Helms, Lester L
2014-01-01
Potential Theory presents a clear path from calculus to classical potential theory and beyond, with the aim of moving the reader into the area of mathematical research as quickly as possible. The subject matter is developed from first principles using only calculus. Commencing with the inverse square law for gravitational and electromagnetic forces and the divergence theorem, the author develops methods for constructing solutions of Laplace's equation on a region with prescribed values on the boundary of the region. The latter half of the book addresses more advanced material aimed at those with the background of a senior undergraduate or beginning graduate course in real analysis. Starting with solutions of the Dirichlet problem subject to mixed boundary conditions on the simplest of regions, methods of morphing such solutions onto solutions of Poisson's equation on more general regions are developed using diffeomorphisms and the Perron-Wiener-Brelot method, culminating in application to Brownian motion. In ...
Harmonic Functions and Potentials on Finite or Infinite Networks
Anandam, Victor
2011-01-01
Random walks, Markov chains and electrical networks serve as an introduction to the study of real-valued functions on finite or infinite graphs, with appropriate interpretations using probability theory and current-voltage laws. The relation between this type of function theory and the (Newton) potential theory on the Euclidean spaces is well-established. The latter theory has been variously generalized, one example being the axiomatic potential theory on locally compact spaces developed by Brelot, with later ramifications from Bauer, Constantinescu and Cornea. A network is a graph with edge-w
Lukeš, Jaroslav; Netuka, Ivan; Veselý, Jiří
1988-01-01
Within the tradition of meetings devoted to potential theory, a conference on potential theory took place in Prague on 19-24, July 1987. The Conference was organized by the Faculty of Mathematics and Physics, Charles University, with the collaboration of the Institute of Mathematics, Czechoslovak Academy of Sciences, the Department of Mathematics, Czech University of Technology, the Union of Czechoslovak Mathematicians and Physicists, the Czechoslovak Scientific and Technical Society, and supported by IMU. During the Conference, 69 scientific communications from different branches of potential theory were presented; the majority of them are in cluded in the present volume. (Papers based on survey lectures delivered at the Conference, its program as well as a collection of problems from potential theory will appear in a special volume of the Lecture Notes Series published by Springer-Verlag). Topics of these communications truly reflect the vast scope of contemporary potential theory. Some contributions deal...
Chiu, Huei-Huang
1989-01-01
A theoretical method is being developed by which the structure of a radiation field can be predicted by a radiation potential theory, similar to a classical potential theory. The introduction of a scalar potential is justified on the grounds that the spectral intensity vector is irrotational. The vector is also solenoidal in the limits of a radiation field in complete radiative equilibrium or in a vacuum. This method provides an exact, elliptic type equation that will upgrade the accuracy and the efficiency of the current CFD programs required for the prediction of radiation and flow fields. A number of interesting results emerge from the present study. First, a steady state radiation field exhibits an optically modulated inverse square law distribution character. Secondly, the unsteady radiation field is structured with two conjugate scalar potentials. Each is governed by a Klein-Gordon equation with a frictional force and a restoring force. This steady potential field structure and the propagation of radiation potentials are consistent with the well known results of classical electromagnetic theory. The extension of the radiation potential theory for spray combustion and hypersonic flow is also recommended.
Potential Theory Surveys and Problems
Lukeš, Jaroslav; Netuka, Ivan; Veselý, Jiří
1988-01-01
The volume comprises eleven survey papers based on survey lectures delivered at the Conference in Prague in July 1987, which covered various facets of potential theory, including its applications in other areas. The survey papers deal with both classical and abstract potential theory and its relations to partial differential equations, stochastic processes and other branches such as numerical analysis and topology. A collection of problems from potential theory, compiled on the occasion of the conference, is included, with additional commentaries, in the second part of this volume.
Potential Theory of Multicomponent Adsorption
DEFF Research Database (Denmark)
Shapiro, Alexander; Stenby, Erling Halfdan
1998-01-01
We developed a theory of multicomponent adsorption on the basis of the potential concept originally suggested by Polanyi. The mixture is considered as a heterogeneous substance segregated in the external field emitted by the adsorbent. The same standard equation of state, with no additional fitting...... parameters, is used for the segregated and for the bulk phases. With this approach, few parameters are needed to correlate pure component adsorption isotherms. These parameters may be used to predict adsorption equilibria of multicomponent mixtures without additional adjustment. A connection between...... the potential theory and the spreading pressure concept is established, and problems of the theory consistency are studied. Numerical algorithms are suggested for evaluation of the segregated state of the mixture in the potential field of adsorption forces. Comparison with experimental data shows good agreement...
Field Analysis and Potential Theory
1985-06-01
T T T 430 FIELD ANALYSIS AND POTENTIAL THEORY [Sec.5.7 But V2f [ dT - Z j V2 Jxdr T T hence V c2at 7- dT _- J2 (J2 dT T TT whence dalf [13 dT " 0 (5.7...8) at exterior points or dal pot [2] - O (5.7-8(a)) Similarly, dalf r dS - 0 (5.7-9) dal [y] ds - 0 (5.7-10) r Sec.5.7] RETARDED POTENTIAL THEORY 431
Potential Theory in Classical Electrodynamics
Engelhardt, Wolfgang
2012-01-01
In Maxwell's classical theory of electrodynamics the fields are frequently expressed by potentials in order to facilitate the solution of the first order system of equations. This method obscures, however, that there exists an inconsistency between Faraday's law of induction and Maxwell's flux law. As a consequence of this internal contradiction there is neither gauge invariance, nor exist unique solutions in general. It is also demonstrated that inhomogeneous wave equations cannot be solved by retarded integrals.
Diatomic interaction potential theory applications
Goodisman, Jerry
2013-01-01
Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes des
Potential Theory for Directed Networks
Zhang, Qian-Ming; Lü, Linyuan; Wang, Wen-Qiang; Zhou, Tao
2013-01-01
Uncovering factors underlying the network formation is a long-standing challenge for data mining and network analysis. In particular, the microscopic organizing principles of directed networks are less understood than those of undirected networks. This article proposes a hypothesis named potential theory, which assumes that every directed link corresponds to a decrease of a unit potential and subgraphs with definable potential values for all nodes are preferred. Combining the potential theory with the clustering and homophily mechanisms, it is deduced that the Bi-fan structure consisting of 4 nodes and 4 directed links is the most favored local structure in directed networks. Our hypothesis receives strongly positive supports from extensive experiments on 15 directed networks drawn from disparate fields, as indicated by the most accurate and robust performance of Bi-fan predictor within the link prediction framework. In summary, our main contribution is twofold: (i) We propose a new mechanism for the local organization of directed networks; (ii) We design the corresponding link prediction algorithm, which can not only testify our hypothesis, but also find out direct applications in missing link prediction and friendship recommendation. PMID:23408979
Magnetic fields, special relativity and potential theory elementary electromagnetic theory
Chirgwin, B H; Kilmister, C W
1972-01-01
Magnetic Fields, Special Relativity and Potential Theory is an introduction to electromagnetism, special relativity, and potential theory, with emphasis on the magnetic field of steady currents (magnetostatics). Topics covered range from the origin of the magnetic field and the magnetostatic scalar potential to magnetization, electromagnetic induction and magnetic energy, and the displacement current and Maxwell's equations. This volume is comprised of five chapters and begins with an overview of magnetostatics, followed by a chapter on the methods of solving potential problems drawn from elec
Andrievskii, Vladimir
2006-01-01
This is a survey of some recent results concerning polynomial inequalities and polynomial approximation of functions in the complex plane. The results are achieved by the application of methods and techniques of modern geometric function theory and potential theory.
Optical potentials in algebraic scattering theory
Energy Technology Data Exchange (ETDEWEB)
Levay, Peter [Institute of Theoretical Physics, Technical University of Budapest, Budapest (Hungary)
1999-02-12
Using the theory of induced representations new realizations for the Lie algebras of the groups SO(2, 1), SO(2, 2), SO(3, 2) are found. The eigenvalue problem of the Casimir operators yield Schroedinger equations with non-Hermitian interaction terms (i.e. optical potentials). For the group SO(2, 2) we have a two-parameter family of (matrix-valued) potentials containing terms of Poeschl-Teller and Gendenshtein type. We calculate the S-matrices for special values of this two-parameter family. In particular we also include a derivation of the S-matrix for the two-dimensional scattering problem on a complex Gendenshtein potential. The canonically transformed realization results in a non-local optical potential. (author)
Effective field theory approaches for tensor potentials
Energy Technology Data Exchange (ETDEWEB)
Jansen, Maximilian
2016-11-14
Effective field theories are a widely used tool to study physical systems at low energies. We apply them to systematically analyze two and three particles interacting via tensor potentials. Two examples are addressed: pion interactions for anti D{sup 0}D{sup *0} scattering to dynamically generate the X(3872) and dipole interactions for two and three bosons at low energies. For the former, the one-pion exchange and for the latter, the long-range dipole force induce a tensor-like structure of the potential. We apply perturbative as well as non-perturbative methods to determine low-energy observables. The X(3872) is of major interest in modern high-energy physics. Its exotic characteristics require approaches outside the range of the quark model for baryons and mesons. Effective field theories represent such methods and provide access to its peculiar nature. We interpret the X(3872) as a hadronic molecule consisting of neutral D and D{sup *} mesons. It is possible to apply an effective field theory with perturbative pions. Within this framework, we address chiral as well as finite volume extrapolations for low-energy observables, such as the binding energy and the scattering length. We show that the two-point correlation function for the D{sup *0} meson has to be resummed to cure infrared divergences. Moreover, next-to-leading order coupling constants, which were introduced by power counting arguments, appear to be essential to renormalize the scattering amplitude. The binding energy as well as the scattering length display a moderate dependence on the light quark masses. The X(3872) is most likely deeper bound for large light quark masses. In a finite volume on the other hand, the binding energy significantly increases. The dependence on the light quark masses and the volume size can be simultaneously obtained. For bosonic dipoles we apply a non-perturbative, numerical approach. We solve the Lippmann-Schwinger equation for the two-dipole system and the Faddeev
The shear viscosity of gauge theory plasma with chemical potentials
Benincasa, P; Naryshkin, R; Benincasa, Paolo; Buchel, Alex; Naryshkin, Roman
2007-01-01
We consider strongly coupled gauge theory plasma with conserved global charges that allow for a dual gravitational description. We study the shear viscosity of the gauge theory plasma in the presence of chemical potentials for these charges. Using gauge theory/string theory correspondence we prove that at large 't Hooft coupling the ratio of the shear viscosity to the entropy density is universal.
The shear viscosity of gauge theory plasma with chemical potentials
Benincasa, Paolo; Buchel, Alex; Naryshkin, Roman
2007-02-01
We consider strongly coupled gauge theory plasma with conserved global charges that allow for a dual gravitational description. We study the shear viscosity of the gauge theory plasma in the presence of chemical potentials for these charges. Using gauge theory/string theory correspondence we prove that at large 't Hooft coupling the ratio of the shear viscosity to the entropy density is universal.
