and systematic operationalization of theory into behavior change intervention from the outset of intervention development.

  14. Towards socio-material approaches in simulation-based education: lessons from complexity theory.

    Science.gov (United States)

    Fenwick, Tara; Dahlgren, Madeleine Abrandt

    2015-04-01

    Review studies of simulation-based education (SBE) consistently point out that theory-driven research is lacking. The literature to date is dominated by discourses of fidelity and authenticity - creating the 'real' - with a strong focus on the developing of clinical procedural skills. Little of this writing incorporates the theory and research proliferating in professional studies more broadly, which show how professional learning is embodied, relational and situated in social - material relations. A key concern for medical educators concerns how to better prepare students for the unpredictable and dynamic ambiguity of professional practice; this has stimulated the movement towards socio-material theories in education that address precisely this question. Among the various socio-material theories that are informing new developments in professional education, complexity theory has been of particular importance for medical educators interested in updating current practices. This paper outlines key elements of complexity theory, illustrated with examples from empirical study, to argue its particular relevance for improving SBE. Complexity theory can make visible important material dynamics, and their problematic consequences, that are not often noticed in simulated experiences in medical training. It also offers conceptual tools that can be put to practical use. This paper focuses on concepts of emergence, attunement, disturbance and experimentation. These suggest useful new approaches for designing simulated settings and scenarios, and for effective pedagogies before, during and following simulation sessions. Socio-material approaches such as complexity theory are spreading through research and practice in many aspects of professional education across disciplines. Here, we argue for the transformative potential of complexity theory in medical education using simulation as our focus. Complexity tools open questions about the socio-material contradictions inherent in

  15. Theory of normal and superconducting properties of fullerene-based solids

    International Nuclear Information System (INIS)

    Cohen, M.L.

    1992-10-01

    Recent experiments on the normal-state and superconducting properties of fullerene-based solids are used to constrain the proposal theories of the electronic nature of these materials. In general, models of superconductivity based on electron pairing induced by phonons are consistent with electronic band theory. The latter experiments also yield estimates of the parameters characterizing these type H superconductors. It is argued that, at this point, a ''standard model'' of phonons interacting with itinerant electrons may be a good first approximation for explaining the properties of the metallic fullerenes

  16. Category Theory as a Formal Mathematical Foundation for Model-Based Systems Engineering

    KAUST Repository

    Mabrok, Mohamed

    2017-01-09

    In this paper, we introduce Category Theory as a formal foundation for model-based systems engineering. A generalised view of the system based on category theory is presented, where any system can be considered as a category. The objects of the category represent all the elements and components of the system and the arrows represent the relations between these components (objects). The relationship between these objects are the arrows or the morphisms in the category. The Olog is introduced as a formal language to describe a given real-world situation description and requirement writing. A simple example is provided.

  17. Cognitive Effects of Mindfulness Training: Results of a Pilot Study Based on a Theory Driven Approach

    OpenAIRE

    Wimmer, Lena; Bellingrath, Silja; von Stockhausen, Lisa

    2016-01-01

    The present paper reports a pilot study which tested cognitive effects of mindfulness practice in a theory-driven approach. Thirty-four fifth graders received either a mindfulness training which was based on the mindfulness-based stress reduction approach (experimental group), a concentration training (active control group), or no treatment (passive control group). Based on the operational definition of mindfulness by Bishop et al. (2004), effects on sustained attention, cognitive flexibility...

  18. Promotion of sun protective behaviors in high school students in Ahwaz: a theory-based intervention

    Directory of Open Access Journals (Sweden)

    Heydar Rahmati Asl

    2017-07-01

    Full Text Available The most important environmental factor affecting human health is the long exposure to solar ultraviolet radiation. This study aimed to determine the effect of an educational intervention based on the protection motivation theory in promoting sun-protective behaviors. In this quasi-experimental prepost test study, a sample of 215 high school students in Ahwaz. Using a reliable and valid questionnaire, and based on the theory of protection motivation, the data were collected before and four months after the intervention. In the posttest, there was a significant difference in mean score of the protection motivation theory components between the experimental and control groups. the comparison of the mean score of the components of protection motivation theory in the experimental and control groups before and after the intervention showed a significant difference in all the components except for the response cost, while in the control group the mean score difference not significant. The results of this study showed that the intervention may lead to the sun exposure preventive behaviors, which reflects the effectiveness of the educational intervention based on the protection motivation theory.

  19. A distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory

    Science.gov (United States)

    Chen, Chung-De

    2018-04-01

    In this paper, a distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory (RZT) is developed. In this model, the zigzag function is incorporated into the axial displacement, and the zigzag distribution of the displacement between the adjacent layers of the bimorph structure can be considered. The governing equations, including three equations of motions and one equation of circuit, are derived using Hamilton’s principle. The natural frequency, its corresponding modal function and the steady state response of the base excitation motion are given in exact forms. The presented results are benchmarked with the finite element method and two beam theories, the first-order shear deformation theory and the classical beam theory. Comparing examples shows that the RZT provides predictions of output voltage and generated power at high accuracy, especially for the case of a soft middle layer. Variation of the parameters, such as the beam thickness, excitation frequencies and the external electrical loads, is investigated and its effects on the performance of the energy harvesters are studied by using the RZT developed in this paper. Based on this refined theory, analysts and engineers can capture more details on the electromechanical behavior of piezoelectric harvesters.

  20. Promoting fruit and vegetable consumption among students: a randomized controlled trial based on social cognitive theory.

    Science.gov (United States)

    Najimi, Arash; Ghaffari, Mohtasham

    2013-10-01

    To assess the effectiveness of an educational intervention based on social cognitive theory on increasing consumption of fruit and vegetable among Grade 4 students. The randomised study was conducted in Isfahan, Iran, during 2011 and comprised 138 students, who were randomly divided into intervention and control groups. Data was collected at the beginning and three months after the intervention. A self-administered questionnaire based on constructs of social cognitive theory and food consumption was used. Theory-based nutrition education was imparted on the intervention group. Data was analysed using SPSS 15 and appropriate statistical tests. The intervention group had 68 (49.27%) subjects, while there were 70 (50.72%) controls. After the intervention, mean scores of behavioural capability (p social support (p = 0.03), and observational learning (p = 0.002) had significantly improved in the intervention group. Nutritional behaviour also showed significant improvement on mean daily intake of fruits and vegetables in the intervention group (p social cognitive theory led to increase in the consumption of fruits and vegetables among students, which confirmed the efficiency of social cognitive theory for such interventions.

  1. Middle-aged women's preferred theory-based features in mobile physical activity applications.

    Science.gov (United States)

    Ehlers, Diane K; Huberty, Jennifer L

    2014-09-01

    The purpose of this study was to describe which theory-based behavioral and technological features middle-aged women prefer to be included in a mobile application designed to help them adopt and maintain regular physical activity (PA). Women aged 30 to 64 years (N = 120) completed an online survey measuring their demographics and mobile PA application preferences. The survey was developed upon behavioral principles of Social Cognitive Theory, recent mobile app research, and technology adoption principles of the Unified Theory of Acceptance and Use of Technology. Frequencies were calculated and content analyses conducted to identify which features women most preferred. Behavioral features that help women self-regulate their PA (PA tracking, goal-setting, progress monitoring) were most preferred. Technological features that enhance perceived effort expectancy and playfulness were most preferred. Many women reported the desire to interact and compete with others through the application. Theory-based PA self-regulation features and theory-based design features that improve perceived effort expectancy and playfulness may be most beneficial in a mobile PA application for middle-aged women. Opportunities to interact with other people and the employment of social, game-like activities may also be attractive. Interdisciplinary engagement of experts in PA behavior change, technology adoption, and software development is needed.

  2. Investigating an approach to the alliance based on interpersonal defense theory.

    Science.gov (United States)

    Westerman, Michael A; Muran, J Christopher

    2017-09-01

    Notwithstanding consistent findings of significant relationships between the alliance and outcome, questions remain to be answered about the relatively small magnitude of those correlations, the mechanisms underlying the association, and how to conceptualize the alliance construct. We conducted a preliminary study of an approach to the alliance based on interpersonal defense theory, which is an interpersonal reconceptualization of defense processes, to investigate the promise of this alternative approach as a way to address the outstanding issues. We employed qualitative, theory-building case study methodology, closely examining alliance processes at four time points in the treatment of a case in terms of a case formulation based on interpersonal defense theory. The results suggested that our approach made it possible to recognize key processes in the alliance and that it helps explain how the alliance influences outcome. Our analyses also provided a rich set of concrete illustrations of the alliance phenomena identified by the theory. The findings suggest that an approach to the alliance based on interpersonal defense theory holds promise. However, although the qualitative method we employed has advantages, it also has limitations. We offer suggestions about how future qualitative and quantitative investigations could build on this study.

  3. Nonlinear aeroelastic modelling for wind turbine blades based on blade element momentum theory and geometrically exact beam theory

    International Nuclear Information System (INIS)

    Wang, Lin; Liu, Xiongwei; Renevier, Nathalie; Stables, Matthew; Hall, George M.

    2014-01-01

    Due to the increasing size and flexibility of large wind turbine blades, accurate and reliable aeroelastic modelling is playing an important role for the design of large wind turbines. Most existing aeroelastic models are linear models based on assumption of small blade deflections. This assumption is not valid anymore for very flexible blade design because such blades often experience large deflections. In this paper, a novel nonlinear aeroelastic model for large wind turbine blades has been developed by combining BEM (blade element momentum) theory and mixed-form formulation of GEBT (geometrically exact beam theory). The nonlinear aeroelastic model takes account of large blade deflections and thus greatly improves the accuracy of aeroelastic analysis of wind turbine blades. The nonlinear aeroelastic model is implemented in COMSOL Multiphysics and validated with a series of benchmark calculation tests. The results show that good agreement is achieved when compared with experimental data, and its capability of handling large deflections is demonstrated. Finally the nonlinear aeroelastic model is applied to aeroelastic modelling of the parked WindPACT 1.5 MW baseline wind turbine, and reduced flapwise deflection from the nonlinear aeroelastic model is observed compared to the linear aeroelastic code FAST (Fatigue, Aerodynamics, Structures, and Turbulence). - Highlights: • A novel nonlinear aeroelastic model for wind turbine blades is developed. • The model takes account of large blade deflections and geometric nonlinearities. • The model is reliable and efficient for aeroelastic modelling of wind turbine blades. • The accuracy of the model is verified by a series of benchmark calculation tests. • The model provides more realistic aeroelastic modelling than FAST (Fatigue, Aerodynamics, Structures, and Turbulence)

  4. A new safety assessment model for shallow land burial of LLW based on multicomponent sorption theory

    International Nuclear Information System (INIS)

    Katoh, N.; Asano, T.; Tasaka, H.

    1984-01-01

    A new model on the radionuclide migration in underground environment is developed based on ''multicomponent sorption theory''. The model is capable of predicting the behaviors of the coexisting materials in soil-ground water system as ''multicomponent sorption phenomena'' and also predicting the radinuclide migration affected by the changes of concentrations of coexisting materials. The model is not a ''statistical model'' but a ''chemical model'' based on the ''ion exchange theory'' and ''adsorption theory''. Additionally, the model is a ''kinetic model'' capable of estimating the effect of ''rate of sorption'' on the radionuclide migration. The validity of the model was checked by the results of column experiments for sorption. Finally, sample calculations on the radionuclide migration in reference shallow land burial site were carried out for demonstration

  5. Fundamentals of the fuzzy logic-based generalized theory of decisions

    CERN Document Server

    Aliev, Rafik Aziz

    2013-01-01

    Every day decision making and decision making in complex human-centric systems are characterized by imperfect decision-relevant information. Main drawback of the existing decision theories is namely incapability to deal with imperfect information and modeling vague preferences. Actually, a paradigm of non-numerical probabilities in decision making has a long history and arose also in Keynes’s analysis of uncertainty. There is a need for further generalization – a move to decision theories with perception-based imperfect information described in NL. The languages of new decision models for human-centric systems should be not languages based on binary logic but human-centric computational schemes able to operate on NL-described information. Development of new theories is now possible due to an increased computational power of information processing systems which allows for computations with imperfect information, particularly, imprecise and partially true information, which are much more complex than comput...

  6. Friction Theory Prediction of Crude Oil Viscosity at Reservoir Conditions Based on Dead Oil Properties

    DEFF Research Database (Denmark)

    Cisneros, Sergio; Zeberg-Mikkelsen, Claus Kjær; Stenby, Erling Halfdan

    2003-01-01

    The general one-parameter friction theory (f-theory) models have been further extended to the prediction of the viscosity of real "live" reservoir fluids based on viscosity measurements of the "dead" oil and the compositional information of the live fluid. This work representation of the viscosity...... of real fluids is obtained by a simple one-parameter tuning of a linear equation derived from a general one-parameter f-theory model. Further, this is achieved using simple cubic equations of state (EOS), such as the Peng-Robinson (PR) EOS or the Soave-Redlich-Kwong (SRK) EOS, which are commonly used...... within the oil industry. In sake of completeness, this work also presents a simple characterization procedure which is based on compositional information of an oil sample. This procedure provides a method for characterizing an oil into a number of compound groups along with the critical constants...

  7. Intervention mapping: a process for developing theory- and evidence-based health education programs.

    Science.gov (United States)

    Bartholomew, L K; Parcel, G S; Kok, G

    1998-10-01

    The practice of health education involves three major program-planning activities: needs assessment, program development, and evaluation. Over the past 20 years, significant enhancements have been made to the conceptual base and practice of health education. Models that outline explicit procedures and detailed conceptualization of community assessment and evaluation have been developed. Other advancements include the application of theory to health education and promotion program development and implementation. However, there remains a need for more explicit specification of the processes by which one uses theory and empirical findings to develop interventions. This article presents the origins, purpose, and description of Intervention Mapping, a framework for health education intervention development. Intervention Mapping is composed of five steps: (1) creating a matrix of proximal program objectives, (2) selecting theory-based intervention methods and practical strategies, (3) designing and organizing a program, (4) specifying adoption and implementation plans, and (5) generating program evaluation plans.

  8. Analyzing the politico-moral foundations of the Iran's health system based on theories of justice.

    Science.gov (United States)

    Akrami, Forouzan; Abbasi, Mahmoud; Karimi, Abbas; Shahrivari, Akbar; Majdzadeh, Reza; Zali, Alireza

    2017-01-01

    Public health ethics is a field that covers both factual and ethical issues in health policy and science, and has positive obligations to improve the well-being of populations and reduce social inequalities. It is obvious that various philosophies and moral theories can differently shape the framework of public health ethics. For this reason, the present study reviewed theories of justice in order to analyze and criticize Iran's general health policies document, served in 14 Articles in 2014. Furthermore, it explored egalitarianism as the dominant theory in the political philosophy of the country's health care system. According to recent theories of justice, however, health policies must address well-being and its basic dimensions such as health, reasoning, autonomy, and the role of the involved agencies and social institutions in order to achieve social justice beyond distributive justice. Moreover, policy-making in the field of health and biomedical sciences based on Islamic culture necessitates a theory of social justice in the light of theological ethics. Educating people about their rights and duties, increasing their knowledge on individual agency, autonomy, and the role of the government, and empowering them will help achieve social justice. It is recommended to design and implement a strategic plan following each of these policies, based on the above-mentioned values and in collaboration with other sectors, to clarify the procedures in every case.

  9. Effects of Guided Writing Strategies on Students' Writing Attitudes Based on Media Richness Theory

    Science.gov (United States)

    Lan, Yu-Feng; Hung, Chun-Ling; Hsu, Hung-Ju

    2011-01-01

    The purpose of this paper is to develop different guided writing strategies based on media richness theory and further evaluate the effects of these writing strategies on younger students' writing attitudes in terms of motivation, enjoyment and anxiety. A total of 66 sixth-grade elementary students with an average age of twelve were invited to…

  10. Can Collaborative Consultation, Based on Communicative Theory, Promote an Inclusive School Culture?

    Science.gov (United States)

    von Ahlefeld Nisser, Désirée

    2017-01-01

    This article contributes to furthering our knowledge of how collaborative consultation, based on communicative theory, can make teachers' learning from, and with, each other an inclusive process, and thus promote an inclusive school culture. The aim is to study special education professionals' experiences of, and reflections on, leading…

  11. Portuguese Public University Student Satisfaction: A Stakeholder Theory-Based Approach

    Science.gov (United States)

    Mainardes, Emerson; Alves, Helena; Raposo, Mario

    2013-01-01

    In accordance with the importance of the student stakeholder to universities, the objective of this research project was to evaluate student satisfaction at Portuguese public universities as regards their self-expressed core expectations. The research was based both on stakeholder theory itself and on previous studies of university stakeholders.…

  12. Investigating Learner Attitudes toward E-Books as Learning Tools: Based on the Activity Theory Approach

    Science.gov (United States)

    Liaw, Shu-Sheng; Huang, Hsiu-Mei

    2016-01-01

    This paper investigates the use of e-books as learning tools in terms of learner satisfaction, usefulness, behavioral intention, and learning effectiveness. Based on the activity theory approach, this research develops a research model to understand learner attitudes toward e-books in two physical sizes: 10? and 7?. Results suggest that screen…

  13. Predicting Teachers' Intentions to Implement School-Based Assessment Using the Theory of Planned Behaviour

    Science.gov (United States)

    Yan, Zi

    2014-01-01

    The theory of planned behaviour (TPB) was used to explore the Hong Kong teachers' intentions to implement school-based assessment (SBA) and the predictors of those intentions. A total of 280 teachers from Hong Kong secondary schools who had been involved in SBA were surveyed. Rasch-calibrated teacher measures were calculated for each of the 6…

  14. Reducing Violence in Non-Controlling Ways: A Change Program Based on Self Determination Theory

    Science.gov (United States)

    Assor, Avi; Feinberg, Ofra; Kanat-Maymon, Yaniv; Kaplan, Haya

    2018-01-01

    This paper presents and examines the first school change program focusing on violence and caring based on self-determination theory (Deci & Ryan, 2012). The program aimed at promoting teachers' capacity to cope with violence and enhance caring without becoming more controlling. Comparisons of the effects of a 22-month-long program in three…

  15. Applications of decision theory to computer-based adaptive instructional systems

    NARCIS (Netherlands)

    Vos, Hendrik J.