The shear viscosity of gauge theory plasma with chemical potentials
Energy Technology Data Exchange (ETDEWEB)
Benincasa, Paolo [Department of Applied Mathematics, University of Western Ontario, London, Ontario N6A 5B7 (Canada); Buchel, Alex [Department of Applied Mathematics, University of Western Ontario, London, Ontario N6A 5B7 (Canada) and Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2J 2W9 (Canada)]. E-mail: abuchel@perimeterinstitute.ca; Naryshkin, Roman [Department of Applied Mathematics, University of Western Ontario, London, Ontario N6A 5B7 (Canada); Physics Department, Taras Shevchenko Kiev National University, Prosp. Glushkova 6, Kiev 03022 (Ukraine)
2007-02-08
We consider strongly coupled gauge theory plasma with conserved global charges that allow for a dual gravitational description. We study the shear viscosity of the gauge theory plasma in the presence of chemical potentials for these charges. Using gauge theory/string theory correspondence we prove that at large 't Hooft coupling the ratio of the shear viscosity to the entropy density is universal.
Singularity theory for W-algebra potentials
Gaite, J C
1993-01-01
The Landau potentials of $W_3$-algebra models are analyzed with algebraic-geometric methods. The number of ground states and the number of independent perturbations of every potential coincide and can be computed. This number agrees with the structure of ground states obtained in a previous paper, namely, as the phase structure of the IRF models of Jimbo et al. The singularities associated to these potentials are identified.
Effective potential in density matrix functional theory.
Nagy, A; Amovilli, C
2004-10-01
In the previous paper it was shown that in the ground state the diagonal of the spin independent second-order density matrix n can be determined by solving a single auxiliary equation of a two-particle problem. Thus the problem of an arbitrary system with even electrons can be reduced to a two-particle problem. The effective potential of the two-particle equation contains a term v(p) of completely kinetic origin. Virial theorem and hierarchy of equations are derived for v(p) and simple approximations are proposed. A relationship between the effective potential u(p) of the shape function equation and the potential v(p) is established.
Potential theory and the Lorenz condition
DEFF Research Database (Denmark)
Appel-Hansen, Jørgen
1994-01-01
When potentials are used to calculate the electromagnetic field intensities choices may be made. The present study is carried out in order to outline the various possibilities. It looks like the types of choices and their number depend on the actual situation and the preferences of the researcher....... Also the explanations as to why choices can be made vary. Since potentials probably are more basic than field intensities, it is of some interest to understand whether choices can be related to physical interpretations or computational advantages in specific situations. In particular, it is discussed...
Pribram-Jones, Aurora
Warm dense matter (WDM) is a high energy phase between solids and plasmas, with characteristics of both. It is present in the centers of giant planets, within the earth's core, and on the path to ignition of inertial confinement fusion. The high temperatures and pressures of warm dense matter lead to complications in its simulation, as both classical and quantum effects must be included. One of the most successful simulation methods is density functional theory-molecular dynamics (DFT-MD). Despite great success in a diverse array of applications, DFT-MD remains computationally expensive and it neglects the explicit temperature dependence of electron-electron interactions known to exist within exact DFT. Finite-temperature density functional theory (FT DFT) is an extension of the wildly successful ground-state DFT formalism via thermal ensembles, broadening its quantum mechanical treatment of electrons to include systems at non-zero temperatures. Exact mathematical conditions have been used to predict the behavior of approximations in limiting conditions and to connect FT DFT to the ground-state theory. An introduction to FT DFT is given within the context of ensemble DFT and the larger field of DFT is discussed for context. Ensemble DFT is used to describe ensembles of ground-state and excited systems. Exact conditions in ensemble DFT and the performance of approximations depend on ensemble weights. Using an inversion method, exact Kohn-Sham ensemble potentials are found and compared to approximations. The symmetry eigenstate Hartree-exchange approximation is in good agreement with exact calculations because of its inclusion of an ensemble derivative discontinuity. Since ensemble weights in FT DFT are temperature-dependent Fermi weights, this insight may help develop approximations well-suited to both ground-state and FT DFT. A novel, highly efficient approach to free energy calculations, finite-temperature potential functional theory, is derived, which has the
Heavy-quarkonium potential with input from lattice gauge theory
Serenone, Willian Matioli
2014-01-01
In this dissertation we study potential models incorporating a nonperturbative propagator obtained from lattice simulations of a pure gauge theory. Initially we review general aspects of gauge theories, the principles of the lattice formulation of quantum chromodynamics (QCD) and some properties of heavy quarkonia, i.e. bound states of a heavy quark and its antiquark. As an illustration of Monte Carlo simulations of lattice models, we present applications in the case of the harmonic oscillator and SU(2) gauge theory. We then study the effect of using a gluon propagator from lattice simulations of pure SU(2) theory as an input in a potential model for the description of quarkonium, in the case of bottomonium and charmonium. We use, in both cases, a numerical approach to evaluate masses of quarkonium states. The resulting spectra are compared to calculations using the Coulomb plus linear (or Cornell) potential.
The Potential-Vortex Theory of the Electromagnetic Field
Tomilin, A K
2010-01-01
Maxwell-Lorenz theory describes only vortex electromagnetic processes. Potential component of the magnetic field is usually excluded by the introduction of mathematical terms: Coulomb and Lorenz gauges. Proposed approach to the construction of the four-dimensional electrodynamics based on the total (four-dimensional) field theory takes into account both vortex and potential components of its characteristics. It is shown that potential components of the electromagnetic field have physical content. System of modified (generalized) Maxwell equations is written. With their help contradictions usually appearing while describing the distribution of electromagnetic waves, are eliminated. Works of other authors obtained similar results are presented and analyzed.
Potential game theory applications in radio resource allocation
Lã, Quang Duy; Soong, Boon-Hee
2016-01-01
This book offers a thorough examination of potential game theory and its applications in radio resource management for wireless communications systems and networking. The book addresses two major research goals: how to identify a given game as a potential game, and how to design the utility functions and the potential functions with certain special properties in order to formulate a potential game. After proposing a unifying mathematical framework for the identification of potential games, the text surveys existing applications of this technique within wireless communications and networking problems found in OFDMA 3G/4G/WiFi networks, as well as next-generation systems such as cognitive radios and dynamic spectrum access networks. Professionals interested in understanding the theoretical aspect of this specialized field will find Potential Game Theory a valuable resource, as will advanced-level engineering students. It paves the way for extensive and rigorous research exploration on a topic whose capacity for...
Effective potential kinetic theory for strongly coupled plasmas
Baalrud, Scott D.; Daligault, Jérôme
2016-11-01
The effective potential theory (EPT) is a recently proposed method for extending traditional plasma kinetic and transport theory into the strongly coupled regime. Validation from experiments and molecular dynamics simulations have shown it to be accurate up to the onset of liquid-like correlation parameters (corresponding to Γ ≃ 10-50 for the one-component plasma, depending on the process of interest). Here, this theory is briefly reviewed along with comparisons between the theory and molecular dynamics simulations for self-diffusivity and viscosity of the one-component plasma. A number of new results are also provided, including calculations of friction coefficients, energy exchange rates, stopping power, and mobility. The theory is also cast in the Landau and Fokker-Planck kinetic forms, which may prove useful for enabling efficient kinetic computations.
Subsonic potential aerodynamics for complex configurations - A general theory
Morino, L.; Kuo, C.-C.
1974-01-01
A general theory of subsonic potential aerodynamic flow around a lifting body having arbitrary shape and motion is presented. By using the Green function method, an integral representation for the velocity potential is obtained for both supersonic and subsonic flow. Under the small perturbation assumption, the potential at any point in the field depends only upon the values of the potential and its normal derivative on the surface of the body. On the surface of the body, this representation reduces to an integro-differential equation relating the potential and its normal derivative (which is known from the boundary conditions) on the surface. The theory is applied to finite-thickness wings in subsonic steady and oscillatory flows.
Structural properties of effective potential model by liquid state theories
Institute of Scientific and Technical Information of China (English)
Xiang Yuan-Tao; Andrej Jamnik; Yang Kai-Wei
2010-01-01
This paper investigates the structural properties of a model fluid dictated by an effective inter-particle oscillatory potential by grand canonical ensemble Monte Carlo (GCEMC) simulation and classical liquid state theories. The chosen oscillatory potential incorporates basic interaction terms used in modeling of various complex fluids which is composed of mesoscopic particles dispersed in a solvent bath, the studied structural properties include radial distribution function in bulk and inhomogeneous density distribution profile due to influence of several external fields. The GCEMC results are employed to test the validity of two recently proposed theoretical approaches in the field of atomic fluids. One is an Ornstein-Zernike integral equation theory approach; the other is a third order + second order perturbation density functional theory. Satisfactory agreement between the GCEMC simulation and the pure theories fully indicates the ready adaptability of the atomic fluid theories to effective model potentials in complex fluids, and classifies the proposed theoretical approaches as convenient tools for the investigation of complex fluids under the single component macro-fluid approximation.
Generating Functionals for Quantum Field Theories with Random Potentials
Jain, Mudit
2015-01-01
We consider generating functionals for computing correlators in quantum field theories with random potentials. Examples of such theories include condensed matter systems with quenched disorder (e.g. spin glass) or cosmological systems in context of the string theory landscape (e.g. cosmic inflation). We use the so-called replica trick to define two different generating functionals for calculating correlators of the quantum fields averaged over a given distribution of random potentials. The first generating functional is appropriate for calculating averaged (in-out) amplitudes and involves a single replica of fields, but the replica limit is taken to an (unphysical) negative one number of fields outside of the path integral. When the number of replicas is doubled the generating functional can also be used for calculating averaged probabilities (squared amplitudes) using the in-in construction. The second generating functional involves an infinite number of replicas, but can be used for calculating both in-out ...
Effective attractive potential between identical dielectric molecules via Lifshitz theory
Institute of Scientific and Technical Information of China (English)
陈来文; 李椿萱
2001-01-01
A general theory of Van der Waals forces developed by Lifshitz based on quantum electrodynamics theory is applied in the range Rλ0 (where the Casimir effects may be neglected) to construct Van der Waals attractive potential between identical dielectric molecules in rarefied media in order that the effective attractive potential between the like-molecules (including the repeat units) is offered. A closed form solution for the integral formulation of the attractive potential between like-particles is first obtained based on certain assumptions made in this work. On the basis of the theory of electric polarization, the derived expression in terms of bulk properties is then compared with the well-known London formula, the former differs from the latter only by the factor (4)/(π)or (4)/(π)(ε∞+2)/(3)2. The validity of the effective potential can be verified by testing cases composed of several types of dielectric materials. The computed results are presented in this paper, and comparisons with the results computed by London dispersion formula, as well as the recommended values in virtue of the experimental and theoretical techniques, are also presented. The effective potential of polyethylene is also computed to demonstrate the effectiveness of the developed model, and it is found that the computed well depth fall within a reasonable range of accuracy.