    1988-01-01

    This paper considers applications of decision theory to the problem of instructional decision-making in computer-based adaptive instructional systems, using the Minnesota Adaptive Instructional System (MAIS) as an example. The first section indicates how the problem of selecting the appropriate

  16. Social Theory, Sacred Text, and Sing-Sing Prison: A Sociology of Community-Based Reconciliation.

    Science.gov (United States)

    Erickson, Victoria Lee

    2002-01-01

    Examines the sociological component of the urban community-based professional education programs at New York Theological Seminary offered at Sing-Sing Prison. Explores the simultaneous use of social theory and sacred texts as teaching tools and intervention strategies in the educational and personal transformation processes of men incarcerated for…

  17. Using Emergence Theory-Based Curriculum to Teach Compromise Skills to Students with Autistic Spectrum Disorders

    Science.gov (United States)

    Fein, Lance; Jones, Don

    2015-01-01

    This study addresses the compromise skills that are taught to students diagnosed with autistic spectrum disorders (ASD) and related social and communication deficits. A private school in the southeastern United States implemented an emergence theory-based curriculum to address these skills, yet no formal analysis was conducted to determine its…

  18. Imitation dynamics of vaccine decision-making behaviours based on the game theory.

    Science.gov (United States)

    Yang, Junyuan; Martcheva, Maia; Chen, Yuming

    2016-01-01

    Based on game theory, we propose an age-structured model to investigate the imitation dynamics of vaccine uptake. We first obtain the existence and local stability of equilibria. We show that Hopf bifurcation can occur. We also establish the global stability of the boundary equilibria and persistence of the disease. The theoretical results are supported by numerical simulations.

  19. The Idea of National HRD: An Analysis Based on Economics and Theory Development Methodology

    Science.gov (United States)

    Wang, Greg G.; Swanson, Richard A.

    2008-01-01

    Recent human resource development (HRD) literature focuses attention on national HRD (NHRD) research and represents problems in both HRD identity and research methodology. Based on a review of development economics and international development literature, this study analyzes the existing NHRD literature with respect to the theory development…

  20. Hydrogen Bonding in DNA Base Pairs: Reconciliation of Theory and Experiment

    NARCIS (Netherlands)

    Fonseca Guerra, C.; Bickelhaupt, F.M.; Snijders, J.G.; Baerends, E.J.

    2000-01-01

    Up till now, there has been a significant disagreement between theory and experiment regarding hydrogen bond lengths in Watson - Crick base pairs. To investigate the possible sources of this discrepancy, we have studied numerous model systems for adenine - thymine (AT) and guanine - cytosine (GC)

  1. Agent-based models for higher-order theory of mind

    NARCIS (Netherlands)

    de Weerd, Harmen; Verbrugge, Rineke; Verheij, Bart; Kamiński, Bogumił; Koloch, Grzegorz

    2014-01-01

    Agent-based models are a powerful tool for explaining the emergence of social phenomena in a society. In such models, individual agents typically have little cognitive ability. In this paper, we model agents with the cognitive ability to make use of theory of mind. People use this ability to reason

  2. Transdiagnostic Theory and Application of Family-Based Treatment for Youth with Eating Disorders

    Science.gov (United States)

    Loeb, Katharine L.; Lock, James; Greif, Rebecca; le Grange, Daniel

    2012-01-01

    This paper describes the transdiagnostic theory and application of family-based treatment (FBT) for children and adolescents with eating disorders. We review the fundamentals of FBT, a transdiagnostic theoretical model of FBT and the literature supporting its clinical application, adaptations across developmental stages and the diagnostic spectrum…

  3. Generalizability Theory Reliability of Written Expression Curriculum-Based Measurement in Universal Screening

    Science.gov (United States)

    Keller-Margulis, Milena A.; Mercer, Sterett H.; Thomas, Erin L.

    2016-01-01

    The purpose of this study was to examine the reliability of written expression curriculum-based measurement (WE-CBM) in the context of universal screening from a generalizability theory framework. Students in second through fifth grade (n = 145) participated in the study. The sample included 54% female students, 49% White students, 23% African…

  4. A resource-based theory of market structure and organizational form

    NARCIS (Netherlands)

    van Witteloostuijn, A.; Boone, C.A.J.J.

    We argue that combining the insights from both the industrial organization and organizational ecology perspectives is likely to produce value added. We develop a resource-based theory of market structure, where resources pertain to the environmental assets (together forming the resource space)

  5. The Resource-Based Theory and Disaster Management: Implication for Local Government in Managing a Disaster

    OpenAIRE

    Kusumasari, Bevaola

    2012-01-01

    Artikel ini adalah kajian evaluasi mengenai kapabilitas pemerintah daerah Bantul menangani bencana gempa. Tujuan utama adalah untuk mengerahkan semua sumber daya yang ada untuk mencapai tujuan organisasi yang berkaitan dengan melindungi dan menguangi kerentanan masyarakat terhadap bencana. Pemahaman teori berbasis sumber daya (resource based theory.RBT) dapat membantu organisasi mengidentifikasi sumber daya yang dimiliki organisasi untuk mencapai tujuannya. RBT menggunakan perspektif dari kap...

  6. Web Support for Activating Use of Theory in Group based Learning

    NARCIS (Netherlands)

    van der Veen, Johan (CTIT); van Riemsdijk, Maarten; Laagland, Eelko; Gommer, E.M.; Jones, Valerie M.; Davies, Gordon; Owen, Charles B.

    2000-01-01

    This paper describes a series of experiments conducted within the context of a course on organisational theory which is taught at the Department of Management Sciences at the University of Twente. In 1997 a group-based learning approach was adopted but after the first year it was apparent that

  7. Enhancing Student Motivation: A Longitudinal Intervention Study Based on Future Time Perspective Theory

    Science.gov (United States)

    Schuitema, Jaap; Peetsma, Thea; van der Veen, Ineke

    2014-01-01

    The authors investigated the effects of an intervention developed to enhance student motivation in the first years of secondary education. The intervention, based on future time perspective (FTP) theory, has been found to be effective in prevocational secondary education (T. T. D. Peetsma & I. Van der Veen, 2008, 2009). The authors extend the…

  8. Critically Evaluating Competing Theories: An Exercise Based on the Kitty Genovese Murder

    Science.gov (United States)

    Sagarin, Brad J.; Lawler-Sagarin, Kimberly A.

    2005-01-01

    We describe an exercise based on the 1964 murder of Catherine Genovese--a murder observed by 38 witnesses, none of whom called the police. Students read a summary of the murder and worked in small groups to design an experiment to test the competing theories for the inaction of the witnesses (Americans' selfishness and insensitivity vs. diffusion…

  9. Poverty Lines Based on Fuzzy Sets Theory and Its Application to Malaysian Data

    Science.gov (United States)

    Abdullah, Lazim

    2011-01-01

    Defining the poverty line has been acknowledged as being highly variable by the majority of published literature. Despite long discussions and successes, poverty line has a number of problems due to its arbitrary nature. This paper proposes three measurements of poverty lines using membership functions based on fuzzy set theory. The three…

  10. Predicting Study Abroad Intentions Based on the Theory of Planned Behavior

    Science.gov (United States)

    Schnusenberg, Oliver; de Jong, Pieter; Goel, Lakshmi

    2012-01-01

    The emphasis on study abroad programs is growing in the academic context as U.S. based universities seek to incorporate a global perspective in education. Using a model that has underpinnings in the theory of planned behavior (TPB), we predict students' intention to participate in short-term study abroad program. We use TPB to identify behavioral,…

  11. Application of Online Multimedia Courseware in College English Teaching Based on Constructivism Theory

    Science.gov (United States)

    Li, Zhenying

    2012-01-01

    Based on Constructivism Theory, this paper aims to investigate the application of online multimedia courseware to college English teaching. By making experiments and students' feedback, some experience has been accumulated, and some problems are discovered and certain revelations are acquired as well in English teaching practice, which pave the…

  12. An economic theory-based explanatory model of agricultural land-use patterns

    NARCIS (Netherlands)

    Diogo, V.; Koomen, E.; Kuhlman, T.

    2015-01-01

    An economic theory-based land-use modelling framework is presented aiming to explain the causal link between economic decisions and resulting spatial patterns of agricultural land use. The framework assumes that farmers pursue utility maximisation in agricultural production systems, while

  13. Assessment of Prevalence of Persons with Down Syndrome: A Theory-Based Demographic Model

    Science.gov (United States)

    de Graaf, Gert; Vis, Jeroen C.; Haveman, Meindert; van Hove, Geert; de Graaf, Erik A. B.; Tijssen, Jan G. P.; Mulder, Barbara J. M.

    2011-01-01

    Background: The Netherlands are lacking reliable empirical data in relation to the development of birth and population prevalence of Down syndrome. For the UK and Ireland there are more historical empirical data available. A theory-based model is developed for predicting Down syndrome prevalence in the Netherlands from the 1950s onwards. It is…

  14. Study on Construction of Forestry Socialized Service Systems Based on Barnard's Organizational Structure Theory

    Institute of Scientific and Technical Information of China (English)

    WANG Can-fu; CHENG Xiao-qiu

    2011-01-01

    Construction of forestry socialized service systems is the important content for reform of collective forestry tenure systems.Based on the necessity, possibility and problem of construction of forestry socialized service system, according to Barnard's Organizational Structure theory, the path and countermeasure of forestry socialized service system in China are discussed.

  15. The Council of Regional Accrediting Commissions Framework for Competency-Based Education: A Grounded Theory Study

    Science.gov (United States)

    Butland, Mark James

    2017-01-01

    Colleges facing pressures to increase student outcomes while reducing costs have shown an increasing interest in competency-based education (CBE) models. Regional accreditors created a joint policy on CBE evaluation. Two years later, through this grounded theory study, I sought to understand from experts the nature of this policy, its impact, and…

  16. Operationalizing Levels of Academic Mastery Based on Vygotsky's Theory: The Study of Mathematical Knowledge

    Science.gov (United States)

    Nezhnov, Peter; Kardanova, Elena; Vasilyeva, Marina; Ludlow, Larry

    2015-01-01

    The present study tested the possibility of operationalizing levels of knowledge acquisition based on Vygotsky's theory of cognitive growth. An assessment tool (SAM-Math) was developed to capture a hypothesized hierarchical structure of mathematical knowledge consisting of procedural, conceptual, and functional levels. In Study 1, SAM-Math was…

  17. A theory of longitudinally polarised piezocomposite rod based on Mindlin-Herrmann model

    CSIR Research Space (South Africa)

    Shatalov, M

    2010-09-01

    Full Text Available The conventional theory of the piezoelectric rod is based on an assumption that its lateral vibrations are negligible. In this case the rod, vibration could be described in terms of one-dimensional wave equation and a set of mechanical and electric...

  18. Determinants of oral hygiene behavior : a study based on the theory of planned behavior

    NARCIS (Netherlands)

    Buunk-Werkhoven, Y.A.; Dijkstra, Arie; van der Schans, C.P.

    Objective: The aim of this study was to develop an index for oral hygiene behavior (OHB) and to examine potential predictors of this actual behavior based on the theory of planned behavior (TPB). Measures of oral health knowledge (OHK) and the expected effect of having healthy teeth on social

  19. Prediction of Pure Component Adsorption Equilibria Using an Adsorption Isotherm Equation Based on Vacancy Solution Theory

    DEFF Research Database (Denmark)

    Marcussen, Lis; Aasberg-Petersen, K.; Krøll, Annette Elisabeth

    2000-01-01

    An adsorption isotherm equation for nonideal pure component adsorption based on vacancy solution theory and the Non-Random-Two-Liquid (NRTL) equation is found to be useful for predicting pure component adsorption equilibria at a variety of conditions. The isotherm equation is evaluated successfully...... adsorption systems, spreading pressure and isosteric heat of adsorption are also calculated....

  20. Theory of direct-interband-transition line shapes based on Mori's method

    International Nuclear Information System (INIS)

    Sam Nyung Yi; Jai Yon Ryu; Ok Hee Chung; Joung Young Sug; Sang Don Choi; Yeon Choon Chung

    1987-01-01

    A theory of direct interband optical transition in the electron-phonon system is introduced on the basis of the Kubo formalism and by using Mori's method of calculation. The line shape functions are introduced in two different ways and are compared with those obtained by Choi and Chung based on Argyres and Sigel's projection technique

  1. Variational second-order Moller-Plesset theory based on the Luttinger-Ward functional

    NARCIS (Netherlands)

    Dahlen, NE; von Barth, U

    2004-01-01

    In recent years there have been some rather successful applications of a new variational technique for calculating the total energies of electronic systems. The new method is based on many-body perturbation theory and uses the one-electron Green function as the basic "variable" rather than the wave

  2. Effect of Cognitive-Behavioral-Theory-Based Skill Training on Academic Procrastination Behaviors of University Students

    Science.gov (United States)

    Toker, Betül; Avci, Rasit

    2015-01-01

    This study examined the effectiveness of a cognitive-behavioral theory (CBT) psycho-educational group program on the academic procrastination behaviors of university students and the persistence of any training effect. This was a quasi-experimental research based on an experimental and control group pretest, posttest, and followup test model.…

  3. Basing assessment and treatment of problem behavior on behavioral momentum theory: Analyses of behavioral persistence.

    Science.gov (United States)

    Schieltz, Kelly M; Wacker, David P; Ringdahl, Joel E; Berg, Wendy K

    2017-08-01

    The connection, or bridge, between applied and basic behavior analysis has been long-established (Hake, 1982; Mace & Critchfield, 2010). In this article, we describe how clinical decisions can be based more directly on behavioral processes and how basing clinical procedures on behavioral processes can lead to improved clinical outcomes. As a case in point, we describe how applied behavior analyses of maintenance, and specifically the long-term maintenance of treatment effects related to problem behavior, can be adjusted and potentially enhanced by basing treatment on Behavioral Momentum Theory. We provide a brief review of the literature including descriptions of two translational studies that proposed changes in how differential reinforcement of alternative behavior treatments are conducted based on Behavioral Momentum Theory. We then describe current clinical examples of how these translations are continuing to impact the definitions, designs, analyses, and treatment procedures used in our clinical practice. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. A Test in the High School Context of Berdahl's Status Theory of Sex-Based Harassment.

    Science.gov (United States)

    Shute, Rosalyn H

    2017-10-01

    This study, carried out in the high school context, is the first direct test of Berdahl's status theory of sex-based harassment. The theory covers not just male harassment of females, but female harassment of males and same-sex harassment. Participants were 771 males and 679 females, from Years 8 to 10, in five co-educational lower socioeconomic status (SES) Australian city schools, participating in a wider study of peer victimization. They indicated on a 5-point scale (from never to almost every day) how frequently they had experienced each of six sex-based harassment behaviors over the previous year, from same-sex and from opposite-sex peers, and responded to a question about sense of safety at school. Nonparametric analyses supported five of seven hypotheses derived from the theory: boys harassed others most often, girls were harassed most often, boy-to-girl harassment was the most frequent, girls harassed girls more than they did boys, and girl-to-boy harassment was the least frequent. However, contrary to the theory, boys' same-sex harassment was no more frequent than that between girls, and girl-to-girl harassment was just as threatening to victims' sense of safety as boy-to-boy harassment. The study largely supports Berdahl's theory. The unexpected results can be understood in terms of the intimate nature of adolescent girls' groups in high schools and their centrality for identity formation. In this context, girls are highly motivated to defend their status in terms of stereotypically feminine standards regarding appearance, sexual activity, and access to high-status boys. The theory implies that structural changes to reduce the salience of sex differences and sex stereotyping will be crucial to efforts to address sex-based harassment.

  5. towards a theory-based multi-dimensional framework for assessment in mathematics: The "SEA" framework

    Science.gov (United States)

    Anku, Sitsofe E.

    1997-09-01

    Using the reform documents of the National Council of Teachers of Mathematics (NCTM) (NCTM, 1989, 1991, 1995), a theory-based multi-dimensional assessment framework (the "SEA" framework) which should help expand the scope of assessment in mathematics is proposed. This framework uses a context based on mathematical reasoning and has components that comprise mathematical concepts, mathematical procedures, mathematical communication, mathematical problem solving, and mathematical disposition.

  6. Reference Frame Fields based on Quantum Theory Representations of Real and Complex Numbers

    OpenAIRE

    Benioff, Paul

    2007-01-01

    A quantum theory representations of real (R) and complex (C) numbers is given that is based on states of single, finite strings of qukits for any base k > 1. Both unary representations and the possibility that qukits with k a prime number are elementary and the rest composite are discussed. Cauchy sequences of qukit string states are defined from the arithmetic properties. The representations of R and C, as equivalence classes of these sequences, differ from classical kit string state represe...

  7. Implementing software based on relation frame theory to develop and increase relational cognitive skills

    Science.gov (United States)

    Presti, Giovambattista; Messina, Concetta; Mongelli, Francesca; Sireci, Maria Josè; Collotta, Mario

    2017-11-01

    Relational Frame Theory is a post-skinnerian theory of language and cognition based on more than thirty years of basic and applied research. It defines language and cognitive skills as an operant repertoire of responses to arbitrarily related stimuli specific, as far as is now known, of the human species. RFT has been proved useful in addressing cognitive barriers to human action in psychotherapy and also improving children skills in reading, IQ testing, and in metaphoric and categorical repertoires. We present a frame of action where RFT can be used in programming software to help autistic children to develop cognitive skills within a developmental vision.

  8. A theory of timing in scintillation counters based on maximum likelihood estimation

    International Nuclear Information System (INIS)

    Tomitani, Takehiro

    1982-01-01

    A theory of timing in scintillation counters based on the maximum likelihood estimation is presented. An optimum filter that minimizes the variance of timing is described. A simple formula to estimate the variance of timing is presented as a function of photoelectron number, scintillation decay constant and the single electron transit time spread in the photomultiplier. The present method was compared with the theory by E. Gatti and V. Svelto. The proposed method was applied to two simple models and rough estimations of potential time resolution of several scintillators are given. The proposed method is applicable to the timing in Cerenkov counters and semiconductor detectors as well. (author)

  9. Droop Control with an Adjustable Complex Virtual Impedance Loop based on Cloud Model Theory

    DEFF Research Database (Denmark)

    Li, Yan; Shuai, Zhikang; Xu, Qinming

    2016-01-01

    Droop control framework with an adjustable virtual impedance loop is proposed in this paper, which is based on the cloud model theory. The proposed virtual impedance loop includes two terms: a negative virtual resistor and an adjustable virtual inductance. The negative virtual resistor term...... sometimes. The cloud model theory is applied to get online the changing line impedance value, which relies on the relevance of the reactive power responding the changing line impedance. The verification of the proposed control strategy is done according to the simulation in a low voltage microgrid in Matlab....

  10. Reduced density matrix functional theory via a wave function based approach

    Energy Technology Data Exchange (ETDEWEB)

    Schade, Robert; Bloechl, Peter [Institute for Theoretical Physics, Clausthal University of Technology, Clausthal (Germany); Pruschke, Thomas [Institute for Theoretical Physics, University of Goettingen, Goettingen (Germany)

    2016-07-01

    We propose a new method for the calculation of the electronic and atomic structure of correlated electron systems based on reduced density matrix functional theory (rDMFT). The density-matrix functional is evaluated on the fly using Levy's constrained search formalism. The present implementation rests on a local approximation of the interaction reminiscent to that of dynamical mean field theory (DMFT). We focus here on additional approximations to the exact density-matrix functional in the local approximation and evaluate their performance.

  11. An information theory-based approach to modeling the information processing of NPP operators

    International Nuclear Information System (INIS)

    Kim, Jong Hyun; Seong, Poong Hyun

    2002-01-01

    This paper proposes a quantitative approach to modeling the information processing of NPP operators. The aim of this work is to derive the amount of the information processed during a certain control task. The focus will be on i) developing a model for information processing of NPP operators and ii) quantifying the model. To resolve the problems of the previous approaches based on the information theory, i.e. the problems of single channel approaches, we primarily develop the information processing model having multiple stages, which contains information flows. Then the uncertainty of the information is quantified using the Conant's model, a kind of information theory

  12. Study on combat effectiveness of air defense missile weapon system based on queuing theory

    Science.gov (United States)

    Zhao, Z. Q.; Hao, J. X.; Li, L. J.

    2017-01-01

    Queuing Theory is a method to analyze the combat effectiveness of air defense missile weapon system. The model of service probability based on the queuing theory was constructed, and applied to analyzing the combat effectiveness of "Sidewinder" and "Tor-M1" air defense missile weapon system. Finally aimed at different targets densities, the combat effectiveness of different combat units of two types' defense missile weapon system is calculated. This method can be used to analyze the usefulness of air defense missile weapon system.

  13. Theory-based scaling of the SOL width in circular limited tokamak plasmas

    International Nuclear Information System (INIS)

    Halpern, F.D.; Ricci, P.; Labit, B.; Furno, I.; Jolliet, S.; Loizu, J.; Mosetto, A.; Arnoux, G.; Silva, C.; Gunn, J.P.; Horacek, J.; Kočan, M.; LaBombard, B.

    2013-01-01

    A theory-based scaling for the characteristic length of a circular, limited tokamak scrape-off layer (SOL) is obtained by considering the balance between parallel losses and non-linearly saturated resistive ballooning mode turbulence driving anomalous perpendicular transport. The SOL size increases with plasma size, resistivity, and safety factor q. The scaling is verified against flux-driven non-linear turbulence simulations, which reveal good agreement within a wide range of dimensionless parameters, including parameters closely matching the TCV tokamak. An initial comparison of the theory against experimental data from several tokamaks also yields good agreement. (letter)

  14. Uncertainty, Pluralism, and the Knowledge-Based Theory of the Firm

    DEFF Research Database (Denmark)

    Reihlen, Markus; Ringberg, Torsten

    2013-01-01

    -cultural conventions and other social processes. Although comprehensive in scope, we argue that a knowledge-based theory of the firm needs to integrate a cognitivist approach that includes the synergetic production of tacit and explicit knowledge, the role of reflective thinking in resolving strategic uncertainties......, and the interaction between the individual and the social. This socio-cognitive theory of the firm posits that sustained competitive advantage of a firm is founded on the ability to align knowledge internally within the firm as well as externally with its stakeholders through the individual sense-making of feedback...

  15. Intervention mapping protocol for developing a theory-based diabetes self-management education program.

    Science.gov (United States)

    Song, Misoon; Choi, Suyoung; Kim, Se-An; Seo, Kyoungsan; Lee, Soo Jin

    2015-01-01

    Development of behavior theory-based health promotion programs is encouraged with the paradigm shift from contents to behavior outcomes. This article describes the development process of the diabetes self-management program for older Koreans (DSME-OK) using intervention mapping (IM) protocol. The IM protocol includes needs assessment, defining goals and objectives, identifying theory and determinants, developing a matrix to form change objectives, selecting strategies and methods, structuring the program, and planning for evaluation and pilot testing. The DSME-OK adopted seven behavior objectives developed by the American Association of Diabetes Educators as behavioral outcomes. The program applied an information-motivation-behavioral skills model, and interventions were targeted to 3 determinants to change health behaviors. Specific methods were selected to achieve each objective guided by IM protocol. As the final step, program evaluation was planned including a pilot test. The DSME-OK was structured as the 3 determinants of the IMB model were intervened to achieve behavior objectives in each session. The program has 12 weekly 90-min sessions tailored for older adults. Using the IM protocol in developing a theory-based self-management program was beneficial in terms of providing a systematic guide to developing theory-based and behavior outcome-focused health education programs.

  16. Comment on the consistency of truncated nonlinear integral equation based theories of freezing

    International Nuclear Information System (INIS)

    Cerjan, C.; Bagchi, B.; Rice, S.A.

    1985-01-01

    We report the results of two studies of aspects of the consistency of truncated nonlinear integral equation based theories of freezing: (i) We show that the self-consistent solutions to these nonlinear equations are unfortunately sensitive to the level of truncation. For the hard sphere system, if the Wertheim--Thiele representation of the pair direct correlation function is used, the inclusion of part but not all of the triplet direct correlation function contribution, as has been common, worsens the predictions considerably. We also show that the convergence of the solutions found, with respect to number of reciprocal lattice vectors kept in the Fourier expansion of the crystal singlet density, is slow. These conclusions imply great sensitivity to the quality of the pair direct correlation function employed in the theory. (ii) We show the direct correlation function based and the pair correlation function based theories of freezing can be cast into a form which requires solution of isomorphous nonlinear integral equations. However, in the pair correlation function theory the usual neglect of the influence of inhomogeneity of the density distribution on the pair correlation function is shown to be inconsistent to the lowest order in the change of density on freezing, and to lead to erroneous predictions

  17. Game theory

    DEFF Research Database (Denmark)

    Hendricks, Vincent F.

    Game Theory is a collection of short interviews based on 5 questions presented to some of the most influential and prominent scholars in game theory. We hear their views on game theory, its aim, scope, use, the future direction of game theory and how their work fits in these respects....

  18. Relativistic many-body perturbation-theory calculations based on Dirac-Fock-Breit wave functions

    International Nuclear Information System (INIS)

    Ishikawa, Y.; Quiney, H.M.

    1993-01-01

    A relativistic many-body perturbation theory based on the Dirac-Fock-Breit wave functions has been developed and implemented by employing analytic basis sets of Gaussian-type functions. The instantaneous Coulomb and low-frequency Breit interactions are treated using a unified formalism in both the construction of the Dirac-Fock-Breit self-consistent-field atomic potential and in the evaluation of many-body perturbation-theory diagrams. The relativistic many-body perturbation-theory calculations have been performed on the helium atom and ions of the helium isoelectronic sequence up to Z=50. The contribution of the low-frequency Breit interaction to the relativistic correlation energy is examined for the helium isoelectronic sequence

  19. The effect of an interventional program based on the Theory of Ethology on infant breastfeeding competence

    Directory of Open Access Journals (Sweden)

    aghdas karimi

    2014-12-01

    Full Text Available Introduction: according to the ethology theory mother infant separation immediately after birth can interfere with the infants innate behaviors for the initiation of breastfeeding. The aim of this study was to the effect of an interventional program based on the Theory of Ethology on infant breast feeding competence Materials and Methods: 114 primiparous, Iranian, healthy, full term mothers between 18-35 years with normal vaginal delivery who intended to breastfeed their babies. They were put in direct skin to skin contact with their infants immediately after birth for two hours. Then, rates of infant breastfeeding competence were compared with a control group receiving routine hospital cares. Results: Rates of infant breastfeeding competence were higher in the skin to skin contact group compared to routine care group (p=0.0001. Conclusion: mother- infant early skin to skin contact promotes infants natural feeding behaviors leading to higher rates of infant breastfeeding competence. These findings confirm the Theory of Ethology.

  20. The effect of an interventional program based on the Theory of Ethology on infant breastfeeding competence

    Directory of Open Access Journals (Sweden)

    aghdas karimi

    2014-08-01

    Full Text Available Introduction: according to the ethology theory mother infant separation immediately after birth can interfere with the infants innate behaviors for the initiation of breastfeeding. The aim of this study was to the effect of an interventional program based on the Theory of Ethology on infant breast feeding competence Materials and Methods: 114 primiparous, Iranian, healthy, full term mothers between 18-35 years with normal vaginal delivery who intended to breastfeed their babies. They were put in direct skin to skin contact with their infants immediately after birth for two hours. Then, rates of infant breastfeeding competence were compared with a control group receiving routine hospital cares. Results: Rates of infant breastfeeding competence were higher in the skin to skin contact group compared to routine care group (p=0.0001. Conclusion: mother- infant early skin to skin contact promotes infants natural feeding behaviors leading to higher rates of infant breastfeeding competence. These findings confirm the Theory of Ethology.

  1. Robust stabilization control based on guardian maps theory for a longitudinal model of hypersonic vehicle.

    Science.gov (United States)

    Liu, Yanbin; Liu, Mengying; Sun, Peihua

    2014-01-01

    A typical model of hypersonic vehicle has the complicated dynamics such as the unstable states, the nonminimum phases, and the strong coupling input-output relations. As a result, designing a robust stabilization controller is essential to implement the anticipated tasks. This paper presents a robust stabilization controller based on the guardian maps theory for hypersonic vehicle. First, the guardian maps theories are provided to explain the constraint relations between the open subsets of complex plane and the eigenvalues of the state matrix of closed-loop control system. Then, a general control structure in relation to the guardian maps theories is proposed to achieve the respected design demands. Furthermore, the robust stabilization control law depending on the given general control structure is designed for the longitudinal model of hypersonic vehicle. Finally, a simulation example is provided to verify the effectiveness of the proposed methods.

  2. Suppression of panel flutter of near-space aircraft based on non-probabilistic reliability theory

    Directory of Open Access Journals (Sweden)

    Ye-Wei Zhang

    2016-03-01

    Full Text Available The vibration active control of the composite panels with the uncertain parameters in the hypersonic flow is studied using the non-probabilistic reliability theory. Using the piezoelectric patches as active control actuators, dynamic equations of panel are established by finite element method and Hamilton’s principle. And the control model of panel with uncertain parameters is obtained. According to the non-probabilistic reliability index, and besides being based on H∞ robust control theory and non-probabilistic reliability theory, the non-probabilistic reliability performance function is given. Moreover, the relationships between the robust controller and H∞ performance index and reliability are established. Numerical results show that the control method under the influence of reliability, H∞ performance index, and approaching velocity is effective to the vibration suppression of panel in the whole interval of uncertain parameters.

  3. Cancer-Related Fatigue in Post-Treatment Cancer Survivors: Theory-Based Development of a Web-Based Intervention.

    Science.gov (United States)

    Corbett, Teresa; Walsh, Jane C; Groarke, AnnMarie; Moss-Morris, Rona; Morrissey, Eimear; McGuire, Brian E

    2017-07-04

    Cancer-related fatigue (CrF) is the most common and disruptive symptom experienced by cancer survivors. We aimed to develop a theory-based, interactive Web-based intervention designed to facilitate self-management and enhance coping with CrF following cancer treatment. The aim of our study was to outline the rationale, decision-making processes, methods, and findings which led to the development of a Web-based intervention to be tested in a feasibility trial. This paper outlines the process and method of development of the intervention. An extensive review of the literature and qualitative research was conducted to establish a therapeutic approach for this intervention, based on theory. The psychological principles used in the development process are outlined, and we also clarify hypothesized causal mechanisms. We describe decision-making processes involved in the development of the content of the intervention, input from the target patient group and stakeholders, the design of the website features, and the initial user testing of the website. The cocreation of the intervention with the experts and service users allowed the design team to ensure that an acceptable intervention was developed. This evidence-based Web-based program is the first intervention of its kind based on self-regulation model theory, with the primary aim of targeting the representations of fatigue and enhancing self-management of CrF, specifically. This research sought to integrate psychological theory, existing evidence of effective interventions, empirically derived principles of Web design, and the views of potential users into the systematic planning and design of the intervention of an easy-to-use website for cancer survivors. ©Teresa Corbett, Jane C Walsh, AnnMarie Groarke, Rona Moss-Morris, Eimear Morrissey, Brian E McGuire. Originally published in JMIR Cancer (http://cancer.jmir.org), 04.07.2017.

  4. Taking Root: a grounded theory on evidence-based nursing implementation in China.

    Science.gov (United States)

    Cheng, L; Broome, M E; Feng, S; Hu, Y

    2018-06-01

    Evidence-based nursing is widely recognized as the critical foundation for quality care. To develop a middle-range theory on the process of evidence-based nursing implementation in Chinese context. A grounded theory study using unstructured in-depth individual interviews was conducted with 56 participants who were involved in 24 evidence-based nursing implementation projects in Mainland China from September 2015 to September 2016. A middle-range grounded theory of 'Taking Root' was developed. The theory describes the evidence implementation process consisting of four components (driving forces, process, outcome, sustainment/regression), three approaches (top-down, bottom-up and outside-in), four implementation strategies (patient-centred, nurses at the heart of change, reaching agreement, collaboration) and two patterns (transformational and adaptive implementation). Certain perspectives may have not been captured, as the retrospective nature of the interviewing technique did not allow for 'real-time' assessment of the actual implementation process. The transferability of the findings requires further exploration as few participants with negative experiences were recruited. This is the first study that explored evidence-based implementation process, strategies, approaches and patterns in the Chinese nursing practice context to inform international nursing and health policymaking. The theory of Taking Root described various approaches to evidence implementation and how the implementation can be transformational for the nurses and the setting in which they work. Nursing educators, managers and researchers should work together to improve nurses' readiness for evidence implementation. Healthcare systems need to optimize internal mechanisms and external collaborations to promote nursing practice in line with evidence and achieve clinical outcomes and sustainability. © 2017 International Council of Nurses.

  5. An interface energy density-based theory considering the coherent interface effect in nanomaterials

    Science.gov (United States)

    Yao, Yin; Chen, Shaohua; Fang, Daining

    2017-02-01

    To characterize the coherent interface effect conveniently and feasibly in nanomaterials, a continuum theory is proposed that is based on the concept of the interface free energy density, which is a dominant factor affecting the mechanical properties of the coherent interface in materials of all scales. The effect of the residual strain caused by self-relaxation and the lattice misfit of nanomaterials, as well as that due to the interface deformation induced by an external load on the interface free energy density is considered. In contrast to the existing theories, the stress discontinuity at the interface is characterized by the interface free energy density through an interface-induced traction. As a result, the interface elastic constant introduced in previous theories, which is not easy to determine precisely, is avoided in the present theory. Only the surface energy density of the bulk materials forming the interface, the relaxation parameter induced by surface relaxation, and the mismatch parameter for forming a coherent interface between the two surfaces are involved. All the related parameters are far easier to determine than the interface elastic constants. The effective bulk and shear moduli of a nanoparticle-reinforced nanocomposite are predicted using the proposed theory. Closed-form solutions are achieved, demonstrating the feasibility and convenience of the proposed model for predicting the interface effect in nanomaterials.

  6. Computing molecular fluctuations in biochemical reaction systems based on a mechanistic, statistical theory of irreversible processes.

    Science.gov (United States)

    Kulasiri, Don

    2011-01-01

    We discuss the quantification of molecular fluctuations in the biochemical reaction systems within the context of intracellular processes associated with gene expression. We take the molecular reactions pertaining to circadian rhythms to develop models of molecular fluctuations in this chapter. There are a significant number of studies on stochastic fluctuations in intracellular genetic regulatory networks based on single cell-level experiments. In order to understand the fluctuations associated with the gene expression in circadian rhythm networks, it is important to model the interactions of transcriptional factors with the E-boxes in the promoter regions of some of the genes. The pertinent aspects of a near-equilibrium theory that would integrate the thermodynamical and particle dynamic characteristics of intracellular molecular fluctuations would be discussed, and the theory is extended by using the theory of stochastic differential equations. We then model the fluctuations associated with the promoter regions using general mathematical settings. We implemented ubiquitous Gillespie's algorithms, which are used to simulate stochasticity in biochemical networks, for each of the motifs. Both the theory and the Gillespie's algorithms gave the same results in terms of the time evolution of means and variances of molecular numbers. As biochemical reactions occur far away from equilibrium-hence the use of the Gillespie algorithm-these results suggest that the near-equilibrium theory should be a good approximation for some of the biochemical reactions. © 2011 Elsevier Inc. All rights reserved.