Potential theory of infinite dimensional L\\'evy processes
Beznea, Lucian; Röckner, Michael
2010-01-01
We study the potential theory of a large class of infinite dimensional L\\'evy processes, including Brownian motion on abstract Wiener spaces. The key result is the construction of compact Lyapunov functions, i.e. excessive functions with compact level sets. Then many techniques from classical potential theory carry over to this infinite dimensional setting. Thus a number of potential theoretic properties and principles can be proved, answering long standing open problems even for the Brownian motion on abstract Wiener space, as e.g. formulated by R. Carmona in 1980. In particular, we prove the analog of the known result, that the Cameron-Martin space is polar, in the L\\'evy case and apply the technique of controlled convergence to solve the Dirichlet problem with general (not necessarily continuous) boundary data.
Perturbation theory calculations of model pair potential systems
Energy Technology Data Exchange (ETDEWEB)
Gong, Jianwu [Iowa State Univ., Ames, IA (United States)
2016-01-01
Helmholtz free energy is one of the most important thermodynamic properties for condensed matter systems. It is closely related to other thermodynamic properties such as chemical potential and compressibility. It is also the starting point for studies of interfacial properties and phase coexistence if free energies of different phases can be obtained. In this thesis, we will use an approach based on the Weeks-Chandler-Anderson (WCA) perturbation theory to calculate the free energy of both solid and liquid phases of Lennard-Jones pair potential systems and the free energy of liquid states of Yukawa pair potentials. Our results indicate that the perturbation theory provides an accurate approach to the free energy calculations of liquid and solid phases based upon comparisons with results from molecular dynamics (MD) and Monte Carlo (MC) simulations.
THE HEURISTIC POTENTIAL OF ANOMIE THEORY IN MODERN CRIMINOLOGY
Directory of Open Access Journals (Sweden)
Alexander Vladislavovich Pletnev
2015-01-01
Full Text Available This article deals with modern English theories of anomie. They can be used in Russian criminology. The main goal of article consists in detection of actual theories of anomie and definition of prospects of their use. As modern theories of anomie are poorly submitted in the Russian sociological and criminological literature, the subject of research is actual. This work contains the analysis of opportunities for adoption of modern conceptions of anomie of individual in Russian practice. During research development of the theory of anomie in the history of sociology was considered. The problem of anomie was admitted actual antique Greece. Anomie which is today concerned with normlessness and related to alienation is associated primarily with the works of Durkheim and Merton. Anomia developed in research by MacIver and Srole as a characteristic of individuals and related to the breakdown of the individual’s sense of attachment to society. Results of theoretical research show that theories of anomie of the personality have the greatest heuristic potential for modern Russian science. Other important conclusion of research is one that the anomie can have some sources of emergence. Further studying of this subject is necessary because English-language theories of anomie contain a set of theoretical and empirical results which can be used in the Russian criminology.
Effective Potential Theory: A Practical Way to Extend Plasma Transport Theory to Strong Coupling
Baalrud, Scott D; Daligault, Jerome
2014-01-01
The effective potential theory is a physically motivated method for extending traditional plasma transport theories to stronger coupling. It is practical in the sense that it is easily incorporated within the framework of the Chapman-Enskog or Grad methods that are commonly applied in plasma physics and it is computationally efficient to evaluate. The extension is to treat binary scatterers as interacting through the potential of mean force, rather than the bare Coulomb or Debye-screened Coulomb potential. This allows for aspects of many-body correlations to be included in the transport coefficients. Recent work has shown that this method accurately extends plasma theory to orders of magnitude stronger coupling when applied to the classical one-component plasma model. The present work shows that similar accuracy is realized for the Yukawa one-component plasma model and it provides a comparison with other approaches.
Cosmological solutions in string theory with dilaton self interaction potential
Mora, C
2003-01-01
In this work we present homogeneous and isotropic cosmological solutions for the low energy limit of string theory with a self interacting potential for the scalar field. For a potential that is a linear combination of two exponential, a family of exact solutions are found for the different spatial curvatures. Among this family a non singular accelerating solution for positive curvature is singled out and the violation of the energy conditions for that solution is studied, and also its astrophysical consequences. The string coupling for this solution is finite. (Author)
Potential landscape and flux field theory of turbulence
Wu, Wei; Wang, Jin
2016-01-01
We have established a potential landscape and flux field theory for stochastic fluid dynamical systems, turbulence systems in particular, governed by stochastically forced Navier-Stokes equations. We have found that detailed balance breaking, which characterizes the nonequilibrium nature of stochastic fluid dynamical systems, leads directly to a pair of interconnected characteristic consequences, namely, the non-Gaussian potential landscape and the nonvanishing irreversible flux. This 'nonequilibrium trinity' is manifested in various aspects and at different levels of nonequilibrium stochastic fluid dynamical systems. The nonequilibrium dynamics of stochastic fluid systems is governed by both the potential landscape and the irreversible flux, due to the potential-flux form of the irreversible driving force arising from detailed balance breaking. We have revealed a deep connection of the energy flux that is essential for turbulence energy cascade to the nonvanishing irreversible flux as well as the non-Gaussia...
Potential theory, path integrals and the Laplacian of the indicator
Lange, Rutger-Jan
2012-11-01
This paper links the field of potential theory — i.e. the Dirichlet and Neumann problems for the heat and Laplace equation — to that of the Feynman path integral, by postulating the following seemingly ill-defined potential: V(x):=∓ {{σ^2}}/2nabla_x^2{1_{{xin D}}} where the volatility is the reciprocal of the mass (i.e. m = 1/ σ 2) and ħ = 1. The Laplacian of the indicator can be interpreted using the theory of distributions: it is the d-dimensional analogue of the Dirac δ'-function, which can formally be defined as partial_x^2{1_{x>0 }} . We show, first, that the path integral's perturbation series (or Born series) matches the classical single and double boundary layer series of potential theory, thereby connecting two hitherto unrelated fields. Second, we show that the perturbation series is valid for all domains D that allow Green's theorem (i.e. with a finite number of corners, edges and cusps), thereby expanding the classical applicability of boundary layers. Third, we show that the minus (plus) in the potential holds for the Dirichlet (Neumann) boundary condition; showing for the first time a particularly close connection between these two classical problems. Fourth, we demonstrate that the perturbation series of the path integral converges as follows:Table Float="No" ID="Taba"> mode of convergence absorbed propagator reflected propagator convex domain alternating monotone concave domain monotone alternating Table> We also discuss the third boundary problem (which poses Robin boundary conditions) and discuss an extension to moving domains.
A theory for the membrane potential of cells
Endresen, L P; Endresen, Lars Petter; Hall, Kevin
1997-01-01
We give an explicit formula for the membrane potential of cells in terms of the intracellular and extracellular ionic concentrations, and derive equations for the ionic currents that flow through channels, exchangers and electrogenic pumps based on simple energy considerations and conservation laws. We demonstrate that the work done by the pump is equal to the potential energy of the cell plus the energy loss due to the downhill ionic fluxes through the channels and the exchanger. Our equations predict osmotic pressure variations. The theory is illustrated in a simple model of spontaneously active cells in the cardiac pacemaker. The simulated action potential and the five currents in the model are in excellent agreement with experiments. The model predicts the experimental observed intracellular ionic concentration of potassium, calcium and sodium. We do not see any drift of the values for the concentrations in a long time simulation, instead we can obtain the same asymptotic values starting with equal intrac...
Electrostatic potential of several small molecules from density functional theory
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
A number of density functional theory (DFT) methods were used to calculate the electrostatic potential for the series of molecules N2, F2, NH3, H2O, CHF3, CHCl3, C6H6, TiF4, CO(NH2)2 and C4H5N3O compared with QCISD (quadratic configuration interaction method including single and double substitutions) results. Comparisons were made between the DFT computed results and the QCISD ab initio ones and MP2 ab initio ones, compared with the root-mean-square deviation and electrostatic potential difference contours figures. It was found that the hybrid DFT method B3LYP, yields electrostatic potential in good agreement with the QCISD results. It is suggest this is a useful approach, especially for large molecules that are difficult to study by ab initio methods.
Density functional theory based generalized effective fragment potential method
Energy Technology Data Exchange (ETDEWEB)
Nguyen, Kiet A., E-mail: kiet.nguyen@wpafb.af.mil, E-mail: ruth.pachter@wpafb.af.mil [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); UES, Inc., Dayton, Ohio 45432 (United States); Pachter, Ruth, E-mail: kiet.nguyen@wpafb.af.mil, E-mail: ruth.pachter@wpafb.af.mil [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); Day, Paul N. [Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States); General Dynamics Information Technology, Inc., Dayton, Ohio 45431 (United States)
2014-06-28
We present a generalized Kohn-Sham (KS) density functional theory (DFT) based effective fragment potential (EFP2-DFT) method for the treatment of solvent effects. Similar to the original Hartree-Fock (HF) based potential with fitted parameters for water (EFP1) and the generalized HF based potential (EFP2-HF), EFP2-DFT includes electrostatic, exchange-repulsion, polarization, and dispersion potentials, which are generated for a chosen DFT functional for a given isolated molecule. The method does not have fitted parameters, except for implicit parameters within a chosen functional and the dispersion correction to the potential. The electrostatic potential is modeled with a multipolar expansion at each atomic center and bond midpoint using Stone's distributed multipolar analysis. The exchange-repulsion potential between two fragments is composed of the overlap and kinetic energy integrals and the nondiagonal KS matrices in the localized molecular orbital basis. The polarization potential is derived from the static molecular polarizability. The dispersion potential includes the intermolecular D3 dispersion correction of Grimme et al. [J. Chem. Phys. 132, 154104 (2010)]. The potential generated from the CAMB3LYP functional has mean unsigned errors (MUEs) with respect to results from coupled cluster singles, doubles, and perturbative triples with a complete basis set limit (CCSD(T)/CBS) extrapolation, of 1.7, 2.2, 2.0, and 0.5 kcal/mol, for the S22, water-benzene clusters, water clusters, and n-alkane dimers benchmark sets, respectively. The corresponding EFP2-HF errors for the respective benchmarks are 2.41, 3.1, 1.8, and 2.5 kcal/mol. Thus, the new EFP2-DFT-D3 method with the CAMB3LYP functional provides comparable or improved results at lower computational cost and, therefore, extends the range of applicability of EFP2 to larger system sizes.