  7. Risk Oriented Audit Methodology’s Improvement, based on the Fraud Theory

    Directory of Open Access Journals (Sweden)

    Sergei V. Arzhenovskii

    2016-12-01

    Full Text Available Modern economic development is accompanied by the increasing complexity of the relationship structure, intercompany transactions, the requirements for information disclosure on the entity’s activities. It leads to the opportunities growth of fraudulent representation public companies reporting. The external audit is considered as an institution that resists to negative processes. The issues of improving the tools that assessing the risk of material misstatement of the financial statements due to fraud from the standpoint the fraud theory have been examined here. Determining potential areas in which methodology for risk assessment of material misstatement of the financial statements due to fraud in an audit are based on the modern fraud theory interpretations will be develop. Functional and structural, comparative, logical and historical, deductive and inductive analyst methods have been used. Retrospective analysis on research areas in the fraud theory field has been performed. Perspective directions for improving methodology and methods for risk assessment of material misstatement of the financial statements in an audit have been identified. Methodology development for fraud risk assessment procedures in an audit of financial statements is based on “fraud diamond” theory. Creating new interpretations the fraud theory during last fifteen years is a consequence the expansion opportunities for corporate fraud, one of the most common species which is the financial statements falsification. Changing the list of factors that could initiate the fraud in the company's public reporting requires that the methods of its identification during the audit should be improved. Methodology and methods risk assessment of intentional material misstatement of the financial statements need to be improved in the direction both the modern modification of fraud theory.

  8. Theory of reasoned action and theory of planned behavior-based dietary interventions in adolescents and young adults: a systematic review

    OpenAIRE

    Hackman CL; Knowlden AP

    2014-01-01

    Christine L Hackman, Adam P KnowldenDepartment of Health Science, The University of Alabama, Tuscaloosa, AL, USABackground: Childhood obesity has reached epidemic proportions in many nations around the world. The theory of planned behavior (TPB) and the theory of reasoned action (TRA) have been used to successfully plan and evaluate numerous interventions for many different behaviors. The aim of this study was to systematically review and synthesize TPB and TRA-based dietary behavior interven...

  9. A Theory of Evolving Natural Constants Based on the Unification of General Theory of Relativity and Dirac's Large Number Hypothesis

    International Nuclear Information System (INIS)

    Peng Huanwu

    2005-01-01

    Taking Dirac's large number hypothesis as true, we have shown [Commun. Theor. Phys. (Beijing, China) 42 (2004) 703] the inconsistency of applying Einstein's theory of general relativity with fixed gravitation constant G to cosmology, and a modified theory for varying G is found, which reduces to Einstein's theory outside the gravitating body for phenomena of short duration in small distances, thereby agrees with all the crucial tests formerly supporting Einstein's theory. The modified theory, when applied to the usual homogeneous cosmological model, gives rise to a variable cosmological tensor term determined by the derivatives of G, in place of the cosmological constant term usually introduced ad hoc. Without any free parameter the theoretical Hubble's relation obtained from the modified theory seems not in contradiction to observations, as Dr. Wang's preliminary analysis of the recent data indicates [Commun. Theor. Phys. (Beijing, China) 42 (2004) 703]. As a complement to Commun. Theor. Phys. (Beijing, China) 42 (2004) 703 we shall study in this paper the modification of electromagnetism due to Dirac's large number hypothesis in more detail to show that the approximation of geometric optics still leads to null geodesics for the path of light, and that the general relation between the luminosity distance and the proper geometric distance is still valid in our theory as in Einstein's theory, and give the equations for homogeneous cosmological model involving matter plus electromagnetic radiation. Finally we consider the impact of the modification to quantum mechanics and statistical mechanics, and arrive at a systematic theory of evolving natural constants including Planck's h-bar as well as Boltzmann's k B by finding out their cosmologically combined counterparts with factors of appropriate powers of G that may remain truly constant to cosmologically long time.

  10. Comparison of ITER performance predicted by semi-empirical and theory-based transport models

    International Nuclear Information System (INIS)

    Mukhovatov, V.; Shimomura, Y.; Polevoi, A.

    2003-01-01

    The values of Q=(fusion power)/(auxiliary heating power) predicted for ITER by three different methods, i.e., transport model based on empirical confinement scaling, dimensionless scaling technique, and theory-based transport models are compared. The energy confinement time given by the ITERH-98(y,2) scaling for an inductive scenario with plasma current of 15 MA and plasma density 15% below the Greenwald value is 3.6 s with one technical standard deviation of ±14%. These data are translated into a Q interval of [7-13] at the auxiliary heating power P aux = 40 MW and [7-28] at the minimum heating power satisfying a good confinement ELMy H-mode. Predictions of dimensionless scalings and theory-based transport models such as Weiland, MMM and IFS/PPPL overlap with the empirical scaling predictions within the margins of uncertainty. (author)

  11. A User Cooperation Stimulating Strategy Based on Cooperative Game Theory in Cooperative Relay Networks

    Directory of Open Access Journals (Sweden)

    Ping Zhang

    2009-01-01

    Full Text Available This paper proposes a user cooperation stimulating strategy among rational users. The strategy is based on cooperative game theory and enacted in the context of cooperative relay networks. Using the pricing-based mechanism, the system is modeled initially with two nodes and a Base Station (BS. Within this framework, each node is treated as a rational decision maker. To this end, each node can decide whether to cooperate and how to cooperate. Cooperative game theory assists in providing an optimal system utility and provides fairness among users. Under different cooperative forwarding modes, certain questions are carefully investigated, including “what is each node's best reaction to maximize its utility?” and “what is the optimal reimbursement to encourage cooperation?” Simulation results show that the nodes benefit from the proposed cooperation stimulating strategy in terms of utility and thus justify the fairness between each user.

  12. A User Cooperation Stimulating Strategy Based on Cooperative Game Theory in Cooperative Relay Networks

    Directory of Open Access Journals (Sweden)

    Jiang Fan

    2009-01-01

    Full Text Available This paper proposes a user cooperation stimulating strategy among rational users. The strategy is based on cooperative game theory and enacted in the context of cooperative relay networks. Using the pricing-based mechanism, the system is modeled initially with two nodes and a Base Station (BS. Within this framework, each node is treated as a rational decision maker. To this end, each node can decide whether to cooperate and how to cooperate. Cooperative game theory assists in providing an optimal system utility and provides fairness among users. Under different cooperative forwarding modes, certain questions are carefully investigated, including "what is each node's best reaction to maximize its utility?" and "what is the optimal reimbursement to encourage cooperation?" Simulation results show that the nodes benefit from the proposed cooperation stimulating strategy in terms of utility and thus justify the fairness between each user.

  13. Cooperative Localization for Multi-AUVs Based on GM-PHD Filters and Information Entropy Theory

    Directory of Open Access Journals (Sweden)

    Lichuan Zhang

    2017-10-01

    Full Text Available Cooperative localization (CL is considered a promising method for underwater localization with respect to multiple autonomous underwater vehicles (multi-AUVs. In this paper, we proposed a CL algorithm based on information entropy theory and the probability hypothesis density (PHD filter, aiming to enhance the global localization accuracy of the follower. In the proposed framework, the follower carries lower cost navigation systems, whereas the leaders carry better ones. Meanwhile, the leaders acquire the followers’ observations, including both measurements and clutter. Then, the PHD filters are utilized on the leaders and the results are communicated to the followers. The followers then perform weighted summation based on all received messages and obtain a final positioning result. Based on the information entropy theory and the PHD filter, the follower is able to acquire a precise knowledge of its position.

  14. Soft Measurement Modeling Based on Chaos Theory for Biochemical Oxygen Demand (BOD

    Directory of Open Access Journals (Sweden)

    Junfei Qiao

    2016-12-01

    Full Text Available The precision of soft measurement for biochemical oxygen demand (BOD is always restricted due to various factors in the wastewater treatment plant (WWTP. To solve this problem, a new soft measurement modeling method based on chaos theory is proposed and is applied to BOD measurement in this paper. Phase space reconstruction (PSR based on Takens embedding theorem is used to extract more information from the limited datasets of the chaotic system. The WWTP is first testified as a chaotic system by the correlation dimension (D, the largest Lyapunov exponents (λ1, the Kolmogorov entropy (K of the BOD and other water quality parameters time series. Multivariate chaotic time series modeling method with principal component analysis (PCA and artificial neural network (ANN is then adopted to estimate the value of the effluent BOD. Simulation results show that the proposed approach has higher accuracy and better prediction ability than the corresponding modeling approaches not based on chaos theory.

  15. Theory and experiments in model-based space system anomaly management

    Science.gov (United States)

    Kitts, Christopher Adam

    This research program consists of an experimental study of model-based reasoning methods for detecting, diagnosing and resolving anomalies that occur when operating a comprehensive space system. Using a first principles approach, several extensions were made to the existing field of model-based fault detection and diagnosis in order to develop a general theory of model-based anomaly management. Based on this theory, a suite of algorithms were developed and computationally implemented in order to detect, diagnose and identify resolutions for anomalous conditions occurring within an engineering system. The theory and software suite were experimentally verified and validated in the context of a simple but comprehensive, student-developed, end-to-end space system, which was developed specifically to support such demonstrations. This space system consisted of the Sapphire microsatellite which was launched in 2001, several geographically distributed and Internet-enabled communication ground stations, and a centralized mission control complex located in the Space Technology Center in the NASA Ames Research Park. Results of both ground-based and on-board experiments demonstrate the speed, accuracy, and value of the algorithms compared to human operators, and they highlight future improvements required to mature this technology.

  16. Evaluating clinical simulations for learning procedural skills: a theory-based approach.

    Science.gov (United States)

    Kneebone, Roger

    2005-06-01

    Simulation-based learning is becoming widely established within medical education. It offers obvious benefits to novices learning invasive procedural skills, especially in a climate of decreasing clinical exposure. However, simulations are often accepted uncritically, with undue emphasis being placed on technological sophistication at the expense of theory-based design. The author proposes four key areas that underpin simulation-based learning, and summarizes the theoretical grounding for each. These are (1) gaining technical proficiency (psychomotor skills and learning theory, the importance of repeated practice and regular reinforcement), (2) the place of expert assistance (a Vygotskian interpretation of tutor support, where assistance is tailored to each learner's needs), (3) learning within a professional context (situated learning and contemporary apprenticeship theory), and (4) the affective component of learning (the effect of emotion on learning). The author then offers four criteria for critically evaluating new or existing simulations, based on the theoretical framework outlined above. These are: (1) Simulations should allow for sustained, deliberate practice within a safe environment, ensuring that recently-acquired skills are consolidated within a defined curriculum which assures regular reinforcement; (2) simulations should provide access to expert tutors when appropriate, ensuring that such support fades when no longer needed; (3) simulations should map onto real-life clinical experience, ensuring that learning supports the experience gained within communities of actual practice; and (4) simulation-based learning environments should provide a supportive, motivational, and learner-centered milieu which is conducive to learning.

  17. Continuous Transition between Brillouin-Wigner and Rayleigh-Schrödinger Perturbation Theory, Generalized Bloch Equation, and Hilbert Space Multireference Coupled Cluster

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří

    2003-01-01

    Roč. 118, č. 24 (2003), s. 10876-10889 ISSN 0021-9606 R&D Projects: GA MŠk OC D23.001; GA ČR GA203/99/D009; GA AV ČR IAA4040108 Institutional research plan: CEZ:AV0Z4040901 Keywords : continuous transition * Brillouin-Wigner * Rayleigh-Schrödinger Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.950, year: 2003

  18. The Circuit Theory Behind Coupled-Mode Magnetic Resonance-Based Wireless Power Transmission.

    Science.gov (United States)

    Kiani, Mehdi; Ghovanloo, Maysam

    2012-09-01

    Inductive coupling is a viable scheme to wirelessly energize devices with a wide range of power requirements from nanowatts in radio frequency identification tags to milliwatts in implantable microelectronic devices, watts in mobile electronics, and kilowatts in electric cars. Several analytical methods for estimating the power transfer efficiency (PTE) across inductive power transmission links have been devised based on circuit and electromagnetic theories by electrical engineers and physicists, respectively. However, a direct side-by-side comparison between these two approaches is lacking. Here, we have analyzed the PTE of a pair of capacitively loaded inductors via reflected load theory (RLT) and compared it with a method known as coupled-mode theory (CMT). We have also derived PTE equations for multiple capacitively loaded inductors based on both RLT and CMT. We have proven that both methods basically result in the same set of equations in steady state and either method can be applied for short- or midrange coupling conditions. We have verified the accuracy of both methods through measurements, and also analyzed the transient response of a pair of capacitively loaded inductors. Our analysis shows that the CMT is only applicable to coils with high quality factor ( Q ) and large coupling distance. It simplifies the analysis by reducing the order of the differential equations by half compared to the circuit theory.

  19. Asymmetric Invisibility Cloaking Theory Based on the Concept of Effective Electromagnetic Fields for Photons

    Science.gov (United States)

    Amemiya, Tomo; Taki, Masato; Kanazawa, Toru; Arai, Shigehisa

    2014-03-01

    The asymmetric invisibility cloak is a special cloak with unidirectional transparency; that is, a person in the cloak should not be seen from the outside but should be able to see the outside. Existing theories of designing invisibility cloaks cannot be used for asymmetric cloaking because they are based on the transformation optics that uses Riemannian metric tensor independent of direction. To overcome this problem, we propose introducing directionality into invisibility cloaking. Our theory is based on ``the theory of effective magnetic field for photons'' proposed by Stanford University.[2] To realize asymmetric cloaking, we have extended the Stanford's theory to add the concept of ``effective electric field for photons.'' The effective electric and the magnetic field can be generated using a photonc resonator lattice, which is a kind of metamaterial. The Hamiltonian for photons in these fields has a similar form to that of the Hamiltonian for a charged particle in an electromagnetic field. An incident photon therefore experiences a ``Lorentz-like'' and a ``Coulomb-like'' force and shows asymmetric movement depending of its travelling direction.We show the procedure of designing actual invisibility cloaks using the photonc resonator lattice and confirm their operation with the aid of computer simulation. This work was supported in part by the MEXT; JSPS KAKENHI Grant Numbers #24246061, #24656046, #25420321, #25420322.

  20. Phase Coordinate System and p-q Theory Based Methods in Active Filtering Implementation

    Directory of Open Access Journals (Sweden)

    POPESCU, M.

    2013-02-01

    Full Text Available This paper is oriented towards implementation of the main theories of powers in the compensating current generation stage of a three-phase three-wire shunt active power system. The system control is achieved through a dSPACE 1103 platform which is programmed under the Matlab/Simulink environment. Four calculation blocks included in a specifically designed Simulink library are successively implemented in the experimental setup. The first two approaches, namely those based on the Fryze-Buchholz-Depenbrock theory and the generalized instantaneous reactive power theory, make use of phase quantities without any transformation of the coordinate system and provide the basis for calculating the compensating current when total compensation is desired. The others are based on the p-q theory concepts and require the direct and reverse transformation to/from the two-phases stationary reference frame. They are used for total compensation and partial compensation of the current harmonic distortion. The experimental results, in terms of active filtering performances, validate the control strategies implementation and provide arguments in choosing the most appropriate method.

  1. A conceptual model of social entrepreneurial intention based on the social cognitive career theory

    Directory of Open Access Journals (Sweden)

    Anh T.P. Tran

    2017-01-01

    Full Text Available Purpose - Entrepreneurial intention plays a major role in entrepreneurship academia and practice. However, little is known about the intentions of entrepreneurs in the social area of venture creation. This paper aims to formulate a well-organized model of social entrepreneurial intention. Design/methodology/approach - The paper draws on intention models in entrepreneurship literature in general and social entrepreneurship in particular to identify gaps. Based on these findings, a new conceptual model is formulated. Findings - There is no research to be found which uses the social cognitive career theory (SCCT to explain about an individual’s intention to become a social entrepreneur, although this theory is recently suggested as an inclusive framework for entrepreneurial intention (Doan Winkel et al., 2011. It is also supportive by the empirical research of Segal et al. (2002. Therefore, a conceptual model of entrepreneurial intention in the field of social entrepreneurship is formulated based on adapting and extending the SCCT. Originality/value - The paper contributes to the social entrepreneurship literature by providing new insights about social entrepreneurial intention. The result has important implications for theory and practice. In theory, it is the first model offering the SCCT as the background of formation for social entrepreneurial intention, with a distinct perspective of social entrepreneurship as a career. It raises a future direction for researchers to test this model. In practice, this framework provides a broad view of factors that could contribute to the success of the would-be a social entrepreneur.

  2. Comparison of Theories of Anisotropy in Transformer Oil-Based Magnetic Fluids

    Directory of Open Access Journals (Sweden)

    Jozef Kudelcik

    2013-01-01

    Full Text Available The external magnetic field in transformer oil-based magnetic fluids leads to the aggregation of magnetic nanoparticles and formation of clusters. These aggregations are the result of the interaction between the external magnetic field and the magnetic moments of the nanoparticles occurs. However, the temperature of magnetic fluids has also very important influence on the structural changes because the mechanism of thermal motion acts against the cluster creation. The acoustic spectroscopy was used to study the anisotropy of transformer oil-based magnetic fluids upon the effect of an external magnetic field and temperature. In present the anisotropy of the magnetic fluids can be described by two theories. Taketomi theory assumes the existence of spherical clusters. These clusters form long chains, aligned in a magnetic field direction. Shliomis in his theory supposed that only nanoparticles formed chains. A comparison of the experimental results with the predictions of the Taketomi theory allowed a determination of the cluster radius and the number density of the colloidal particles. The proportions of the acoustic wave energy used for excitation of the translational and rotational motion were determined.