The Potential and Flux Landscape Theory of Ecology
Zhang, Kun; Wang, Erkang; Wang, Jin
2014-01-01
The species in ecosystems are mutually interacting and self sustainable stable for a certain period. Stability and dynamics are crucial for understanding the structure and the function of ecosystems. We developed a potential and flux landscape theory of ecosystems to address these issues. We show that the driving force of the ecological dynamics can be decomposed to the gradient of the potential landscape and the curl probability flux measuring the degree of the breaking down of the detailed balance (due to in or out flow of the energy to the ecosystems). We found that the underlying intrinsic potential landscape is a global Lyapunov function monotonically going down in time and the topology of the landscape provides a quantitative measure for the global stability of the ecosystems. We also quantified the intrinsic energy, the entropy, the free energy and constructed the non-equilibrium thermodynamics for the ecosystems. We studied several typical and important ecological systems: the predation, competition, mutualism and a realistic lynx-snowshoe hare model. Single attractor, multiple attractors and limit cycle attractors emerge from these studies. We studied the stability and robustness of the ecosystems against the perturbations in parameters and the environmental fluctuations. We also found that the kinetic paths between the multiple attractors do not follow the gradient paths of the underlying landscape and are irreversible because of the non-zero flux. This theory provides a novel way for exploring the global stability, function and the robustness of ecosystems. PMID:24497975
The potential and flux landscape theory of ecology.
Directory of Open Access Journals (Sweden)
Li Xu
Full Text Available The species in ecosystems are mutually interacting and self sustainable stable for a certain period. Stability and dynamics are crucial for understanding the structure and the function of ecosystems. We developed a potential and flux landscape theory of ecosystems to address these issues. We show that the driving force of the ecological dynamics can be decomposed to the gradient of the potential landscape and the curl probability flux measuring the degree of the breaking down of the detailed balance (due to in or out flow of the energy to the ecosystems. We found that the underlying intrinsic potential landscape is a global Lyapunov function monotonically going down in time and the topology of the landscape provides a quantitative measure for the global stability of the ecosystems. We also quantified the intrinsic energy, the entropy, the free energy and constructed the non-equilibrium thermodynamics for the ecosystems. We studied several typical and important ecological systems: the predation, competition, mutualism and a realistic lynx-snowshoe hare model. Single attractor, multiple attractors and limit cycle attractors emerge from these studies. We studied the stability and robustness of the ecosystems against the perturbations in parameters and the environmental fluctuations. We also found that the kinetic paths between the multiple attractors do not follow the gradient paths of the underlying landscape and are irreversible because of the non-zero flux. This theory provides a novel way for exploring the global stability, function and the robustness of ecosystems.
Topics in electromagnetic, acoustic, and potential scattering theory
Nuntaplook, Umaporn
With recent renewed interest in the classical topics of both acoustic and electromagnetic aspects for nano-technology, transformation optics, fiber optics, metamaterials with negative refractive indices, cloaking and invisibility, the topic of time-independent scattering theory in quantum mechanics is becoming a useful field to re-examine in the above contexts. One of the key areas of electromagnetic theory scattering of plane electromagnetic waves --- is based on the properties of the refractive indices in the various media. It transpires that the refractive index of a medium and the potential in quantum scattering theory are intimately related. In many cases, understanding such scattering in radially symmetric media is sufficient to gain insight into scattering in more complex media. Meeting the challenge of variable refractive indices and possibly complicated boundary conditions therefore requires accurate and efficient numerical methods, and where possible, analytic solutions to the radial equations from the governing scalar and vector wave equations (in acoustics and electromagnetic theory, respectively). Until relatively recently, researchers assumed a constant refractive index throughout the medium of interest. However, the most interesting and increasingly useful cases are those with non-constant refractive index profiles. In the majority of this dissertation the focus is on media with piecewise constant refractive indices in radially symmetric media. The method discussed is based on the solution of Maxwell's equations for scattering of plane electromagnetic waves from a dielectric (or "transparent") sphere in terms of the related Helmholtz equation. The main body of the dissertation (Chapters 2 and 3) is concerned with scattering from (i) a uniform spherical inhomogeneity embedded in an external medium with different properties, and (ii) a piecewise-uniform central inhomogeneity in the external medium. The latter results contain a natural generalization of
Effective Potential Theory for Diffusion in Binary Ionic Mixtures
Shaffer, Nathaniel R; Daligault, Jérôme
2016-01-01
Self-diffusion and interdiffusion coefficients of binary ionic mixtures are evaluated using the Effective Potential Theory (EPT), and the predictions are compared with the results of molecular dynamics simulations. We find that EPT agrees with molecular dynamics from weak coupling well into the strong coupling regime, which is a similar range of coupling strengths as previously observed in comparisons with the one-component plasma. Within this range, typical relative errors of approximately 20% and worst-case relative errors of approximately 40% are observed. We also examine the Darken model, which approximates the interdiffusion coefficients based on the self-diffusion coefficients.
Perturbative anti-brane potentials in heterotic M-theory
Energy Technology Data Exchange (ETDEWEB)
Gray, James [Institut d' Astrophysique de Paris and APC, Universite de Paris 7, 98 bis, Bd. Arago 75014, Paris (France); Lukas, Andre [Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Ovrut, Burt [Department of Physics, University of Pennsylvania, Philadelphia, PA 19104-6395 (United States)
2007-01-15
We derive the perturbative four-dimensional effective theory describing heterotic M theory with branes and anti-branes in the bulk space. The back-reaction of both the branes and anti-branes is explicitly included. To first order in the heterotic {epsilon}{sub S} expansion, we find that the forces on branes and anti-branes vanish and that the KKLT procedure of simply adding to the supersymmetric theory the probe approximation to the energy density of the anti-brane reproduces the correct potential. However, there are additional non-supersymmetric corrections to the gauge-kinetic functions and matter terms. The new correction to the gauge kinetic functions is important in a discussion of moduli stabilization. At second order in the {epsilon}{sub S} expansion, we find that the forces on the branes and anti-branes become non-vanishing. These forces are not precisely in the naive form that one may have anticipated and, being second order in the small parameter {epsilon}{sub S}, they are relatively weak. This suggests that moduli stabilization in heterotic models with anti-branes is achievable. (authors)
Potential theory of adsorption for associating mixtures: possibilities and limitations
DEFF Research Database (Denmark)
Bjørner, Martin Gamel; Shapiro, Alexander; Kontogeorgis, Georgios
2013-01-01
The applicability of the Multicomponent Potential Theory of Adsorption (MPTA) for prediction of the adsorption equilibrium of several associating binary mixtures on different industrial adsorbents is investigated. In the MPTA the adsorbates are considered to be distributed fluids subject...... to describe the solid-fluid interactions. The potential is extended to include adsorbate-absorbent specific capacities rather than an adsorbent specific capacity. Correlations of pure component isotherms are generally excellent with individual capacities, although adsorption on silicas at different...... temperatures still poses a challenge. The quality of the correlations is usually independent on the applied EoS. Predictions for binary mixtures indicate that the MPTA+SRK is superior when adsorption occurs on non-polar or slightly polar adsorbents, while MPTA+CPA performs better for polar adsorbents, or when...
The theory of Langmuir probes in strong electrostatic potential structures
Borovsky, J. E.
1986-01-01
The operation of collecting and emitting Langmuir probes and double probes within time-stationary strong electrostatic potential structures is analyzed. The cross sections of spherical and cylindrical probes to charged particles within the structures are presented and used to obtain the current-voltage characteristics of idealized probes. The acquisition of plasma parameters from these characteristics is outlined, and the operation of idealized floating double-probe systems is analyzed. Probe surface effects are added to the idealized theory, and some surface effects pertinent to spacecraft probes are quantified. Magnetic field effects on idealized probes are examined, and the time required for floating probes to change their potentials by collecting charge and by emitting photoelectrons is discussed. Calculations on the space-charge effects of probe-perturbed beams and on the space-charge limiting of electron emission are given in an appendix.
Bourdieu's theory of practice and its potential in nursing research.
Rhynas, Sarah J
2005-04-01
This paper seeks to consider the utility of Bourdieu's "Theory of Practice" in nursing, and considers specifically its use as a framework for research exploring nurses' conceptualizations of illness and the patients in their care. Bourdieu's work uses the concepts of field, capital and habitus to explain interactions within the social world. This paper describes these concepts and their relationship with nursing is discussed using dementia care as an example. The work of French scholar Pierre Bourdieu has contributed to debates throughout the social sciences, but has had relatively little attention in the nursing literature. Pierre Bourdieu's work developed against a backdrop of change in the academic world. The emergence of the social sciences and the debate around objective and subjective styles of research were influential in the development of his "Theory of Practice". The importance of the conceptualization process is discussed, and the considerable potential influence of conceptualization on patient care is highlighted. Reflexivity is a cornerstone of Bourdieu's work, and is an important feature of nursing research. Examples of health care research using his work as a framework are discussed, and some of the challenges of the approach are outlined. The use of Bourdieu's "Theory of Practice" as a research framework could allow nurse researchers to explore the interactions of nurses with the structures, agents and symbols of illness within the field of care. This work could enhance understanding of how nurses view and react to patients in their care, and promote the development of practice innovations and policy change. The theory may, therefore, have much to offer future nursing research.
Vector potentials in gauge theories in flat spacetime
Wong, C W
2015-01-01
A recent suggestion that vector potentials in electrodynamics (ED) are nontensorial objects under 4D frame rotations is found to be both unnecessary and confusing. As traditionally used in ED, a vector potential $A$ always transforms homogeneously under 4D rotations in spacetime, but if the gauge is changed by the rotation, one can restore the gauge back to the original gauge by adding an inhomogeneous term. It is then "not a 4-vector", but two: one for rotation and one for translation. For such a gauge, it is much more important to preserve {\\it explicit} homogeneous Lorentz covariance by simply skipping the troublesome gauge-restoration step. A gauge-independent separation of $A$ into a dynamical term and a non-dynamical term in Abelian gauge theories is re-defined more generally as the terms caused by the presence and absence respectively of the 4-current term in the inhomogeneous Maxwell equations for $A$. Such a separation {\\it cannot} in general be extended to non-Abelian theories where $A$ satisfies no...
Estimations of expectedness and potential surprise in possibility theory
Prade, Henri; Yager, Ronald R.
1992-01-01
This note investigates how various ideas of 'expectedness' can be captured in the framework of possibility theory. Particularly, we are interested in trying to introduce estimates of the kind of lack of surprise expressed by people when saying 'I would not be surprised that...' before an event takes place, or by saying 'I knew it' after its realization. In possibility theory, a possibility distribution is supposed to model the relative levels of mutually exclusive alternatives in a set, or equivalently, the alternatives are assumed to be rank-ordered according to their level of possibility to take place. Four basic set-functions associated with a possibility distribution, including standard possibility and necessity measures, are discussed from the point of view of what they estimate when applied to potential events. Extensions of these estimates based on the notions of Q-projection or OWA operators are proposed when only significant parts of the possibility distribution are retained in the evaluation. The case of partially-known possibility distributions is also considered. Some potential applications are outlined.