  3. Theory based interventions for caries related sugar intake in adults: systematic review.

    Science.gov (United States)

    Al Rawahi, Said Hartih; Asimakopoulou, Koula; Newton, Jonathon Timothy

    2017-07-25

    Theories of behavior change are essential in the design of effective behaviour change strategies. No studies have assessed the effectiveness of interventions based on psychological theories to reduce sugar intake related to dental caries. The study assessed the effect of interventions based on Social Congition Models (SCMs) on sugar intake in adults, when compared with educational interventions or no intervention. A range of papers were considered: Systematic review Systematic Reviews with or without Meta Analyses; Randomised Controlled Trials; Controlled Clinical Trials and Before and after studies, of interventions based on Social Cognition Models aimed at dietary intake of sugar in adults. The Cochrane database including: Oral Health Group's Trials Register (2015), MEDLINE (from 1966 to September 2015), EMBASE (from 1980 to September 2015), PsycINFO (from 1966 to September 2015) were searched. No article met the full eligibility criteria for the current systematic review so no articles were included. There is a need for more clinical trials to assess the effectiveness of interventions based on psychological theory in reducing dietary sugar intake among adults. PROSPERO: CRD42015026357 .

  4. Crop Evaluation System Optimization: Attribute Weights Determination Based on Rough Sets Theory

    Directory of Open Access Journals (Sweden)

    Ruihong Wang

    2017-01-01

    Full Text Available The present study is mainly a continuation of our previous study, which is about a crop evaluation system development that is based on grey relational analysis. In that system, the attribute weight determination affects the evaluation result directly. Attribute weight is usually ascertained by decision-makers experience knowledge. In this paper, we utilize rough sets theory to calculate attribute significance and then combine it with weight given by decision-maker. This method is a comprehensive consideration of subjective experience knowledge and objective situation; thus it can acquire much more ideal results. Finally, based on this method, we improve the system based on ASP.NET technology.

  5. Eight myths on motivating social services workers: theory-based perspectives.

    Science.gov (United States)

    Latting, J K

    1991-01-01

    A combination of factors has made formal motivational and reward systems rare in human service organizations generally and virtually non-existent in social service agencies. The author reviews eight of these myths by reference to eight motivational theories which refute them: need theory, expectancy theory, feedback theory, equity theory, reinforcement theory, cognitive evaluation theory, goal setting theory, and social influence theory. Although most of these theories have been developed and applied in the private sector, relevant research has also been conducted in social service agencies. The author concludes with a summary of guidelines suggested by the eight theories for motivating human service workers.

  6. Analysis of Students’ Difficulties about Rotational Dynamic Topic Based on Resource Theory

    Directory of Open Access Journals (Sweden)

    I. Rahmawati

    2017-04-01

    Full Text Available Students’ difficulties commonly are analyzed based on misconception theory. This paper aimed to analyze students’ difficulties on the rotational dynamic based on resource theory. The subject of research consisted of 108 first-year undergraduate students of Physics Education, State University of Malang. Firstly, the students were asked to solve 15 multiple-choice questions and gave open explanation. We then implemened a constant comparative method to identify and categorize some resources that students employed in solving several problems that most the students failed to respond correctly. The results indicated that the students had difficulties in solving problems related to the torque and the equilibrium of rigid body. The students’ difficulties were not merely caused by the lack of correct knowledge. Instead, they have the correct knowledge or resources but they activated them on inappropriate context. The students will be successfully used the resources to solve problems if they activated them in the right context.

  7. Theory-based metrological traceability in education: A reading measurement network.

    Science.gov (United States)

    Fisher, William P; Stenner, A Jackson

    2016-10-01

    Huge resources are invested in metrology and standards in the natural sciences, engineering, and across a wide range of commercial technologies. Significant positive returns of human, social, environmental, and economic value on these investments have been sustained for decades. Proven methods for calibrating test and survey instruments in linear units are readily available, as are data- and theory-based methods for equating those instruments to a shared unit. Using these methods, metrological traceability is obtained in a variety of commercially available elementary and secondary English and Spanish language reading education programs in the U.S., Canada, Mexico, and Australia. Given established historical patterns, widespread routine reproduction of predicted text-based and instructional effects expressed in a common language and shared frame of reference may lead to significant developments in theory and practice. Opportunities for systematic implementations of teacher-driven lean thinking and continuous quality improvement methods may be of particular interest and value.

  8. A system-theory-based model for monthly river runoff forecasting: model calibration and optimization

    Directory of Open Access Journals (Sweden)

    Wu Jianhua

    2014-03-01

    Full Text Available River runoff is not only a crucial part of the global water cycle, but it is also an important source for hydropower and an essential element of water balance. This study presents a system-theory-based model for river runoff forecasting taking the Hailiutu River as a case study. The forecasting model, designed for the Hailiutu watershed, was calibrated and verified by long-term precipitation observation data and groundwater exploitation data from the study area. Additionally, frequency analysis, taken as an optimization technique, was applied to improve prediction accuracy. Following model optimization, the overall relative prediction errors are below 10%. The system-theory-based prediction model is applicable to river runoff forecasting, and following optimization by frequency analysis, the prediction error is acceptable.

  9. An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks.

    Science.gov (United States)

    Salim, Shelly; Moh, Sangman

    2016-06-30

    A cognitive radio sensor network (CRSN) is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD) scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.

  10. An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks

    Directory of Open Access Journals (Sweden)

    Shelly Salim

    2016-06-01

    Full Text Available A cognitive radio sensor network (CRSN is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.

  11. A game theory-based trust measurement model for social networks.

    Science.gov (United States)

    Wang, Yingjie; Cai, Zhipeng; Yin, Guisheng; Gao, Yang; Tong, Xiangrong; Han, Qilong

    2016-01-01

    In social networks, trust is a complex social network. Participants in online social networks want to share information and experiences with as many reliable users as possible. However, the modeling of trust is complicated and application dependent. Modeling trust needs to consider interaction history, recommendation, user behaviors and so on. Therefore, modeling trust is an important focus for online social networks. We propose a game theory-based trust measurement model for social networks. The trust degree is calculated from three aspects, service reliability, feedback effectiveness, recommendation credibility, to get more accurate result. In addition, to alleviate the free-riding problem, we propose a game theory-based punishment mechanism for specific trust and global trust, respectively. We prove that the proposed trust measurement model is effective. The free-riding problem can be resolved effectively through adding the proposed punishment mechanism.

  12. Finding theory- and evidence-based alternatives to fear appeals: Intervention Mapping

    Science.gov (United States)

    Kok, Gerjo; Bartholomew, L Kay; Parcel, Guy S; Gottlieb, Nell H; Fernández, María E

    2014-01-01

    Fear arousal—vividly showing people the negative health consequences of life-endangering behaviors—is popular as a method to raise awareness of risk behaviors and to change them into health-promoting behaviors. However, most data suggest that, under conditions of low efficacy, the resulting reaction will be defensive. Instead of applying fear appeals, health promoters should identify effective alternatives to fear arousal by carefully developing theory- and evidence-based programs. The Intervention Mapping (IM) protocol helps program planners to optimize chances for effectiveness. IM describes the intervention development process in six steps: (1) assessing the problem and community capacities, (2) specifying program objectives, (3) selecting theory-based intervention methods and practical applications, (4) designing and organizing the program, (5) planning, adoption, and implementation, and (6) developing an evaluation plan. Authors who used IM indicated that it helped in bringing the development of interventions to a higher level. PMID:24811880

  13. Reducing skin cancer risk: an intervention based on protection motivation theory.

    Science.gov (United States)

    McClendon, B T; Prentice-Dunn, S

    2001-05-01

    Caucasian college students who intentionally tanned participated in a brief skin cancer intervention based on protection motivation theory (PMT). This intervention targeted skin appearance and consisted of brief lectures, a comprehensive essay, video clips about a young man who died of melanoma, and short discussions. Compared to a waitlist control group, the intervention group showed increases on PMT variables and intentions at post-test. The waitlist group later received the intervention and showed similar increases. Additionally, all but one PMT variable maintained post-test levels at a one-month follow-up. Photographs taken at post-test and at the one-month follow-up were judged by raters blind to the hypothesis. Seventy-two percent of participants were judged to have lighter skin whereas only 16 percent had darker skin. These results provide additional support for theory-based methods for changing maladaptive attitudes and behaviors associated with skin cancer risk.

  14. Agent-based modeling: a new approach for theory building in social psychology.

    Science.gov (United States)

    Smith, Eliot R; Conrey, Frederica R

    2007-02-01

    Most social and psychological phenomena occur not as the result of isolated decisions by individuals but rather as the result of repeated interactions between multiple individuals over time. Yet the theory-building and modeling techniques most commonly used in social psychology are less than ideal for understanding such dynamic and interactive processes. This article describes an alternative approach to theory building, agent-based modeling (ABM), which involves simulation of large numbers of autonomous agents that interact with each other and with a simulated environment and the observation of emergent patterns from their interactions. The authors believe that the ABM approach is better able than prevailing approaches in the field, variable-based modeling (VBM) techniques such as causal modeling, to capture types of complex, dynamic, interactive processes so important in the social world. The article elaborates several important contrasts between ABM and VBM and offers specific recommendations for learning more and applying the ABM approach.

  15. Modal Analysis of In-Wheel Motor-Driven Electric Vehicle Based on Bond Graph Theory

    Directory of Open Access Journals (Sweden)

    Di Tan

    2017-01-01

    Full Text Available A half-car vibration model of an electric vehicle driven by rear in-wheel motors was developed using bond graph theory and the modular modeling method. Based on the bond graph model, modal analysis was carried out to study the vibration characteristics of the electric vehicle. To verify the effectiveness of the established model, the results were compared to ones computed on the ground of modal analysis and Newton equations. The comparison shows that the vibration model of the electric vehicle based on bond graph theory not only is able to better compute the natural frequency but also can easily determine the deformation mode, momentum mode, and other isomorphism modes and describe the dynamic characteristics of an electric vehicle driven by in-wheel motors more comprehensively than other modal analysis methods.

  16. Optimal cross-sectional sampling for river modelling with bridges: An information theory-based method

    Energy Technology Data Exchange (ETDEWEB)

    Ridolfi, E.; Napolitano, F., E-mail: francesco.napolitano@uniroma1.it [Sapienza Università di Roma, Dipartimento di Ingegneria Civile, Edile e Ambientale (Italy); Alfonso, L. [Hydroinformatics Chair Group, UNESCO-IHE, Delft (Netherlands); Di Baldassarre, G. [Department of Earth Sciences, Program for Air, Water and Landscape Sciences, Uppsala University (Sweden)

    2016-06-08

    The description of river topography has a crucial role in accurate one-dimensional (1D) hydraulic modelling. Specifically, cross-sectional data define the riverbed elevation, the flood-prone area, and thus, the hydraulic behavior of the river. Here, the problem of the optimal cross-sectional spacing is solved through an information theory-based concept. The optimal subset of locations is the one with the maximum information content and the minimum amount of redundancy. The original contribution is the introduction of a methodology to sample river cross sections in the presence of bridges. The approach is tested on the Grosseto River (IT) and is compared to existing guidelines. The results show that the information theory-based approach can support traditional methods to estimate rivers’ cross-sectional spacing.

  17. Attachment-based family therapy for depressed and suicidal adolescents: theory, clinical model and empirical support.

    Science.gov (United States)

    Ewing, E Stephanie Krauthamer; Diamond, Guy; Levy, Suzanne

    2015-01-01

    Attachment-Based Family Therapy (ABFT) is a manualized family-based intervention designed for working with depressed adolescents, including those at risk for suicide, and their families. It is an empirically informed and supported treatment. ABFT has its theoretical underpinnings in attachment theory and clinical roots in structural family therapy and emotion focused therapies. ABFT relies on a transactional model that aims to transform the quality of adolescent-parent attachment, as a means of providing the adolescent with a more secure relationship that can support them during challenging times generally, and the crises related to suicidal thinking and behavior, specifically. This article reviews: (1) the theoretical foundations of ABFT (attachment theory, models of emotional development); (2) the ABFT clinical model, including training and supervision factors; and (3) empirical support.

  18. Optimal cross-sectional sampling for river modelling with bridges: An information theory-based method

    International Nuclear Information System (INIS)

    Ridolfi, E.; Napolitano, F.; Alfonso, L.; Di Baldassarre, G.

    2016-01-01

    The description of river topography has a crucial role in accurate one-dimensional (1D) hydraulic modelling. Specifically, cross-sectional data define the riverbed elevation, the flood-prone area, and thus, the hydraulic behavior of the river. Here, the problem of the optimal cross-sectional spacing is solved through an information theory-based concept. The optimal subset of locations is the one with the maximum information content and the minimum amount of redundancy. The original contribution is the introduction of a methodology to sample river cross sections in the presence of bridges. The approach is tested on the Grosseto River (IT) and is compared to existing guidelines. The results show that the information theory-based approach can support traditional methods to estimate rivers’ cross-sectional spacing.

  19. A Bayes Theory-Based Modeling Algorithm to End-to-end Network Traffic

    Directory of Open Access Journals (Sweden)

    Zhao Hong-hao

    2016-01-01

    Full Text Available Recently, network traffic has exponentially increasing due to all kind of applications, such as mobile Internet, smart cities, smart transportations, Internet of things, and so on. the end-to-end network traffic becomes more important for traffic engineering. Usually end-to-end traffic estimation is highly difficult. This paper proposes a Bayes theory-based method to model the end-to-end network traffic. Firstly, the end-to-end network traffic is described as a independent identically distributed normal process. Then the Bases theory is used to characterize the end-to-end network traffic. By calculating the parameters, the model is determined correctly. Simulation results show that our approach is feasible and effective.

  20. An analysis of current drive by travelling wave based on theory of intrinsic stochasticity

    International Nuclear Information System (INIS)

    Murakami, Akihiko; Midzuno, Yukio.

    1982-04-01

    The mechanism of the current generation in a collisionless plasma by a train of travelling mirrors with modulated phase velocity is studied based on the theory of intrinsic stochasticity. It is shown that, if the phase modulation is small, the main contribution to the current generation comes from the phase mixing of the trajectories of trapped electrons in each Fourier component of a driving wave. For the case of a moderate phase modulation, however, formation of a large stochastic region due to the overlapping of primary resonances is very effective for increasing the generated current. Large phase modulation has little advantage in the current generation because the stochastic regions are formed, so to speak, at random in the phase plane. The results of analytical evaluation based on the above theory agree quite well with results of numerical experiments. (author)

  1. Modified polarized geometrical attenuation model for bidirectional reflection distribution function based on random surface microfacet theory.

    Science.gov (United States)

    Liu, Hong; Zhu, Jingping; Wang, Kai

    2015-08-24

    The geometrical attenuation model given by Blinn was widely used in the geometrical optics bidirectional reflectance distribution function (BRDF) models. Blinn's geometrical attenuation model based on symmetrical V-groove assumption and ray scalar theory causes obvious inaccuracies in BRDF curves and negatives the effects of polarization. Aiming at these questions, a modified polarized geometrical attenuation model based on random surface microfacet theory is presented by combining of masking and shadowing effects and polarized effect. The p-polarized, s-polarized and unpolarized geometrical attenuation functions are given in their separate expressions and are validated with experimental data of two samples. It shows that the modified polarized geometrical attenuation function reaches better physical rationality, improves the precision of BRDF model, and widens the applications for different polarization.

  2. A Bayes Theory-Based Modeling Algorithm to End-to-end Network Traffic

    OpenAIRE

    Zhao Hong-hao; Meng Fan-bo; Zhao Si-wen; Zhao Si-hang; Lu Yi

    2016-01-01

    Recently, network traffic has exponentially increasing due to all kind of applications, such as mobile Internet, smart cities, smart transportations, Internet of things, and so on. the end-to-end network traffic becomes more important for traffic engineering. Usually end-to-end traffic estimation is highly difficult. This paper proposes a Bayes theory-based method to model the end-to-end network traffic. Firstly, the end-to-end network traffic is described as a independent identically distrib...

  3. Systematic Development and Validation of a Theory-Based Questionnaire to Assess Toddler Feeding12

    OpenAIRE

    Hurley, Kristen M.; Pepper, M. Reese; Candelaria, Margo; Wang, Yan; Caulfield, Laura E.; Latta, Laura; Hager, Erin R.; Black, Maureen M.

    2013-01-01

    This paper describes the development and validation of a 27-item caregiver-reported questionnaire on toddler feeding. The development of the Toddler Feeding Behavior Questionnaire was based on a theory of interactive feeding that incorporates caregivers’ responses to concerns about their children’s dietary intake, appetite, size, and behaviors rather than relying exclusively on caregiver actions. Content validity included review by an expert panel (n = 7) and testing in a pilot sample (n = 10...

  4. Research on Corporate Social Responsibility of Supply Chain System Based on the Self-organization Theory

    OpenAIRE

    Baoying Wang

    2013-01-01

    In this study, the characteristics of supply chain system are analyzed based on the Self-organization theory from the angle of view of supply chain system. The mathematical models when the system fulfilling social responsibility including self-organization evolution model and self-organization function model are developed to discuss the formation and function of self-organization in supply chain system and coordination. Some basic conditions and tactics about self-organization establishment a...

  5. Effect of Couple Therapy Based on the Choice Theory on Social Commitment of Couples

    Directory of Open Access Journals (Sweden)

    Hossein Abbasi

    2017-09-01

    Full Text Available Background and Objective: Commitment to spouse, marriage, and family is one of the most important factors ensuring the continuity of marriage and strength of family bonds that has attracted considerable attention in the contemporary family and marriage studies. In this study, we sought to determine the effect of couple therapy based on the choice theory on the social commitment of couples. Materials and Methods: This was a quasi-experimental study with pretest-posttest design and a control group that was performed among volunteer couples visiting Isfahan Counseling and Psychology Centers in Isfahan, Iran, during 2015. The subjects consisted of 32 incompatible couples who were selected through convenience sampling and were randomly assigned into experimental (16 couples and control (16 couples groups. Then, the experimental group received nine sessions of group couple therapy during three months on family life skills based on choice theory. It is worth mentioning that the dependent variable was the social commitment of couples evaluated by the dimensions of commitment inventory of Adams and Jones (1997. The collected data were analyzed by multivariate analysis of covariance in SPSS, version 20. Results: At the post-test stage, couple therapy based on choice theory significantly enhanced social commitment in the experimental group compared to the control group (P<0.001. Conclusion: According to the findings of this study, couple therapy based on the choice theory is an effective strategy in promoting commitment and loyalty to spouse, marriage, and family and can decrease and prevent family-related problems and threats such as divorce and marital infidelity.

  6. Contextualization and standardization of the supportive leadership behavior questionnaire based on socio- cognitive theory in Iran

    OpenAIRE

    Shirazi, Mandana; Emami, Amir Hosein; Mirmoosavi, ,Seyed Jamal; Alavinia, Seyed Mohammad; Zamanian, Hadi; Fathollahbeigi, Faezeh; Masiello, Italo

    2014-01-01

    Background: Effective leadership is of prime importance in any organization and it goes through changes based on accepted health promotion and behavior change theory. Although there are many leadership styles, transformational leadership, which emphasizes supportive leadership behaviors, seems to be an appropriate style in many settings particularly in the health care and educational sectors which are pressured by high turnover and safety demands. Iran has been moving rapidly forward and its ...

  7. Core design and operation optimization methods based on time-dependent perturbation theory

    International Nuclear Information System (INIS)

    Greenspan, E.

    1983-08-01

    A general approach for the optimization of nuclear reactor core design and operation is outlined; it is based on two cornerstones: a newly developed time-dependent (or burnup-dependent) perturbation theory for nonlinear problems and a succesive iteration technique. The resulting approach is capable of handling realistic reactor models using computational methods of any degree of sophistication desired, while accounting for all the constraints imposed. Three general optimization strategies, different in the way for handling the constraints, are formulated. (author)

  8. Research on electric and thermal characteristics of plasma torch based on similarity theory

    International Nuclear Information System (INIS)

    Cheng Changming; Tang Deli; Lan Wei

    2007-01-01

    Configuration and working principle of a DC non-transferred plasma torch have been introduced. Based on similarity theory, connections between the electric-thermal characteristics and operational parameter such as flowing gas rate and arc power have been investigated. Calculation and experiment are compared. The results indicate that the calculation results are in agreement with experimental ones. The formulas can be used for plasma torch improvement and optimization. (authors)

  9. The contribution of process tracing to theory-based evaluations of complex aid instruments

    DEFF Research Database (Denmark)

    Beach, Derek; Schmitt, Johannes

    2015-01-01

    studies in demanding settings. For the specific task of evaluating the governance effectiveness of budget support interventions, we developed a more fine-grained causal mechanism for a subset of the comprehensive program theory of budget support. Moreover, based on the informal use of Bayesian logic, we...... remedy some of the problems at hand in much case-study research and increase the inferential leverage in complex within-case evaluation studies....

  10. Finding theory- and evidence-based alternatives to fear appeals: Intervention Mapping

    OpenAIRE

    Kok, Gerjo; Bartholomew, L Kay; Parcel, Guy S; Gottlieb, Nell H; Fernández, María E

    2013-01-01

    Fear arousal—vividly showing people the negative health consequences of life-endangering behaviors—is popular as a method to raise awareness of risk behaviors and to change them into health-promoting behaviors. However, most data suggest that, under conditions of low efficacy, the resulting reaction will be defensive. Instead of applying fear appeals, health promoters should identify effective alternatives to fear arousal by carefully developing theory- and evidence-based programs. The Interv...

  11. Research on Remote Sensing Image Template Processing Based on Global Subdivision Theory

    OpenAIRE

    Xiong Delan; Du Genyuan

    2013-01-01

    Aiming at the questions of vast data, complex operation, and time consuming processing for remote sensing image, subdivision template was proposed based on global subdivision theory, which can set up high level of abstraction and generalization for remote sensing image. The paper emphatically discussed the model and structure of subdivision template, and put forward some new ideas for remote sensing image template processing, key technology and quickly applied demonstration. The research has ...

  12. Ethnic Differences And Motivation Based On Maslow’s Theory At a MedicaL University

    OpenAIRE

    Jagmohni Kaur Sidhu

    2007-01-01

    Introduction: Motivation in Malaysia is to a largeextent influenced by the value system amongst allMalaysians. Being able to motivate employees is one ofthe important keys to the success of the organization.In this paper, an attempt was made to look into theneeds of employees in organizations and in particular,the needs based on Maslow’s theory on motivation. Subjects and Methods: Employees which consisted ofboth academic and administrative employees of theInternational Medical University (...

  13. What is justice in education? Sketch of answer based on theories of justice and economics.

    OpenAIRE

    D. Waltenberg , Fábio

    2004-01-01

    D. Waltenberg, F. (2004). What is justice in education? Sketch of answer based on theories of justice and economics. Les Cahiers de Recherche du Girsef, 32.; What is justice in education? How can we evaluate whether given distributions of educational inputs or educational outcomes are just or not? How should a society distribute its educational resources? How can we evaluate the level of (un)fairness of a schooling system? In this paper, we try to provide a basic framework for thinking about ...

  14. Evidence-Based Theory of Market Manipulation And Application: The Malaysian Case

    OpenAIRE

    Heong, Yin Yun

    2010-01-01

    According to Part IX Division 1 in Securities Industry Act 1983 of Malaysia Law, stock market manipulation is defined as unlawful action taken either direct or indirectly by any person, to affect the price of securities of the corporation on a stock market in Malaysia for the purpose which may include the purpose of inducing other persons. Extending the framework of Allen and Gale (1992), the Author presents a theory based on the empirical evidence from prosecuted stock market manipulation ca...

  15. Nursing care in patients with cardiovascular risk based on the theory of Nola J. Pender

    OpenAIRE

    Cadena Estrada, Julio César; Instituto Nacional de Cardiología Ignacio Chávez; González Ortega, Yariela; Universidad de Panamá

    2017-01-01

    Introduction: chronic degenerative diseases such as coronary heart disease are caused by various risk factors, habits and styles of unhealthy life, so that prevention and health promotion based on theories or models of nursing, play an essential role in solving public health problems. Objective: To develop a proposal for implementation of nursing care to patients with cardiovascular risk supported by the Health Promotion Model (HPM) of Nola J Pender. Proposal: The care of people is proposed b...

  16. Causes of infantile-juvenile obesity: reflexions based on the theory of Hannah Arendt

    OpenAIRE

    Mariz, Larissa Soares; Enders, Bertha Cruz; Santos, Viviane Euzébia Pereira; Tourinho, Francis Solange Vieira; Vieira, Caroline Evelin Nascimento Kluczynik

    2015-01-01

    The objective of this study was to reflect on the causes of obesity beyond physical, genetic and biological factors. It is based on the understanding of the human condition and its associated economic and social relationships, derived from Hannah Arendt's Theory of The Human Condition and relevant literature. The satiety-need cycle and the technological advances of modern society cause consumerism, a sedentary lifestyle that affects children´s health and nutritional education, and an increase...

  17. The Theory of Value-Based Payment Incentives and Their Application to Health Care.

    Science.gov (United States)

    Conrad, Douglas A

    2015-12-01

    To present the implications of agency theory in microeconomics, augmented by behavioral economics, for different methods of value-based payment in health care; and to derive a set of future research questions and policy recommendations based on that conceptual analysis. Original literature of agency theory, and secondarily behavioral economics, combined with applied research and empirical evidence on the application of those principles to value-based payment. Conceptual analysis and targeted review of theoretical research and empirical literature relevant to value-based payment in health care. Agency theory and secondarily behavioral economics have powerful implications for design of value-based payment in health care. To achieve improved value-better patient experience, clinical quality, health outcomes, and lower costs of care-high-powered incentives should directly target improved care processes, enhanced patient experience, and create achievable benchmarks for improved outcomes. Differing forms of value-based payment (e.g., shared savings and risk, reference pricing, capitation, and bundled payment), coupled with adjunct incentives for quality and efficiency, can be tailored to different market conditions and organizational settings. Payment contracts that are "incentive compatible"-which directly encourage better care and reduced cost, mitigate gaming, and selectively induce clinically efficient providers to participate-will focus differentially on evidence-based care processes, will right-size and structure incentives to avoid crowd-out of providers' intrinsic motivation, and will align patient incentives with value. Future research should address the details of putting these and related principles into practice; further, by deploying these insights in payment design, policy makers will improve health care value for patients and purchasers. © Health Research and Educational Trust.

  18. Person-based differences in pay reactions: A compensation-activation theory and integrative conceptual review.

    Science.gov (United States)

    Fulmer, Ingrid Smithey; Shaw, Jason D

    2018-06-07

    Compensation research has focused traditionally on how pay design characteristics (e.g., pay level, individual or group incentives) relate to average employee outcomes and, in toto, on how these outcomes affect organizational performance. Recently, scholars have begun to pay more attention to how individuals vary in the strength of their reactions to pay. Empirical research in several disciplines examines how the interplay of pay systems and person-based characteristics (psychological individual differences, demographics, and relative performance or position in a group) relate to important work-related outcomes. We develop a compensation-activation theory that frames compensation design characteristics as workplace "situations" providing cues that activate individuals' corresponding fundamental social motives made salient due to chronic or transient person-based characteristics. Where activation occurs, stronger-than-average responses to the compensation "situation" are expected. Using the theory as a lens, we synthesize and reinterpret existing research on person-based reactions to pay characteristics, including sorting, incentive/motivational effects, and effects on collective pay system reactions and unit/organizational outcomes. We conclude with a research agenda aimed at refining compensation-activation theory and advancing the study of compensation as it affects individual and organizational outcomes. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

  19. A theory-based approach to understanding suicide risk in shelter-seeking women.

    Science.gov (United States)

    Wolford-Clevenger, Caitlin; Smith, Phillip N

    2015-04-01

    Women seeking shelter from intimate partner violence are at an increased risk for suicide ideation and attempts compared to women in the general population. Control-based violence, which is common among shelter-seeking women, may play a pivotal role in the development of suicide ideation and attempts. Current risk assessment and management practices for shelter-seeking women are limited by the lack of an empirically grounded understanding of increased risk in this population. We argue that in order to more effectively promote risk assessment and management, an empirically supported theory that is sensitive to the experiences of shelter-seeking women is needed. Such a theory-driven approach has the benefits of identifying and prioritizing targetable areas for intervention. Here, we review the evidence for the link between coercive control and suicide ideation and attempts from the perspective of Baumeister's escape theory of suicide. This theory has the potential to explain the role of coercive control in the development of suicide ideation and eventual attempts in shelter-seeking women. Implications for suicide risk assessment and prevention in domestic violence shelters are discussed. © The Author(s) 2014.

  20. A Practice-Based Theory of Healing Through Therapeutic Touch: Advancing Holistic Nursing Practice.

    Science.gov (United States)

    Hanley, Mary Anne; Coppa, Denise; Shields, Deborah

    2017-08-01

    For nearly 50 years, Therapeutic Touch (TT) has contributed to advancing holistic nursing practice and has been recognized as a uniquely human approach to healing. This narrative explores the development of a practice-based theory of healing through TT, which occurred between 2010 and 2016. Through the in-depth self-inquiry of participatory reflective dialogue in concert with constant narrative analysis, TT practitioners revealed the meaning of healing within the context of their TT practice. As the community of TT experts participated in an iterative process of small group and community dialogues with analysis and synthesis of emerging themes, the assumptions and concepts central to a theory of healing emerged, were clarified and verified. Exemplars of practice illustrate the concepts. A model of the theory of healing illuminates the movement and relationship among concepts and evolved over time. Feedback from nursing and inter-professional practitioners indicate that the theory of healing, while situated within the context of TT, may be useful in advancing holistic nursing practice, informing healing and caring approaches, stimulating research and education, and contributing to future transformations in health care.

  1. A theory-based curriculum design for remediation of residents' communication skills.

    Science.gov (United States)

    Leung, Fok-Han; Martin, Dawn; Batty, Helen

    2009-12-01

    Residents requiring remediation are often deficient in communication skills, namely clinical interviewing skills. Residents have to digest large amounts of knowledge, and then apply it in a clinical interview. The patient-centered approach, as demonstrated in the Calgary-Cambridge model and Martin's Map, can be difficult to teach. Before implementing a remediation curriculum, the theoretical educational underpinnings must be sound; curriculum evaluation is often expensive. Before establishing metrics for curriculum evaluation, a starting point is to perform a mental experiment to test theoretical adherence. This article describes an experiential remedial curriculum for communication skills. Educational theories of Kolb, Knowles, Bandura, and Bloom are used to design the curriculum into theory-based design components. Kolb's experiential cycle models the natural sequence of experiencing, teaching, and learning interviewing skills. A curriculum structured around this cycle has multiple intercalations with the above educational theories. The design is strengthened by appropriately timed use of education strategies such as learning contracts, taped interviews, simulations, structured reflection, and teacher role modeling. Importantly, it also models the form of the clinical interview format desired. Through understanding and application of contemporary educational theories, a program to remediate interviewing skills can increase its potential for success.

  2. On the Generalization of the Timoshenko Beam Model Based on the Micropolar Linear Theory: Static Case

    Directory of Open Access Journals (Sweden)

    Andrea Nobili

    2015-01-01

    Full Text Available Three generalizations of the Timoshenko beam model according to the linear theory of micropolar elasticity or its special cases, that is, the couple stress theory or the modified couple stress theory, recently developed in the literature, are investigated and compared. The analysis is carried out in a variational setting, making use of Hamilton’s principle. It is shown that both the Timoshenko and the (possibly modified couple stress models are based on a microstructural kinematics which is governed by kinosthenic (ignorable terms in the Lagrangian. Despite their difference, all models bring in a beam-plane theory only one microstructural material parameter. Besides, the micropolar model formally reduces to the couple stress model upon introducing the proper constraint on the microstructure kinematics, although the material parameter is generally different. Line loading on the microstructure results in a nonconservative force potential. Finally, the Hamiltonian form of the micropolar beam model is derived and the canonical equations are presented along with their general solution. The latter exhibits a general oscillatory pattern for the microstructure rotation and stress, whose behavior matches the numerical findings.

  3. A Method for Co-Designing Theory-Based Behaviour Change Systems for Health Promotion.

    Science.gov (United States)

    Janols, Rebecka; Lindgren, Helena

    2017-01-01

    A methodology was defined and developed for designing theory-based behaviour change systems for health promotion that can be tailored to the individual. Theories from two research fields were combined with a participatory action research methodology. Two case studies applying the methodology were conducted. During and between group sessions the participants created material and designs following the behaviour change strategy themes, which were discussed, analysed and transformed into a design of a behaviour change system. Theories in behavioural change and persuasive technology guided the data collection, data analyses, and the design of a behaviour change system. The methodology has strong emphasis on the target group's participation in the design process. The different aspects brought forward related to behaviour change strategies defined in literature on persuasive technology, and the dynamics of these are associated to needs and motivation defined in literature on behaviour change. It was concluded that the methodology aids the integration of theories into a participatory action research design process, and aids the analyses and motivations of design choices.

  4. Semantic Mining based on graph theory and ontologies. Case Study: Cell Signaling Pathways

    Directory of Open Access Journals (Sweden)

    Carlos R. Rangel

    2016-08-01

    Full Text Available In this paper we use concepts from graph theory and cellular biology represented as ontologies, to carry out semantic mining tasks on signaling pathway networks. Specifically, the paper describes the semantic enrichment of signaling pathway networks. A cell signaling network describes the basic cellular activities and their interactions. The main contribution of this paper is in the signaling pathway research area, it proposes a new technique to analyze and understand how changes in these networks may affect the transmission and flow of information, which produce diseases such as cancer and diabetes. Our approach is based on three concepts from graph theory (modularity, clustering and centrality frequently used on social networks analysis. Our approach consists into two phases: the first uses the graph theory concepts to determine the cellular groups in the network, which we will call them communities; the second uses ontologies for the semantic enrichment of the cellular communities. The measures used from the graph theory allow us to determine the set of cells that are close (for example, in a disease, and the main cells in each community. We analyze our approach in two cases: TGF-ß and the Alzheimer Disease.

  5. Uncertainty Analysis of Few Group Cross Sections Based on Generalized Perturbation Theory

    International Nuclear Information System (INIS)

    Han, Tae Young; Lee, Hyun Chul; Noh, Jae Man

    2014-01-01

    In this paper, the methodology of the sensitivity and uncertainty analysis code based on GPT was described and the preliminary verification calculations on the PMR200 pin cell problem were carried out. As a result, they are in a good agreement when compared with the results by TSUNAMI. From this study, it is expected that MUSAD code based on GPT can produce the uncertainty of the homogenized few group microscopic cross sections for a core simulator. For sensitivity and uncertainty analyses for general core responses, a two-step method is available and it utilizes the generalized perturbation theory (GPT) for homogenized few group cross sections in the first step and stochastic sampling method for general core responses in the second step. The uncertainty analysis procedure based on GPT in the first step needs the generalized adjoint solution from a cell or lattice code. For this, the generalized adjoint solver has been integrated into DeCART in our previous work. In this paper, MUSAD (Modues of Uncertainty and Sensitivity Analysis for DeCART) code based on the classical perturbation theory was expanded to the function of the sensitivity and uncertainty analysis for few group cross sections based on GPT. First, the uncertainty analysis method based on GPT was described and, in the next section, the preliminary results of the verification calculation on a VHTR pin cell problem were compared with the results by TSUNAMI of SCALE 6.1

  6. Concept-Based Learning in Clinical Experiences: Bringing Theory to Clinical Education for Deep Learning.

    Science.gov (United States)

    Nielsen, Ann

    2016-07-01

    Concept-based learning is used increasingly in nursing education to support the organization, transfer, and retention of knowledge. Concept-based learning activities (CBLAs) have been used in clinical education to explore key aspects of the patient situation and principles of nursing care, without responsibility for total patient care. The nature of best practices in teaching and the resultant learning are not well understood. The purpose of this multiple-case study research was to explore and describe concept-based learning in the context of clinical education in inpatient settings. Four clinical groups (each a case) were observed while they used CBLAs in the clinical setting. Major findings include that concept-based learning fosters deep learning, connection of theory with practice, and clinical judgment. Strategies used to support learning, major teaching-learning foci, and preconditions for concept-based teaching and learning will be described. Concept-based learning is promising to support integration of theory with practice and clinical judgment through application experiences with patients. [J Nurs Educ. 2016;55(7):365-371.]. Copyright 2016, SLACK Incorporated.