Sahni, Viraht; Qian, Zhixin
2007-03-01
In previous work, it has been shown that for spherically symmetric or sphericalized systems, the asymptotic near nucleus structure of the electron-interaction potential is vee(r) = vee(0) + βr + γr^2. In this paper we prove via time-independent Quantal Density Functional Theory[1](Q-DFT): (i) correlations due to the Pauli exclusion principle and Coulomb repulsion do not contribute to the linear structure;(ii) these Pauli and Coulomb correlations contribute quadratically; (iii) the linear structure is solely due to Correlation-Kinetic effects, the coefficient β being determined analytically. By application of adiabatic coupling constant perturbation theory via QDFT we further prove: (iv) the Kohn-Sham (KS-DFT) `exchange' potential vx(r) approaches the nucleus linearly, this structure being due solely to lowest- order Correlation-Kinetic effects: (v) the KS-DFT `correlation' potential vc(r) also approaches the nucleus linearly, being solely due to higher-order Correlation-Kinetic contributions. The above conclusions are equally valid for system of arbitrary symmetry, provided spherical averages of the properties are employed. 1 Quantal Density Functional Theory, V. Sahni (Springer-Verlag 2004)
The Curriculum Potential of Darwin's Theory of Evolution.
Tamir, Pinchas
1993-01-01
Two dilemmas occur in studying Darwin's Theory of Evolution. One, concerning pedagogy, is solvable by offering theory basics in middle school and in-depth study in high school. Another, concerning faith, is extremely sensitive. The paper discusses successful approaches, noting the place of Darwin's theory in all-elective high school biology. (SM)
Poincaré's Variational Problem in Potential Theory
Khavinson, Dmitry; Putinar, Mihai; Shapiro, Harold S.
2007-07-01
One of the earliest attempts to rigorously prove the solvability of Dirichlet’s boundary value problem was based on seeking the solution in the form of a “potential of double layer”, and this leads to an integral equation whose kernel is (in general) both singular and non-symmetric. C. Neumann succeeded with this approach for smoothly bounded convex domains, and H. Poincaré, by a tremendous tour de force, showed how to push through the analysis for domains with sufficiently smooth boundaries but no hypothesis of convexity. In this work he was (according to his own account) guided by consideration of a variational problem involving the partition of energy of an electrostatic field induced by charges placed on the boundary of a domain, more precisely the charge distributions which render stationary the energy of the field inside the domain divided by the energy of the field outside the domain. Unfortunately, a rigorous treatment of this problem was not possible with the tools available at that time (as Poincaré was well aware). So far as we know, the only one to propose a rigorous treatment of Poincaré’s problem was T. Carleman (in the two-dimensional case) in his doctoral dissertation. Thanks to later developments (especially concerning Sobolev spaces, and spectral theory of operators on Hilbert space) we can now give a complete, general and rigorous account of Poincaré’s variational problem, and that is the main object of the present paper. As a by-product, we refine some technical aspects in the theory of symmetrizable operators and prove in any number of dimensions the basic properties of the analogue of the planar Bergman-Schiffer singular integral equation. We interpret Poincaré’s variational principle as a non-selfadjoint eigenvalue problem for the angle operator between two distinct pairs of subspaces of potentials. We also prove a series of novel spectral analysis facts (some of them conjectured by Poincaré) related to the Poincar
Mode Decomposition of a Supersonic Jet Using Momentum Potential Theory
Sasidharan Nair, Unnikrishnan; Gaitonde, Datta
2015-11-01
We adopt Doak's momentum potential theory to investigate the acoustic, thermal and hydrodynamic modes in a Mach 1.3 cold jet. A statistically stationary LES of the jet is subjected to Helmholtz decomposition to yield the solenoidal and irrotational components of the momentum density. The irrotational component is further decomposed into acoustic and thermal modes. The data confirms the quantitative radial decay rates of the hydrodynamic and acoustic fields as well as the experimentally observed universal spectrum specific to the downstream and sideline directions. The irrotational field in the core exhibits an axially coherent jittering wave-packet with an internal frequency of St 0.4, yielding the highly directional downstream radiation at St 0.2. The intrusion of rolled up vortices from the expanding shear layer into the core induces a coherent perturbation zone in the irrotational component, which persists and propagates into the nearfield resulting in intermittent noise events. The interaction of the fluctuating solenoidal field with the fluctuating Lamb vector in the core of the jet is found to be the most prominent source, while its interaction with the fluctuating entropy gradient is found to be a sink in this cold jet.
Inner Structure of Statistical Gauge Potential in Chern-Simons-Ginzburg-Landau Theory
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
Based on the decomposition theory of the U(1) gauge potential, the inner structure of the statistical gauge potential in the Chern-Simons-Ginzburg-Landau (CSGL) theory is studied. We give a new creation mechanism of the statistical gauge potential. Furthermore, making use of the φ-mapping topological current theory, we obtain the precise topological expression of the statistical magnetic field, which takes the topological information of the vortices.
A Thermal Field Theory with Non-uniform Chemical Potential
Arai, Masato; Sasaki, Shin
2013-01-01
We investigate thermal one-loop effective potentials in multi-flavor models with chemical potentials. We study four-dimensional models in which each flavor have different global U(1) charges. Accordingly they have different chemical potentials. We call these "non-uniform chemical potentials," which are organized into a diagonal matrix \\mu. The mass matrix at a vacuum does not commute with \\mu. We find that the effective potential is divided into three parts. The first part is the Coleman-Weinberg potential. The UV divergence resides only in this part. The second is the correction to the Coleman-Weinberg potential that is independent of temperature, and the third depends on both temperature and \\mu. Our result is a generalization of the thermal potentials in previous studies for models with single and multi-flavors with (uniform) chemical potentials and reproduces all the known results correctly.
Infinitesimal generators and quasi-units in potential theory.
Arsove, M; Leutwiler, H
1975-07-01
The underlying structure is taken as a strongly superharmonic cone [unk], defined as a partially ordered abelian semigroup with identity 0 which admits a multiplication by nonnegative scalars and satisfies two fundamental axioms of a potentialtheoretic character. In terms of a fixed nonzero element e there is introduced on [unk] a one-parameter family of nonlinear operators S(lambda) (lambda >/= 0) closely connected with the abstract theory of quasibounded and singular elements. The semigroup {S(lambda)} admits an infinitesimal generator A, and the elements invariant under A, called quasi-units, generalize the Yosida quasi-units in the theory of Riesz spaces. Quasi-units in [unk] are studied, both from a potentialtheoretic and a function-alanalytic viewpoint, culminating in a spectral representation theorem for quasi-bounded elements which extends the classical Freudenthal spectral theorem of Riesz space theory.
Patching the Exchange-Correlation Potential in Density Functional Theory.
Huang, Chen
2016-05-10
A method for directly patching exchange-correlation (XC) potentials in materials is derived. The electron density of a system is partitioned into subsystem densities by dividing its Kohn-Sham (KS) potential among the subsystems. Inside each subsystem, its projected KS potential is required to become the total system's KS potential. This requirement, together with the nearsightedness principle of electronic matters, ensures that the electronic structures inside subsystems can be good approximations to the total system's electronic structure. The nearsightedness principle also ensures that subsystem densities could be well localized in their regions, making it possible to use high-level methods to invert the XC potentials for subsystem densities. Two XC patching methods are developed. In the local XC patching method, the total system's XC potential is improved in the cluster region. We show that the coupling between a cluster and its environment is important for achieving a fast convergence of the electronic structure in the cluster region. In the global XC patching method, we discuss how to patch the subsystem XC potentials to construct the XC potential in the total system, aiming to scale up high-level quantum mechanics simulations of materials. Proof-of-principle examples are given.
Theory and Methodology of Appraisal of Enterprise Economic Potential
Directory of Open Access Journals (Sweden)
Nadvornaya Gyul’nara Gazanfarovna
2017-01-01
Full Text Available The functioning of an enterprise is based on building and use of its economic potential. The company’s performance depends on the quality of these processes. Modern conditions of highly dynamic operating environment put demands on the search and application of new approaches to the building and use of economic potential of enterprises which provide opportunities for identifying and using internal economic growth reserves. An important economic parameter of the enterprise operation is the appraisal of economic potential formation and use effectiveness. Lack of economic control mechanisms scientifically proved for market management conditions and appraisal of the enterprises’ state in terms of efficiency of economic resources formation and use diminish investment activity and the competitiveness of economic entities. This necessitates the search for new methods and models for appraising economic potential, which defines economic independence as a system of management impacts on the economic state and development of an enterprise. All these factors indicate the relevance of further studies of enterprise economic potential, the mechanism of its functioning, the development of a system of management decisions aimed at effective formation and use of the enterprise economic potential. The aim of the study is to evaluate theoretical and methodological approaches to the enterprise economic potential and form methodological principles for its appraisal and effective functioning. During the study, the authors carried out a retrospective evaluation and systematization of theoretical and methodological approaches to the appraisal of enterprise economic potential. It has been determined that properties of enterprise economic potential, namely, consistency, which implies the study of interaction and mutual influence of system elements, were understudied. The study presents a methodical approach to appraising enterprise economic potential and its effective
Effective attractive potential between identical dielectric molecules via Lifshitz theory
Institute of Scientific and Technical Information of China (English)
CHEN; Laiwen
2001-01-01
［1］London, F., The general theory of molecular forces, Trans. Faraday Soc., 937, 33: 8.［2］Lifshitz, E. M., The theory of molecular attractive forces between solids, Sov. Phys., JETP, 956, 2: 73, and references therein.［3］Dzyaloshinski, I. E., Lifshitz, E. M., Pitaeveskiǐ, L. P., The general theory of van der Waals forces, Adv. Phys., 96, 0: 65.［4］Linder, B., Reaction-field techniques and their applications to intermolecular forces, Adv. Chem. Phys., 967, 2: 225.［5］McLachlan, A. D., Retarded dispersion forces in dielectrics at finite temperature, Proc. Roy. Soc., 963, A274: 80.［6］Israelachvili, J. N., The calculations of van der Waals dispersion forces between macroscopic bodies, Proc. Roy. Soc. (London), 972, A33: 38.［7］Nir, S., van der Waals interactions between surfaces of biological interest, Prog. Surf. Sci., 976, 8: .［8］van Oss, C. J., Interfacial Lifshitz-van der Waals and polar interactions in macroscopic systems, Chem. Rev., 988, 88: 927.［9］Rytov, S. M., Kravtsov, Y. A., Tatarskii, V. I., Principles of Statistical Radiophysics 3: Elements of Random Fields, Berlin: Springer-Verlag, 989, 09—73.［10］Rytov, S. M., Correlation theory of electric fluctuations and thermal radiation, in Advances in Physical Sciences, State Publishing House for Theoretical and Technical Literature (eds. Blokhintsev D. I., Veksler, V. I, Konobeevskii, S. T. et al.), Moscow, 95Vol. 63, Part II: 89—92.［11］Israelachvili, J. N., Van der Waals forces in biological systems, Q. Rev. Biophys., 974, 6: 34.［12］Lifshitz, E. M., Pitaeveskiǐ, L. P., Statistical Physics: part 2——Theory of the Condensed State. 2nd ed. Oxford: Pergamon Press, 980. 34—359.［13］Lifshitz, E. M., Theory of molecular attraction force between condensed bodies, in Perspectives in Theoretical Physics: the Collected Papers of E. M., (ed. Pitaeveskiǐ L P), Lifshitz-Oxford: Pergamon Press, 9933—37.［14］Nir, S., Adams, S., Rein, R., Determination of dielectric
Depletion potential in hard-sphere mixtures: theory and applications
Roth; Evans; Dietrich
2000-10-01
We present a versatile density functional approach (DFT) for calculating the depletion potential in general fluid mixtures. For the standard situation of a single big particle immersed in a sea of small particles near a fixed object, the system is regarded as an inhomogeneous binary mixture of big and small particles in the external field of the fixed object, and the limit of vanishing density of the big species, rho(b)-->0, is taken explicitly. In this limit our approach requires only the equilibrium density profile of a one-component fluid of small particles in the field of the fixed object, and a knowledge of the density independent weight functions which characterize the mixture functional. Thus, for a big particle near a planar wall or a cylinder or another fixed big particle, the relevant density profiles are functions of a single variable, which avoids the numerical complications inherent in brute force DFT. We implement our approach for additive hard-sphere mixtures, comparing our results with computer simulations for the depletion potential of a big sphere of radius R(b) in a sea of small spheres of radius R(s) near (i) a planar hard wall, and (ii) another big sphere. In both cases our results are accurate for size ratios s=R(s)/R(b) as small as 0.1, and for packing fractions of the small spheres eta(s) as large as 0.3; these are the most extreme situations for which reliable simulation data are currently available. Our approach satisfies several consistency requirements, and the resulting depletion potentials incorporate the correct damped oscillatory decay at large separations of the big particles or of the big particle and the wall. By investigating the depletion potential for high size asymmetries we assess the regime of validity of the well-known Derjaguin approximation for hard-sphere mixtures and argue that this fails, even for very small size ratios s, for all but the smallest values of eta(s) where the depletion potential reduces to the Asakura
Probability theory versus simulation of petroleum potential in play analysis
Crovelli, R.A.