  7. Optimal control theory for quantum-classical systems: Ehrenfest molecular dynamics based on time-dependent density-functional theory

    International Nuclear Information System (INIS)

    Castro, A; Gross, E K U

    2014-01-01

    We derive the fundamental equations of an optimal control theory for systems containing both quantum electrons and classical ions. The system is modeled with Ehrenfest dynamics, a non-adiabatic variant of molecular dynamics. The general formulation, that needs the fully correlated many-electron wavefunction, can be simplified by making use of time-dependent density-functional theory. In this case, the optimal control equations require some modifications that we will provide. The abstract general formulation is complemented with the simple example of the H 2 + molecule in the presence of a laser field. (paper)

  8. A Theory-Based Exercise App to Enhance Exercise Adherence: A Pilot Study.

    Science.gov (United States)

    Voth, Elizabeth C; Oelke, Nelly D; Jung, Mary E

    2016-06-15

    Use of mobile health (mHealth) technology is on an exponential rise. mHealth apps have the capability to reach a large number of individuals, but until now have lacked the integration of evidence-based theoretical constructs to increase exercise behavior in users. The purpose of this study was to assess the effectiveness of a theory-based, self-monitoring app on exercise and self-monitoring behavior over 8 weeks. A total of 56 adults (mean age 40 years, SD 13) were randomly assigned to either receive the mHealth app (experimental; n=28) or not to receive the app (control; n=28). All participants engaged in an exercise goal-setting session at baseline. Experimental condition participants received weekly short message service (SMS) text messages grounded in social cognitive theory and were encouraged to self-monitor exercise bouts on the app on a daily basis. Exercise behavior, frequency of self-monitoring exercise behavior, self-efficacy to self-monitor, and self-management of exercise behavior were collected at baseline and at postintervention. Engagement in exercise bouts was greater in the experimental condition (mean 7.24, SD 3.40) as compared to the control condition (mean 4.74, SD 3.70, P=.03, d=0.70) at week 8 postintervention. Frequency of self-monitoring increased significantly over the 8-week investigation between the experimental and control conditions (Pcomparison to those in the control condition (mean 1.95, SD 2.58, Psocial cognitive theory into an mHealth exercise self-monitoring app provides support for future research to feasibly integrate theoretical constructs into existing exercise apps. In addition, findings provide preliminary support for theory-based apps to increase self-monitoring and exercise behavior in comparison to a control, no-app condition.

  9. Analytic models of spectral responses of fiber-grating-based interferometers on FMC theory.

    Science.gov (United States)

    Zeng, Xiangkai; Wei, Lai; Pan, Yingjun; Liu, Shengping; Shi, Xiaohui

    2012-02-13

    In this paper the analytic models (AMs) of the spectral responses of fiber-grating-based interferometers are derived from the Fourier mode coupling (FMC) theory proposed recently. The interferometers include Fabry-Perot cavity, Mach-Zehnder and Michelson interferometers, which are constructed by uniform fiber Bragg gratings and long-period fiber gratings, and also by Gaussian-apodized ones. The calculated spectra based on the analytic models are achieved, and compared with the measured cases and those on the transfer matrix (TM) method. The calculations and comparisons have confirmed that the AM-based spectrum is in excellent agreement with the TM-based one and the measured case, of which the efficiency is improved up to ~2990 times that of the TM method for non-uniform-grating-based in-fiber interferometers.

  10. An analytical method for calculating stresses and strains of ATF cladding based on thick walled theory

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Dong Hyun; Kim, Hak Sung [Hanyang University, Seoul (Korea, Republic of); Kim, Hyo Chan; Yang, Yong Sik; In, Wang kee [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    In this paper, an analytical method based on thick walled theory has been studied to calculate stress and strain of ATF cladding. In order to prescribe boundary conditions of the analytical method, two algorithms were employed which are called subroutine 'Cladf' and 'Couple' of FRACAS, respectively. To evaluate the developed method, equivalent model using finite element method was established and stress components of the method were compared with those of equivalent FE model. One of promising ATF concepts is the coated cladding, which take advantages such as high melting point, a high neutron economy, and low tritium permeation rate. To evaluate the mechanical behavior and performance of the coated cladding, we need to develop the specified model to simulate the ATF behaviors in the reactor. In particular, the model for simulation of stress and strain for the coated cladding should be developed because the previous model, which is 'FRACAS', is for one body model. The FRACAS module employs the analytical method based on thin walled theory. According to thin-walled theory, radial stress is defined as zero but this assumption is not suitable for ATF cladding because value of the radial stress is not negligible in the case of ATF cladding. Recently, a structural model for multi-layered ceramic cylinders based on thick-walled theory was developed. Also, FE-based numerical simulation such as BISON has been developed to evaluate fuel performance. An analytical method that calculates stress components of ATF cladding was developed in this study. Thick-walled theory was used to derive equations for calculating stress and strain. To solve for these equations, boundary and loading conditions were obtained by subroutine 'Cladf' and 'Couple' and applied to the analytical method. To evaluate the developed method, equivalent FE model was established and its results were compared to those of analytical model. Based on the

  11. Designing “Theory of Machines and Mechanisms” course on Project Based Learning approach

    DEFF Research Database (Denmark)

    Shinde, Vikas

    2013-01-01

    by the industry and the learning outcomes specified by the National Board of Accreditation (NBA), India; this course is restructured on Project Based Learning approach. A mini project is designed to suit course objectives. An objective of this paper is to discuss the rationale of this course design......Theory of Machines and Mechanisms course is one of the essential courses of Mechanical Engineering undergraduate curriculum practiced at Indian Institute. Previously, this course was taught by traditional instruction based pedagogy. In order to achieve profession specific skills demanded...... and the process followed to design a project which meets diverse objectives....

  12. Atomic force microscopy-based repeated machining theory for nanochannels on silicon oxide surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Z.Q., E-mail: wangzhiqian@sia.cn [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Graduate University of the Chinese Academy of Sciences, Beijing 100049 (China); Jiao, N.D. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China); Tung, S. [Department of Mechanical Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Dong, Z.L. [State Key Laboratory of Robotics, Shenyang Institute of Automation, CAS, Shenyang 110016 (China)

    2011-02-01

    The atomic force microscopy (AFM)-based repeated nanomachining of nanochannels on silicon oxide surfaces is investigated both theoretically and experimentally. The relationships of the initial nanochannel depth vs. final nanochannel depth at a normal force are systematically studied. Using the derived theory and simulation results, the final nanochannel depth can be predicted easily. Meanwhile, if a nanochannel with an expected depth needs to be machined, a right normal force can be selected simply and easily in order to decrease the wear of the AFM tip. The theoretical analysis and simulation results can be effectively used for AFM-based fabrication of nanochannels.

  13. Developing Theory to Guide Building Practitioners' Capacity to Implement Evidence-Based Interventions.

    Science.gov (United States)

    Leeman, Jennifer; Calancie, Larissa; Kegler, Michelle C; Escoffery, Cam T; Herrmann, Alison K; Thatcher, Esther; Hartman, Marieke A; Fernandez, Maria E

    2017-02-01

    Public health and other community-based practitioners have access to a growing number of evidence-based interventions (EBIs), and yet EBIs continue to be underused. One reason for this underuse is that practitioners often lack the capacity (knowledge, skills, and motivation) to select, adapt, and implement EBIs. Training, technical assistance, and other capacity-building strategies can be effective at increasing EBI adoption and implementation. However, little is known about how to design capacity-building strategies or tailor them to differences in capacity required across varying EBIs and practice contexts. To address this need, we conducted a scoping study of frameworks and theories detailing variations in EBIs or practice contexts and how to tailor capacity-building to address those variations. Using an iterative process, we consolidated constructs and propositions across 24 frameworks and developed a beginning theory to describe salient variations in EBIs (complexity and uncertainty) and practice contexts (decision-making structure, general capacity to innovate, resource and values fit with EBI, and unity vs. polarization of stakeholder support). The theory also includes propositions for tailoring capacity-building strategies to address salient variations. To have wide-reaching and lasting impact, the dissemination of EBIs needs to be coupled with strategies that build practitioners' capacity to adopt and implement a variety of EBIs across diverse practice contexts.

  14. Modeling of a piezoelectric/piezomagnetic nano energy harvester based on two dimensional theory

    Science.gov (United States)

    Yan, Zhi

    2018-01-01

    This work presents a two dimensional theory for a piezoelectric/piezomagnetic bilayer nanoplate in coupled extensional and flexural vibrations with both flexoelectric and surface effects. The magneto-electro-elastic (MEE) coupling equations are derived from three-dimensional equations and Kirchhoff plate theory. Based on the developed theory, a piezoelectric/piezomagnetic nano energy harvester is proposed, which can generate electricity under time-harmonic applied magnetic field. The approximate solutions for the mechanical responses and voltage of the energy harvester are obtained using the weighted residual method. Results show that the properties of the proposed energy harvester are size-dependent due to the flexoelectric and surface effects, and such effects are more pronounced when the bilayer thickness is reduced to dozens of nanometers. It is also found that the magnetoelectric coupling coefficient and power density of the energy harvester are sensitive to the load resistance, the thickness fraction of the piezoelectric or the piezomagnetic layer and damping ratios. Moreover, results indicate that the flexoelectric effect could be made use to build a dielectric/piezomagnetic nano energy harvester. This work provides modeling techniques and numerical methods for investigating the size-dependent properties of MEE nanoplate-based energy harvester and could be helpful for designing nano energy harvesters using the principle of flexoelectricity.

  15. Experimental test of Neel's theory of the Rayleigh rule using gradually devitrified Co-based glass

    International Nuclear Information System (INIS)

    Lachowicz, H.K.

    2000-01-01

    It is shown that gradually devitrified Co-based nonmagnetostrictive metallic glass is an excellent model material to verify Louis Neel's theory of the Rayleigh rule. In the course of the calculations, Neel showed that the parameter p=bH c /a (where H c is the coercivity, a and b are the coefficients of a quadratic polynomial expressing the Rayleigh rule) is expected to range between 0.6 (hard magnets) and 1.6 (soft). However, the experimental values of this parameter, reported in the literature for a number of mono- and poly-crystalline magnets, are much greater than those expected from the theory presented by Neel (in some cases even by two orders of magnitude). The measurements, performed for a series of Co-based metallic glass samples annealed at gradually increasing temperature to produce nanocrystalline structures with differentiated density and size of the crystallites, have shown that the calculated values of the parameter p fall within the range expected from Neel's theory

  16. Knowledge Reduction Based on Divide and Conquer Method in Rough Set Theory

    Directory of Open Access Journals (Sweden)

    Feng Hu

    2012-01-01

    Full Text Available The divide and conquer method is a typical granular computing method using multiple levels of abstraction and granulations. So far, although some achievements based on divided and conquer method in the rough set theory have been acquired, the systematic methods for knowledge reduction based on divide and conquer method are still absent. In this paper, the knowledge reduction approaches based on divide and conquer method, under equivalence relation and under tolerance relation, are presented, respectively. After that, a systematic approach, named as the abstract process for knowledge reduction based on divide and conquer method in rough set theory, is proposed. Based on the presented approach, two algorithms for knowledge reduction, including an algorithm for attribute reduction and an algorithm for attribute value reduction, are presented. Some experimental evaluations are done to test the methods on uci data sets and KDDCUP99 data sets. The experimental results illustrate that the proposed approaches are efficient to process large data sets with good recognition rate, compared with KNN, SVM, C4.5, Naive Bayes, and CART.

  17. Value-at-risk estimation with wavelet-based extreme value theory: Evidence from emerging markets

    Science.gov (United States)

    Cifter, Atilla

    2011-06-01

    This paper introduces wavelet-based extreme value theory (EVT) for univariate value-at-risk estimation. Wavelets and EVT are combined for volatility forecasting to estimate a hybrid model. In the first stage, wavelets are used as a threshold in generalized Pareto distribution, and in the second stage, EVT is applied with a wavelet-based threshold. This new model is applied to two major emerging stock markets: the Istanbul Stock Exchange (ISE) and the Budapest Stock Exchange (BUX). The relative performance of wavelet-based EVT is benchmarked against the Riskmetrics-EWMA, ARMA-GARCH, generalized Pareto distribution, and conditional generalized Pareto distribution models. The empirical results show that the wavelet-based extreme value theory increases predictive performance of financial forecasting according to number of violations and tail-loss tests. The superior forecasting performance of the wavelet-based EVT model is also consistent with Basel II requirements, and this new model can be used by financial institutions as well.

  18. Theory-based approaches to understanding public emergency preparedness: implications for effective health and risk communication.

    Science.gov (United States)

    Paek, Hye-Jin; Hilyard, Karen; Freimuth, Vicki; Barge, J Kevin; Mindlin, Michele

    2010-06-01

    Recent natural and human-caused disasters have awakened public health officials to the importance of emergency preparedness. Guided by health behavior and media effects theories, the analysis of a statewide survey in Georgia reveals that self-efficacy, subjective norm, and emergency news exposure are positively associated with the respondents' possession of emergency items and their stages of emergency preparedness. Practical implications suggest less focus on demographics as the sole predictor of emergency preparedness and more comprehensive measures of preparedness, including both a person's cognitive stage of preparedness and checklists of emergency items on hand. We highlight the utility of theory-based approaches for understanding and predicting public emergency preparedness as a way to enable more effective health and risk communication.

  19. An impurity solver for nonequilibrium dynamical mean field theory based on hierarchical quantum master equations

    Energy Technology Data Exchange (ETDEWEB)

    Haertle, Rainer [Institut fuer Theoretische Physik, Georg-August-Universitaet Goettingen, Goettingen (Germany); Millis, Andrew J. [Department of Physics, Columbia University, New York (United States)

    2016-07-01

    We present a new impurity solver for real-time and nonequilibrium dynamical mean field theory applications, based on the recently developed hierarchical quantum master equation approach. Our method employs a hybridization expansion of the time evolution operator, including an advanced, systematic truncation scheme. Convergence to exact results for not too low temperatures has been demonstrated by a direct comparison to quantum Monte Carlo simulations. The approach is time-local, which gives us access to slow dynamics such as, e.g., in the presence of magnetic fields or exchange interactions and to nonequilibrium steady states. Here, we present first results of this new scheme for the description of strongly correlated materials in the framework of dynamical mean field theory, including benchmark and new results for the Hubbard and periodic Anderson model.

  20. Flexoelectric Effect on Vibration of Piezoelectric Microbeams Based on a Modified Couple Stress Theory

    Directory of Open Access Journals (Sweden)

    Xingjia Li

    2017-01-01

    Full Text Available A novel electric Gibbs function was proposed for the piezoelectric microbeams (PMBs by employing a modified couple stress theory. Based on the new Gibbs function and the Euler-Bernoulli beam theory, the governing equations which incorporate the effects of couple stress, flexoelectricity, and piezoelectricity were derived for the mechanics of PMBs. The analysis of the effective bending rigidity shows the effects of size and flexoelectricity can greaten the stiffness of PMBs so that the natural frequency increases significantly compared with the Euler-Bernoulli beam, and then the mechanical and electrical properties of PMBs are enhanced compared to the classical beam. This study can guide the design of microscale piezoelectric/flexoelectric structures which may find potential applications in the microelectromechanical systems (MEMS.

  1. Consensus based on learning game theory with a UAV rendezvous application

    Directory of Open Access Journals (Sweden)

    Zhongjie Lin

    2015-02-01

    Full Text Available Multi-agent cooperation problems are becoming more and more attractive in both civilian and military applications. In multi-agent cooperation problems, different network topologies will decide different manners of cooperation between agents. A centralized system will directly control the operation of each agent with information flow from a single centre, while in a distributed system, agents operate separately under certain communication protocols. In this paper, a systematic distributed optimization approach will be established based on a learning game algorithm. The convergence of the algorithm will be proven under the game theory framework. Two typical consensus problems will be analyzed with the proposed algorithm. The contributions of this work are threefold. First, the designed algorithm inherits the properties in learning game theory for problem simplification and proof of convergence. Second, the behaviour of learning endows the algorithm with robustness and autonomy. Third, with the proposed algorithm, the consensus problems will be analyzed from a novel perspective.

  2. SIX SIGMA FRAMEWORKS: AN ANALYSIS BASED ON ROGERS’ DIFFUSION OF INNOVATION THEORY

    Directory of Open Access Journals (Sweden)

    Kifayah Amar

    2012-06-01

    Full Text Available This paper attempt to analyze frameworks related to Six Sigma and Lean Six Sigma. The basis of analysis the frameworks is the diffusion of innovation theory. Several criteria was used to analyze the frameworks e.g. relative advantage, compatibility, complexity, trialability, observability, communication channels, nature of the social system/culture and extent of change agent. Based on framework analysis, there is only one framework fits to Rogers’ theory on diffusion of innovation. The framework is a Lean Six Sigma framework which consists elements such owner/manager commitment and involvement, employee involvement, training, culture change and external support. Even though the elements have similarity to other Six Sigma frameworks but they put more attention on culture change and external support. Generally speaking, the culture change and external support are the most important elements to the implementation of Six Sigma or other soft approaches particularly for small organizations.

  3. Nonthermal fusion reactor concept based on Hall-effect magnetohydrodynamics plasma theory

    International Nuclear Information System (INIS)

    Witalis, E.A.

    1988-01-01

    The failure of magnetic confinement controlled thermonuclear fusion research to achieve its goal is attributed to its foundation on the incomplete MHD plasma description instead of the more general HMHD (Hall-effect magnetohydrodynamics) theory. The latter allows for a certain magnetic plasma self-confinement under described stringent conditions. A reactor concept based on the formation, acceleration, and forced disintegration of magnetized whirl structures, plasmoids, is proposed. The four conventional MHD theory objections, i.e., absence of dynamo action, fast decay caused by resistivity, non-existence of magnetic self-confinement, and negligible non-thermal fusion yield, are shown not to apply. Support for the scheme from dense plasma focus research is pointed out. (orig.) [de

  4. [Mathematical exploration of essence of herbal properties based on "Three-Elements" theory].

    Science.gov (United States)

    Jin, Rui; Zhao, Qian; Zhang, Bing

    2014-10-01

    Herbal property theory of traditional Chinese medicines is the theoretical guidance on authentication of medicinal plants, herborization, preparation of herbal medicines for decoction and clinical application, with important theoretical value and prac- tical significance. Our research team proposed the "three-element" theory for herbal properties for the first time, conducted a study by using combined methods of philology, chemistry, pharmacology and mathematics, and then drew the research conclusion that herbal properties are defined as the chemical compositions-based comprehensive expression with complex and multi-level (positive/negative) biological effects in specific organism state. In this paper, researchers made a systematic mathematical analysis in four aspects--the correlation between herbal properties and chemical component factors, the correlation between herbal properties and organism state fac- tor, the correlation between herbal properties and biological effect factor and the integration study of the three elements, proposed future outlook, and provided reference to mathematical studies and mathematical analysis of herbal properties.

  5. SIX SIGMA FRAMEWORKS: AN ANALYSIS BASED ON ROGERS’ DIFFUSION OF INNOVATION THEORY

    Directory of Open Access Journals (Sweden)

    Kifayah Amar

    2012-06-01

    Full Text Available This paper attempt to analyze frameworks related to Six Sigma and Lean Six Sigma. The basis of analysis the frameworks is the diffusion of innovation theory. Several criteria was used to analyze the frameworks e.g. relative advantage, compatibility, complexity, trialability, observability, communication channels, nature of the social system/culture and extent of change agent.    Based on framework analysis, there is only one framework fits to Rogers’ theory on diffusion of innovation. The framework is a Lean Six Sigma framework which consists elements such owner/manager commitment and involvement, employee involvement, training, culture change and external support. Even though the elements have similarity to other Six Sigma frameworks but they put more attention on culture change and external support. Generally speaking, the culture change and external support are the most important elements to the implementation of Six Sigma or other soft approaches particularly for small organizations.

  6. Intelligent robust control law for induction motors based on field-oriented control theory

    Energy Technology Data Exchange (ETDEWEB)

    Barambones, O.; Alcorta, P.; Sevillano, G.; Garrido, A.; Garrido, I. [Univ. del Pais Vasco, Bilbao (Spain). Dpto. Ingenieri a de Sistemas y Automatica

    2009-07-01

    A sensorless adaptive control law was developed to improve the trajectory tracking performance of induction motors. The law used an integral sliding mode algorithm to avoid the necessity of calculating an upper bound for system uncertainties. The vector control theory was used to develop the induction motor drives. The sliding mode control law incorporated an adaptive switching gain and included a method of estimating rotor speeds. Rotor speed estimation errors were presented as a first order simple function based on the difference between real stator currents and estimated stator currents. The Lyapunov stability theory was used to analyze the controller under different load disturbances and parameter uncertainties. Results of the study showed that the control signal of the scheme was smaller than signals obtained using traditional variable structure control schemes. It was concluded that speed tracking objectives can be obtained under various parameter and torque uncertainties. 9 refs., 7 figs.

  7. Analysis of Product Distribution Strategy in Digital Publishing Industry Based on Game-Theory

    Science.gov (United States)

    Xu, Li-ping; Chen, Haiyan

    2017-04-01

    The digital publishing output increased significantly year by year. It has been the most vigorous point of economic growth and has been more important to press and publication industry. Its distribution channel has been diversified, which is different from the traditional industry. A deep research has been done in digital publishing industry, for making clear of the constitution of the industry chain and establishing the model of industry chain. The cooperative and competitive relationship between different distribution channels have been analyzed basing on a game-theory. By comparing the distribution quantity and the market size between the static distribution strategy and dynamic distribution strategy, we get the theory evidence about how to choose the distribution strategy to get the optimal benefit.

  8. Evaluation of a social cognitive theory-based yoga intervention to reduce anxiety.

    Science.gov (United States)

    Mehta, Purvi; Sharma, Manoj

    Yoga is often viewed as a form of alternative and complementary medicine, as it strives to achieve equilibrium between the body and mind that aids healing. Studies have shown the beneficial role of yoga in anxiety reduction. The purpose of this study was to design and evaluate a 10-week social cognitive theory based yoga intervention to reduce anxiety. The yoga intervention utilized the constructs of behavioral capability, expectations, self-efficacy for yoga from social cognitive theory, and included asanas (postures), pranayama (breathing techniques), shava asana (relaxation), and dhyana (meditation). A one-between and one-within group, quasi-experimental design was utilized for evaluation. Scales measuring expectations from yoga, self-efficacy for yoga, and Speilberger's State Trait Anxiety Inventory, were administered before and after the intervention. Repeated measures analyses of variance (ANOVA) were performed to compare pre-test and post-test scores in the two groups. Yoga as an approach shows promising results for anxiety reduction.

  9. A Dynamic Resource Scheduling Method Based on Fuzzy Control Theory in Cloud Environment

    Directory of Open Access Journals (Sweden)

    Zhijia Chen

    2015-01-01

    Full Text Available The resources in cloud environment have features such as large-scale, diversity, and heterogeneity. Moreover, the user requirements for cloud computing resources are commonly characterized by uncertainty and imprecision. Hereby, to improve the quality of cloud computing service, not merely should the traditional standards such as cost and bandwidth be satisfied, but also particular emphasis should be laid on some extended standards such as system friendliness. This paper proposes a dynamic resource scheduling method based on fuzzy control theory. Firstly, the resource requirements prediction model is established. Then the relationships between resource availability and the resource requirements are concluded. Afterwards fuzzy control theory is adopted to realize a friendly match between user needs and resources availability. Results show that this approach improves the resources scheduling efficiency and the quality of service (QoS of cloud computing.

  10. Multiple exciton generation in chiral carbon nanotubes: Density functional theory based computation

    Science.gov (United States)

    Kryjevski, Andrei; Mihaylov, Deyan; Kilina, Svetlana; Kilin, Dmitri

    2017-10-01

    We use a Boltzmann transport equation (BE) to study time evolution of a photo-excited state in a nanoparticle including phonon-mediated exciton relaxation and the multiple exciton generation (MEG) processes, such as exciton-to-biexciton multiplication and biexciton-to-exciton recombination. BE collision integrals are computed using Kadanoff-Baym-Keldysh many-body perturbation theory based on density functional theory simulations, including exciton effects. We compute internal quantum efficiency (QE), which is the number of excitons generated from an absorbed photon in the course of the relaxation. We apply this approach to chiral single-wall carbon nanotubes (SWCNTs), such as (6,2) and (6,5). We predict efficient MEG in the (6,2) and (6,5) SWCNTs within the solar spectrum range starting at the 2Eg energy threshold and with QE reaching ˜1.6 at about 3Eg, where Eg is the electronic gap.

  11. Aberration measurement of projection optics in lithographic tools based on two-beam interference theory

    International Nuclear Information System (INIS)

    Ma Mingying; Wang Xiangzhao; Wang Fan

    2006-01-01

    The degradation of image quality caused by aberrations of projection optics in lithographic tools is a serious problem in optical lithography. We propose what we believe to be a novel technique for measuring aberrations of projection optics based on two-beam interference theory. By utilizing the partial coherent imaging theory, a novel model that accurately characterizes the relative image displacement of a fine grating pattern to a large pattern induced by aberrations is derived. Both even and odd aberrations are extracted independently from the relative image displacements of the printed patterns by two-beam interference imaging of the zeroth and positive first orders. The simulation results show that by using this technique we can measure the aberrations present in the lithographic tool with higher accuracy

  12. Aberration measurement of projection optics in lithographic tools based on two-beam interference theory.

    Science.gov (United States)

    Ma, Mingying; Wang, Xiangzhao; Wang, Fan

    2006-11-10

    The degradation of image quality caused by aberrations of projection optics in lithographic tools is a serious problem in optical lithography. We propose what we believe to be a novel technique for measuring aberrations of projection optics based on two-beam interference theory. By utilizing the partial coherent imaging theory, a novel model that accurately characterizes the relative image displacement of a fine grating pattern to a large pattern induced by aberrations is derived. Both even and odd aberrations are extracted independently from the relative image displacements of the printed patterns by two-beam interference imaging of the zeroth and positive first orders. The simulation results show that by using this technique we can measure the aberrations present in the lithographic tool with higher accuracy.

  13. Towards a Dynamic Resource-Based View: Insights from Austrian capital and Entrepreneurship Theory

    DEFF Research Database (Denmark)

    Foss, Nicolai Juul; Ishikawa, Ibuki

    The dominant view in the strategic management field is the resource-based view ("RBV"). It has often been observed that the RBV is lacking in the dynamic dimension. For example, processes of building competitive advantages by means of combining existing complementary resources in novel ways...... are not inquired into. We argue that the RBV may profitably draw on Austrian (Misesian) and Knightian insights in entrepreneurship and capital theory, particularly in its Lachmannian manifestation, in order to strengthen its dynamic components. We link the RBV and Austrian ideas in the context of the theory...... of complex systems pioneered by Herbert Simon. We draw a number of implications for strategic management from this synthesis, notably into resource value and sustainability of competitive advantage.JEL Code: B53, D21, L23, M1...

  14. Network theory-based analysis of risk interactions in large engineering projects

    International Nuclear Information System (INIS)

    Fang, Chao; Marle, Franck; Zio, Enrico; Bocquet, Jean-Claude

    2012-01-01

    This paper presents an approach based on network theory to deal with risk interactions in large engineering projects. Indeed, such projects are exposed to numerous and interdependent risks of various nature, which makes their management more difficult. In this paper, a topological analysis based on network theory is presented, which aims at identifying key elements in the structure of interrelated risks potentially affecting a large engineering project. This analysis serves as a powerful complement to classical project risk analysis. Its originality lies in the application of some network theory indicators to the project risk management field. The construction of the risk network requires the involvement of the project manager and other team members assigned to the risk management process. Its interpretation improves their understanding of risks and their potential interactions. The outcomes of the analysis provide a support for decision-making regarding project risk management. An example of application to a real large engineering project is presented. The conclusion is that some new insights can be found about risks, about their interactions and about the global potential behavior of the project. - Highlights: ► The method addresses the modeling of complexity in project risk analysis. ► Network theory indicators enable other risks than classical criticality analysis to be highlighted. ► This topological analysis improves project manager's understanding of risks and risk interactions. ► This helps project manager to make decisions considering the position in the risk network. ► An application to a real tramway implementation project in a city is provided.

  15. Cognitive Effects of Mindfulness Training: Results of a Pilot Study Based on a Theory Driven Approach.

    Science.gov (United States)

    Wimmer, Lena; Bellingrath, Silja; von Stockhausen, Lisa

    2016-01-01

    The present paper reports a pilot study which tested cognitive effects of mindfulness practice in a theory-driven approach. Thirty-four fifth graders received either a mindfulness training which was based on the mindfulness-based stress reduction approach (experimental group), a concentration training (active control group), or no treatment (passive control group). Based on the operational definition of mindfulness by Bishop et al. (2004), effects on sustained attention, cognitive flexibility, cognitive inhibition, and data-driven as opposed to schema-based information processing were predicted. These abilities were assessed in a pre-post design by means of a vigilance test, a reversible figures test, the Wisconsin Card Sorting Test, a Stroop test, a visual search task, and a recognition task of prototypical faces. Results suggest that the mindfulness training specifically improved cognitive inhibition and data-driven information processing.

  16. Cognitive effects of mindfulness training: Results of a pilot study based on a theory driven approach

    Directory of Open Access Journals (Sweden)

    Lena Wimmer

    2016-07-01

    Full Text Available The present paper reports a pilot study which tested cognitive effects of mindfulness practice in a theory-driven approach. Thirty-four fifth graders received either a mindfulness training which was based on the mindfulness-based stress reduction approach (experimental group, a concentration training (active control group or no treatment (passive control group. Based on the operational definition of mindfulness by Bishop et al. (2004, effects on sustained attention, cognitive flexibility, cognitive inhibition and data-driven as opposed to schema-based information processing were predicted. These abilities were assessed in a pre-post design by means of a vigilance test, a reversible figures test, the Wisconsin Card Sorting Test, a Stroop test, a visual search task, and a recognition task of prototypical faces. Results suggest that the mindfulness training specifically improved cognitive inhibition and data-driven information processing.

  17. Expression for time travel based on diffusive wave theory: applicability and considerations

    Science.gov (United States)

    Aguilera, J. C.; Escauriaza, C. R.; Passalacqua, P.; Gironas, J. A.

    2017-12-01

    Prediction of hydrological response is of utmost importance when dealing with urban planning, risk assessment, or water resources management issues. With the advent of climate change, special care must be taken with respect to variations in rainfall and runoff due to rising temperature averages. Nowadays, while typical workstations have adequate power to run distributed routing hydrological models, it is still not enough for modeling on-the-fly, a crucial ability in a natural disaster context, where rapid decisions must be made. Semi-distributed time travel models, which compute a watershed's hydrograph without explicitly solving the full shallow water equations, appear as an attractive approach to rainfall-runoff modeling since, like fully distributed models, also superimpose a grid on the watershed, and compute runoff based on cell parameter values. These models are heavily dependent on the travel time expression for an individual cell. Many models make use of expressions based on kinematic wave theory, which is not applicable in cases where watershed storage is important, such as mild slopes. This work presents a new expression for concentration times in overland flow, based on diffusive wave theory, which considers not only the effects of storage but also the effects on upstream contribution. Setting upstream contribution equal to zero gives an expression consistent with previous work on diffusive wave theory; on the other hand, neglecting storage effects (i.e.: diffusion,) is shown to be equivalent to kinematic wave theory, currently used in many spatially distributed time travel models. The newly found expression is shown to be dependent on plane discretization, particularly when dealing with very non-kinematic cases. This is shown to be the result of upstream contribution, which gets larger downstream, versus plane length. This result also provides some light on the limits on applicability of the expression: when a certain kinematic threshold is reached, the

  18. MpTheory Java library: a multi-platform Java library for systems biology based on the Metabolic P theory.

    Science.gov (United States)

    Marchetti, Luca; Manca, Vincenzo

    2015-04-15

    MpTheory Java library is an open-source project collecting a set of objects and algorithms for modeling observed dynamics by means of the Metabolic P (MP) theory, that is, a mathematical theory introduced in 2004 for modeling biological dynamics. By means of the library, it is possible to model biological systems both at continuous and at discrete time. Moreover, the library comprises a set of regression algorithms for inferring MP models starting from time series of observations. To enhance the modeling experience, beside a pure Java usage, the library can be directly used within the most popular computing environments, such as MATLAB, GNU Octave, Mathematica and R. The library is open-source and licensed under the GNU Lesser General Public License (LGPL) Version 3.0. Source code, binaries and complete documentation are available at http://mptheory.scienze.univr.it. luca.marchetti@univr.it, marchetti@cosbi.eu Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  19. Simulating Single Word Processing in the Classic Aphasia Syndromes Based on the Wernicke-Lichtheim-Geschwind Theory

    Science.gov (United States)

    Weems, Scott A.; Reggia, James A.

    2006-01-01

    The Wernicke-Lichtheim-Geschwind (WLG) theory of the neurobiological basis of language is of great historical importance, and it continues to exert a substantial influence on most contemporary theories of language in spite of its widely recognized limitations. Here, we suggest that neurobiologically grounded computational models based on the WLG…

  20. A sampling-based computational strategy for the representation of epistemic uncertainty in model predictions with evidence theory.

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, J. D. (Prostat, Mesa, AZ); Oberkampf, William Louis; Helton, Jon Craig (Arizona State University, Tempe, AZ); Storlie, Curtis B. (North Carolina State University, Raleigh, NC)

    2006-10-01

    Evidence theory provides an alternative to probability theory for the representation of epistemic uncertainty in model predictions that derives from epistemic uncertainty in model inputs, where the descriptor epistemic is used to indicate uncertainty that derives from a lack of knowledge with respect to the appropriate values to use for various inputs to the model. The potential benefit, and hence appeal, of evidence theory is that it allows a less restrictive specification of uncertainty than is possible within the axiomatic structure on which probability theory is based. Unfortunately, the propagation of an evidence theory representation for uncertainty through a model is more computationally demanding than the propagation of a probabilistic representation for uncertainty, with this difficulty constituting a serious obstacle to the use of evidence theory in the representation of uncertainty in predictions obtained from computationally intensive models. This presentation describes and illustrates a sampling-based computational strategy for the representation of epistemic uncertainty in model predictions with evidence theory. Preliminary trials indicate that the presented strategy can be used to propagate uncertainty representations based on evidence theory in analysis situations where naive sampling-based (i.e., unsophisticated Monte Carlo) procedures are impracticable due to computational cost.