1987-01-01
An analytic probabilistic methodology for resource appraisal of undiscovered oil and gas resources in play analysis is presented. This play-analysis methodology is a geostochastic system for petroleum resource appraisal in explored as well as frontier areas. An objective was to replace an existing Monte Carlo simulation method in order to increase the efficiency of the appraisal process. Underlying the two methods is a single geologic model which considers both the uncertainty of the presence of the assessed hydrocarbon and its amount if present. The results of the model are resource estimates of crude oil, nonassociated gas, dissolved gas, and gas for a geologic play in terms of probability distributions. The analytic method is based upon conditional probability theory and a closed form solution of all means and standard deviations, along with the probabilities of occurrence. ?? 1987 J.C. Baltzer A.G., Scientific Publishing Company.
Wang, Qi; E, Weinan; Liu, Chun; Zhang, Pingwen
2002-05-01
The Doi kinetic theory for flows of homogeneous, rodlike liquid crystalline polymers (LCPs) is extended to model flows of nonhomogeneous, rodlike LCPs through a nonlocal (long-range) intermolecular potential. The theory features (i) a nonlocal, anisotropic, effective intermolecular potential in an integral form that is consistent with the chemical potential, (ii) short-range elasticity as well as long-range isotropic and anisotropic elasticity, (iii) a closed-form stress expression accounting for the nonlocal molecular interaction, and (iv) an extra elastic body force exclusively associated with the integral form of the intermolecular potential. With the effective intermolecular potential, the theory is proven to be well posed in that it warrants a positive entropy production and thereby the second law of thermodynamics. Approximate theories are obtained by gradient expansions of the number density function in the free energy density.
Potential Performance Theory (PPT): A General Theory of Task Performance Applied to Morality
Trafimow, David; Rice, Stephen
2008-01-01
People can use a variety of different strategies to perform tasks and these strategies all have two characteristics in common. First, they can be evaluated in comparison with either an absolute or a relative standard. Second, they can be used at varying levels of consistency. In the present article, the authors develop a general theory of task…
An effective theory for QCD with an axial chemical potential
Andrianov, Alexander A; Espriu, Domenec; Planells, Xumeu
2013-01-01
We consider the low energy realization of QCD in terms of meson fields when an axial chemical potential is present; a situation that may be relevant in heavy ion collisions. We shall demonstrate that the presence of an axial charge constitutes an explicit source of parity breaking. The eigenstates of strong interactions do not have a definite parity and interactions that would otherwise be forbidden compete with the familiar ones. In this work, we first focus on scalars and pseudoscalars that are described by a generalized linear sigma model; and next, we give some hints on how the Vector Meson Dominance model describes the vector sector.
Problems in classical potential theory with applications to mathematical physics
Lundberg, Erik
In this thesis we are interested in some problems regarding harmonic functions. The topics are divided into three chapters. Chapter 2 concerns singularities developed by solutions of the Cauchy problem for a holomorphic elliptic equation, especially Laplace's equation. The principal motivation is to locate the singularities of the Schwarz potential. The results have direct applications to Laplacian growth (or the Hele-Shaw problem). Chapter 3 concerns the Dirichlet problem when the boundary is an algebraic set and the data is a polynomial or a real-analytic function. We pursue some questions related to the Khavinson-Shapiro conjecture. A main topic of interest is analytic continuability of the solution outside its natural domain. Chapter 4 concerns certain complex-valued harmonic functions and their zeros. The special cases we consider apply directly in astrophysics to the study of multiple-image gravitational lenses.
Gama, F S; Nascimento, J R; Petrov, A Yu; da Silva, A J
2015-01-01
We explicitly calculate the one-loop effective potential for the supersymmetric topologically massive gauge theory in four dimensions, where the chiral scalar superfield is directly coupled to the field strength for the gauge spinor superfield.
Inversion of potential field data : theory and applications in gravimetry and magnetometry
Mirzaei, M.
1996-01-01
This thesis deals with the inversion of potential field data. Theoretical aspects and applications in gravimetry and magnetometry are treated. Inverse theory provides mathematical techniques to obtain useful infonnation about the earth based on measurements (data). These techniques estimate
Inversion of potential field data : theory and applications in gravimetry and magnetometry
Mirzaei, M.
1996-01-01
This thesis deals with the inversion of potential field data. Theoretical aspects and applications in gravimetry and magnetometry are treated. Inverse theory provides mathematical techniques to obtain useful infonnation about the earth based on measurements (data). These techniques estimate numerica
Spectral analysis of polynomial potentials and its relation with ABJ/M-type theories
Energy Technology Data Exchange (ETDEWEB)
Garcia del Moral, M.P., E-mail: garciamormaria@uniovi.e [Departamento de Fisica, Universidad de Oviedo, Calvo Sotelo 18, 33007 Oviedo (Spain); Martin, I., E-mail: isbeliam@usb.v [Departamento de Fisica, Universidad Simon Bolivar, Apartado 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of); Navarro, L., E-mail: lnavarro@ma.usb.v [Departamento de Matematicas, Universidad Simon Bolivar, Apartado 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of); Perez, A.J., E-mail: ajperez@ma.usb.v [Departamento de Matematicas, Universidad Simon Bolivar, Apartado 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of); Restuccia, A., E-mail: arestu@usb.v [Departamento de Fisica, Universidad Simon Bolivar, Apartado 89000, Caracas 1080-A (Venezuela, Bolivarian Republic of)
2010-11-01
We obtain a general class of polynomial potentials for which the Schroedinger operator has a discrete spectrum. This class includes all the scalar potentials in membrane, 5-brane, p-branes, multiple M2 branes, BLG and ABJM theories. We provide a proof of the discreteness of the spectrum of the associated Schroedinger operators. This is the first step in order to analyze BLG and ABJM supersymmetric theories from a non-perturbative point of view.
On the theory of interaction potentials in ionic crystals
Acevedo, Roberto; Soto-Bubert, Andrés
2008-11-01
The aim of this research work is to report a more comprehensive and detailed study of both, the intermolecular and intramolecular potencial functions with reference to the various families of the elpasolite type crystals. The cohesive energy has been thought as a sum of three terms; the long range (Coulombic), the Born and the van der Waals contributions to the total energy. The Born-Mayer-Buckingham potential1 has been employed in all of these current studies and a number of convergence tests are analyzed from a formal viewpoint. Our work has been focused to the following systems: Cs2NaLnF6, Cs2NaLnCl6, Cs2NaLnBr6, Rb2NaLnF6 and Cs2KLnF6 in the Fm3m space group. A substantial amount of theoretical models have been analyzed and several computing simulations have been undertaken to estimate the reticular energies and the corresponding heat of formation for these crystals. To achieve this goal, a Born-Haber thermodynamic cycle has been introduced in our model. It is shown that the calculated energy values are reasonable and follow the expected trend along the lanthanide series in the periodic chart. We also discuss the advantages and disadvantages of the current and proposed generalized model. The most likely sources for improvement are discussed in detail. New convergence tests as well as some master equations have been introduced to study the various diagonal contributions to the total energy.
On the theory of interaction potentials in ionic crystals
Energy Technology Data Exchange (ETDEWEB)
Acevedo, Roberto [Departamento de Ciencia de los Materiales, Facultad de Ciencias Fisicas y Matematicas, Beauchef 850, Santiago (Chile); Soto-Bubert, Andres [Instituto de Ciencias Basicas, Facultad de Ingenieria, Universidad Diego Portales, Avenida Ejercito 441, Santiago (Chile)], E-mail: roberto.acevedo@umayor.cl
2008-11-01
The aim of this research work is to report a more comprehensive and detailed study of both, the intermolecular and intramolecular potencial functions with reference to the various families of the elpasolite type crystals. The cohesive energy has been thought as a sum of three terms; the long range (Coulombic), the Born and the van der Waals contributions to the total energy. The Born-Mayer-Buckingham potential{sup 1} has been employed in all of these current studies and a number of convergence tests are analyzed from a formal viewpoint. Our work has been focused to the following systems: Cs{sub 2}NaLnF{sub 6}, Cs{sub 2}NaLnCl{sub 6}, Cs{sub 2}NaLnBr{sub 6}, Rb{sub 2}NaLnF{sub 6} and Cs{sub 2}KLnF{sub 6} in the Fm3m space group. A substantial amount of theoretical models have been analyzed and several computing simulations have been undertaken to estimate the reticular energies and the corresponding heat of formation for these crystals. To achieve this goal, a Born-Haber thermodynamic cycle has been introduced in our model. It is shown that the calculated energy values are reasonable and follow the expected trend along the lanthanide series in the periodic chart. We also discuss the advantages and disadvantages of the current and proposed generalized model. The most likely sources for improvement are discussed in detail. New convergence tests as well as some master equations have been introduced to study the various diagonal contributions to the total energy.
Moment theory and some inverse problems in potential theory and heat conduction
Ang, Dang Dinh; Le, Vy Khoi; Trong, Dang Duc
2002-01-01
Moment Theory is not a new subject; however, in classical treatments, the ill-posedness of the problem is not taken into account - hence this monograph. Assuming a "true" solution to be uniquely determined by a sequence of moments (given as integrals) of which only finitely many are inaccurately given, the authors describe and analyze several regularization methods and derive stability estimates. Mathematically, the task often consists in the reconstruction of an analytic or harmonic function, as is natural from concrete applications discussed (e.g. inverse heat conduction problems, Cauchy's problem for the Laplace equation, gravimetry). The book can be used in a graduate or upper undergraduate course in Inverse Problems, or as supplementary reading for a course on Applied Partial Differential Equations.
A note on Kahler potential of charged matter in F-theory
Energy Technology Data Exchange (ETDEWEB)
Kawano, Teruhiko, E-mail: kawano@hep-th.phys.s.u-tokyo.ac.jp [Department of Physics, University of Tokyo, Tokyo 113-0033 (Japan); Tsuchiya, Yoichi [Department of Physics, University of Tokyo, Tokyo 113-0033 (Japan); Watari, Taizan [Institute for the Physics and Mathematics of the Universe, University of Tokyo, Kashiwa-no-ha 5-1-5, 277-8583 (Japan)
2012-03-19
We study the Kahler potential of charged matter fields, whose profiles have a peak on their matter curve - on an 'intersection' of 7-branes, in an F-theory compactification. It is shown that the Kahler potential is exactly given by the integral over the matter curve, but not by the integral over the whole GUT surface of 7-branes.
Amadei, A; Apol, MEF; DiNola, A; Berendsen, HJC
1996-01-01
A new theory is presented for calculating the Helmholtz free energy based on the potential energy distribution function. The usual expressions of free energy, internal energy and entropy involving the partition function are rephrased in terms of the potential energy distribution function, which must
Amadei, A; Apol, MEF; DiNola, A; Berendsen, HJC
1996-01-01
A new theory is presented for calculating the Helmholtz free energy based on the potential energy distribution function. The usual expressions of free energy, internal energy and entropy involving the partition function are rephrased in terms of the potential energy distribution function, which must
Directory of Open Access Journals (Sweden)
Madhuparna Karmakar
2011-01-01
Full Text Available The electrostatic potential and the associated charge distribution in the vortices of high- superconductors involving mixed symmetry state of the order parameters have been studied. The work is carried out in the framework of an extended Ginzburg-Landau (GL theory involving the Gorter-Casimir two-fluid model and Bardeen's extension of GL theory applied to the high- superconductors. The properties are calculated using the material parameters relevant for the high- cuprate YBCO.
Directory of Open Access Journals (Sweden)
Soren Ventegodt
2003-01-01
Full Text Available This review presents one of the eight theories of the quality of life (QOL used for making the SEQOL (self-evaluation of quality of life questionnaire or the quality of life as realizing life potential. This theory is strongly inspired by Maslow and the review furthermore serves as an example on how to fulfill the demand for an overall theory of life (or philosophy of life, which we believe is necessary for global and generic quality-of-life research.Whereas traditional medical science has often been inspired by mechanical models in its attempts to understand human beings, this theory takes an explicitly biological starting point. The purpose is to take a close view of life as a unique entity, which mechanical models are unable to do. This means that things considered to be beyond the individual's purely biological nature, notably the quality of life, meaning in life, and aspirations in life, are included under this wider, biological treatise. Our interpretation of the nature of all living matter is intended as an alternative to medical mechanism, which dates back to the beginning of the 20th century. New ideas such as the notions of the human being as nestled in an evolutionary and ecological context, the spontaneous tendency of self-organizing systems for realization and concord, and the central role of consciousness in interpreting, planning, and expressing human reality are unavoidable today in attempts to scientifically understand all living matter, including human life.
Massive gravitational waves from f(R) theories of gravity: Potential detection with LISA
Energy Technology Data Exchange (ETDEWEB)
Capozziello, Salvatore [Dipartimento di Scienze Fisiche, Universita di Napoli ' Federico II' , INFN Sezione di Napoli, Complesso Universitario di Monte S. Angelo, Edificio G, via Cintia, I-80126 Napoli (Italy)], E-mail: capozzie@na.infn.it; Corda, Christian [Associazione Galileo Galilei, via Pier Cironi 16, 59100 Prato (Italy); Centro di Scienze Naturali, via di Galceti 74, 59100 Prato (Italy)], E-mail: christian.corda@ego-gw.it; De Laurentis, Maria Felicia [Relativity and Gravitation Group, Politecnico di Torino, Corso Duca degli Abruzzi 24, I-10129 Torino (Italy)], E-mail: mariafelicia.delaurentist@polito.it
2008-11-27
This Letter is a generalization of previous results on gravitational waves (GWs) from f(R) theories of gravity. In some previous papers, particular f(R) theories have been linearized for the first time in the literature. Now, the process is further generalized, showing that every f(R) theory can be linearized producting a third massive mode of gravitational radiation. In this framework, previous results are particular cases of the more general problem that is discussed in this Letter. The potential detectability of such massive GWs with LISA is also discussed with the auxilium of longitudinal response functions.
Massive gravitational waves from f(R) theories of gravity: Potential detection with LISA
Capozziello, Salvatore; De Laurentis, Maria Felicia
2008-01-01
This letter is a generalization of previous results on gravitational waves (GWs) from f(R) theories of gravity. In some previous papers, particular f(R) theories have been linearized for the first time in the literature. Now, the process is further generalized, showing that every f(R) theory can be linearized producting a third massive mode of gravitational radiation. In this framework, previous results are particular cases of the more general problem that is discussed in this letter. The potential detectability of such massive GWs with LISA is also discussed with the auxilium of longitudinal response functions.
Robust global identifiability theory using potentials--Application to compartmental models.
Wongvanich, N; Hann, C E; Sirisena, H R
2015-04-01
This paper presents a global practical identifiability theory for analyzing and identifying linear and nonlinear compartmental models. The compartmental system is prolonged onto the potential jet space to formulate a set of input-output equations that are integrals in terms of the measured data, which allows for robust identification of parameters without requiring any simulation of the model differential equations. Two classes of linear and non-linear compartmental models are considered. The theory is first applied to analyze the linear nitrous oxide (N2O) uptake model. The fitting accuracy of the identified models from differential jet space and potential jet space identifiability theories is compared with a realistic noise level of 3% which is derived from sensor noise data in the literature. The potential jet space approach gave a match that was well within the coefficient of variation. The differential jet space formulation was unstable and not suitable for parameter identification. The proposed theory is then applied to a nonlinear immunological model for mastitis in cows. In addition, the model formulation is extended to include an iterative method which allows initial conditions to be accurately identified. With up to 10% noise, the potential jet space theory predicts the normalized population concentration infected with pathogens, to within 9% of the true curve. Copyright © 2015 Elsevier Inc. All rights reserved.
Cosmology with polynomial potentials of the fourth degree in Einstein-Cartan theory
Energy Technology Data Exchange (ETDEWEB)
Galiakhmetov, A M, E-mail: agal17@mail.ru [Department of Physics, Donetsk National Technical University, Kirova street 51, 84646 Gorlovka (Ukraine)
2011-05-21
Exact general solutions to the Einstein-Cartan equations are obtained for spatially flat isotropic and homogeneous cosmologies with a nonminimally coupled scalar field that has polynomial potentials of the fourth degree V({Phi}). An analogous problem is investigated in Einstein's theory of general relativity. Some effects of torsion are elucidated. A comparative analysis of the cosmological models with and without V({Phi}) is carried out in the context of the Einstein-Cartan theory. The role of the scalar field potential in the dynamics of models is discussed.
The effective potential of the N = 0* Yang-Mills theory
Energy Technology Data Exchange (ETDEWEB)
Patir, Assaf E-mail: assaf.patir@weizmann.ac.il; Reichmann, Dori
2004-05-01
We study the N = 4 SYM theory with SU(N) gauge group in the large N limit, deformed by giving equal mass to the four adjoint fermions. With this modification, a potential is dynamically generated for the six scalars in the theory, {phi}{sup i}. We show that the resulting theory is stable (perturbatively in the 't Hooft coupling), and that there are some indications that <{phi} > = 0 is the vacuum of the theory. Using the AdS/CFT correspondence, we compare the results to the corresponding supergravity computation, i.e. brane probing a deformed AdS{sub 5} x S{sup 5} background, and we find qualitative agreement. (author)
A new chiral two-matrix theory for Dirac spectra with imaginary chemical potential
Energy Technology Data Exchange (ETDEWEB)
Akemann, G. [Department of Mathematical Sciences, Brunel University West London, Uxbridge UB8 3PH (United Kingdom); Damgaard, P.H. [Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen O (Denmark)]. E-mail: phdamg@nbi.dk; Osborn, J.C. [Physics Department and Center for Computational Science, Boston University, Boston, MA 02215 (United States); Splittorff, K. [Niels Bohr Institute, Blegdamsvej 17, DK-2100 Copenhagen O (Denmark)
2007-03-26
We solve a new chiral random two-matrix theory by means of biorthogonal polynomials for any matrix size N. By deriving the relevant kernels we find explicit formulas for all (n,k)-point spectral (mixed or unmixed) correlation functions. In the microscopic limit we find the corresponding scaling functions, and thus derive all spectral correlators in this limit as well. We extend these results to the ordinary (non-chiral) ensembles, and also there provide explicit solutions for any finite size N, and in the microscopic scaling limit. Our results give the general analytical expressions for the microscopic correlation functions of the Dirac operator eigenvalues in theories with imaginary baryon and isospin chemical potential, and can be used to extract the tree-level pion decay constant from lattice gauge theory configurations. We find exact agreement with previous computations based on the low-energy effective field theory in the two special cases where comparisons are possible.
Three loop HTL perturbation theory at finite temperature and chemical potential
Energy Technology Data Exchange (ETDEWEB)
Strickland, Michael [Department of Physics, Kent State University, Kent, OH 44242 (United States); Andersen, Jens O. [Department of Physics, Norwegian University of Science and Technology, N-7491 Trondheim (Norway); Bandyopadhyay, Aritra; Haque, Najmul; Mustafa, Munshi G. [Theory Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Su, Nan [Faculty of Physics, University of Bielefeld, D-33615 Bielefeld (Germany)
2014-11-15
In this proceedings contribution we present a recent three-loop hard-thermal-loop perturbation theory (HTLpt) calculation of the thermodynamic potential for a finite temperature and chemical potential system of quarks and gluons. We compare the resulting pressure, trace anomaly, and diagonal/off-diagonal quark susceptibilities with lattice data. We show that there is good agreement between the three-loop HTLpt analytic result and available lattice data.
Three loop HTL perturbation theory at finite temperature and chemical potential
Strickland, Michael; Bandyopadhyay, Aritra; Haque, Najmul; Mustafa, Munshi G; Su, Nan
2014-01-01
In this proceedings contribution we present a recent three-loop hard-thermal-loop perturbation theory (HTLpt) calculation of the thermodynamic potential for a finite temperature and chemical potential system of quarks and gluons. We compare the resulting pressure, trace anomaly, and diagonal/off-diagonal quark susceptibilities with lattice data. We show that there is good agreement between the three-loop HTLpt analytic result and available lattice data.
The potential of the effective Polyakov line action from the underlying lattice gauge theory
Greensite, Jeff
2012-01-01
I adapt a numerical method, previously applied to investigate the Yang-Mills vacuum wavefunctional, to the problem of extracting the effective Polyakov line action from SU(N) lattice gauge theories, with or without matter fields. The method can be used to find the variation of the effective Polyakov line action along any trajectory in field configuration space; this information is sufficient to determine the potential term in the action, and strongly constrains the possible form of the kinetic term. The technique is illustrated for both pure and gauge-Higgs SU(2) lattice gauge theory at finite temperature. A surprise, in the pure gauge theory, is that the potential of the corresponding Polyakov line action contains a non-analytic (yet center-symmetric) term proportional to |P|^3, where P is the trace of the Polyakov line at a given point, in addition to the expected analytic terms proportional to even powers of P.
Density dependence of microscopic nucleon optical potential in first order Brueckner theory
Saliem, S. M.; Haider, W.
2002-06-01
In the present work we apply the lowest order Brueckner theory of infinite nuclear matter to obtain nucleon-nucleus optical potential for p-40Ca elastic scattering at 200 MeV using Urbana V14 soft core internucleon potential. We have investigated the effect of target density on the calculated nucleon-nucleus optical potential. We find that the calculated optical potentials depend quite sensitively on the density distribution of the target nucleus. The important feature is that the real part of calculated central optical potential for all densities shows a wine-bottle-bottom type behaviour at this energy. We also discuss the effect of our new radial dependent effective mass correction. Finally, we compare the prediction of our calculated nucleon optical potential using V14 with the prediction using older hard core Hamada-Johnston internucleon potential for p-40Ca elastic scattering at 200 MeV.
March, N. H.; Nagy, Á.
A fonnally exact integral equation theory for the exchange-only potential Vx(r) in density functional theory was recently set up by Howard and March [I.A. Howard, N.H. March, J. Chem. Phys. 119 (2003) 5789]. It involved a `closure' function P(r) satisfying the exact sum rule ∫ P(r) dr = 0. The simplest choice P(r) = 0 recovers then the approximation proposed by Della Sala and Görling [F. Della Sala, A. Görling, J. Chem. Phys. 115 (2001) 5718] and by Gritsenko and Baerends [O.V. Gritsenko, E.J. Baerends, Phys. Rev. A 64 (2001) 042506]. Here, refined choices of P(r) are proposed, the most direct being based on the KLI (Krieger-Li-Iafrate) approximation. A further choice given some attention is where P(r) involves frontier orbital properties. In particular, the introduction of the LUMO (lowest unoccupied molecular) orbital, along with the energy separation between HOMO (highest occupied molecular orbital) and LUMO levels, should prove a significant step beyond current approximations to the optimized potential method, all of which involve only single-particle occupied orbitals.
Lepton Flavour Violation via the K\\"ahler Potential in Compactified M-Theory
Ellis, Sebastian A R
2015-01-01
We use lepton-flavour violating (LFV) processes as a probe of higher-order corrections to the K\\"ahler potential in compactified M-theory. We consider a generic K\\"ahler potential with higher-order terms coupling visible sector fields to fields in the hidden sector of the compactified theory. Such terms generally give rise to potentially large flavour-violating effects. Unless there are suppressions, the size of the resulting off-diagonal terms in the K\\"ahler potential may be at odds with experimental results. The rare decay $\\mu \\to e \\gamma$ and $\\mu \\to e$ conversion in nuclei probe the size of the potential flavour non-diagonality of the higher-order terms for realistic spectra in the M-theory compactification. We consider a parameterisation of the higher-order corrections in terms of a small parameter $\\epsilon$. By analysing various textures for the higher-order corrections, we find current bounds on $\\epsilon$ from the LFV processes. The constraint from the neutral kaon mass difference $\\Delta m_K$ is...
Thermodynamics of large N gauge theories with chemical potentials in a 1/ D expansion
Morita, Takeshi
2010-08-01
In order to understand thermodynamical properties of N D-branes with chemical potentials associated with R-symmetry charges, we study a one dimensional large N gauge theory (bosonic BFSS type model) as a first step. This model is obtained through a dimensional reduction of a 1 + D dimensional SU( N) Yang-Mills theory and we use a 1 /D expansion to investigate the phase structure. We find three phases in the μ - T plane. We also show that all the adjoint scalars condense at large D and obtain a mass dynamically. This dynamical mass protects our model from the usual perturbative instability of massless scalars in a non-zero chemical potential. We find that the system is at least meta-stable for arbitrary large values of the chemical potentials in D → ∞ limit. We also explore the existence of similar condensation in higher dimensional gauge theories in a high temperature limit. In 2 and 3 dimensions, the condensation always happens as in one dimensional case. On the other hand, if the dimension is higher than 4, there is a critical chemical potential and the condensation happens only if the chemical potentials are below it.
Study of high-pressure adsorption from supercritical fluids by the potential theory
DEFF Research Database (Denmark)
Monsalvo, Matias Alfonso; Shapiro, Alexander
2009-01-01
The multicomponent potential theory of adsorption (MPTA), which has been previously used to study low-pressure adsorption of subcritical fluids, is extended to adsorption equilibria from supercritical fluids up to high pressures. The MPTA describes an adsorbed phase as an inhomogeneous fluid...... with thermodynamic properties that depend on the distance from the solid surface (or position in the porous space). The description involves the two kinds of interactions present in the adsorbed fluid, i.e. the fluid-fluid and fluid-solid interactions. accounted for by means of an equation of state (Eo......S) and interaction potential functions, respectively. This makes it possible to generate the different MPTA models by combination of the relevant EoS/potentials. In the present work, the simplified perturbed-chain statistical associating fluid theory (sPC-SAFT) EoS is used for the thermodynamic description of both...
Warping the Kähler potential of F-theory/IIB flux compactifications
Energy Technology Data Exchange (ETDEWEB)
Martucci, Luca [Dipartimento di Fisica ed Astronomia “Galileo Galilei' , Università di Padova,and INFN - Sezione di Padova,Via Marzolo 8, 35131 Padova (Italy)
2015-03-13
We identify the low-energy Kähler potential of warped F-theory/IIB flux compactifications whose light spectrum includes universal, Kähler, axionic and mobile D3-brane moduli. The derivation is based on four-dimensional local superconformal symmetry and holomorphy of brane instanton contributions and it reproduces and generalises previous partial results. We compute the resulting kinetic terms, which show their explicit dependence on the warping. The Kähler potential satisfies the no-scale condition and produces, at leading order in the large volume expansion, a specific correction to the unwarped Kähler potential.
Barbosa-Cendejas, Nandinii; Kanakoglou, Konstantinos; Paschalis, Joannis E
2011-01-01
In this paper we recall a simple formulation of the stationary electrovacuum theory in terms of the famous complex Ernst potentials, a pair of functions which allows one to generate new exact solutions from known ones by means of the so-called nonlinear hidden symmetries of Lie-Backlund type. This formalism turned out to be very useful to perform a complete classification of all 4D solutions which present two spacetime symmetries or possess two Killing vectors. Curiously enough, the Ernst formalism can be extended and applied to stationary General Relativity as well as the effective heterotic string theory reduced down to three spatial dimensions by means of a (real) matrix generalization of the Ernst potentials. Thus, in this theory one can also make use of nonlinear matrix hidden symmetries in order to generate new exact solutions from seed ones. Due to the explicit independence of the matrix Ernst potential formalism of the original theory (prior to dimensional reduction) on the dimension D, in the case wh...
Indian Academy of Sciences (India)
Amita Wadehra; Swapan K Ghosh
2005-09-01
The electron density changes in molecular systems in the presence of external electric fields are modeled for simplicity in terms of the induced charges and dipole moments at the individual atomic sites. 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 illustrative numerical calculations are shown to predict the molecular polarizabilities in good agreement with available results. The usefulness of the approach to the calculation of intermolecular interaction needed for computer simulation is highlighted.
Thermodynamic potentials from shifted boundary conditions: the scalar-field theory case
Giusti, Leonardo
2011-01-01
In a thermal field theory, the cumulants of the momentum distribution can be extracted from the dependence of the Euclidean path integral on a shift in the fields built into the temporal boundary condition. When combined with the Ward identities associated with the invariance of the theory under the Poincare' group, thermodynamic potentials such as the entropy or the pressure can be directly inferred from the response of the system to the shift. Crucially the argument holds, up to harmless finite-size and discretization effects, even if translational and rotational invariance are broken to a discrete subgroup of finite shifts and rotations such as in a lattice box. The formulas are thus applicable at finite lattice spacing and volume provided the derivatives are replaced by their discrete counterpart, and no additive or multiplicative ultraviolet-divergent renormalizations are needed to take the continuum limit. In this paper we present a complete derivation of the relevant formulas in the scalar field theory...
Laine, M; Tassler, M
2007-01-01
Recently, a finite-temperature real-time static potential has been introduced via a Schr\\"odinger-type equation satisfied by a certain heavy quarkonium Green's function. Furthermore, it has been pointed out that it possesses an imaginary part, which induces a finite width for the tip of the quarkonium peak in the thermal dilepton production rate. The imaginary part originates from Landau-damping of low-frequency gauge fields, which are essentially classical due to their high occupation number. Here we show how the imaginary part can be measured with classical lattice gauge theory simulations, accounting non-perturbatively for the infrared sector of finite-temperature field theory. We demonstrate that a non-vanishing imaginary part indeed exists non-perturbatively; and that its value agrees semi-quantitatively with that predicted by Hard Loop resummed perturbation theory.
Kobryn, Alexander E; Nikolić, Dragan; Lyubimova, Olga; Gusarov, Sergey; Kovalenko, Andriy
2014-10-16
We present a method of DPD simulation based on a coarse-grained effective pair potential obtained from the DRISM-KH molecular theory of solvation. The theory is first used to calculate the radial distribution functions of all-atom solute monomers in all-atom solvent and then to invert them into an effective pair potential between coarse-grained beads such that their fluid without solvent accounts for molecular specificities and solvation effects in the all-atom system. Bonded interactions are sampled in relatively short MD of the all-atom system and modeled with best multi-Gaussian fit. Replacing the heuristically defined conservative force potential in DPD, the coarse-grained effective pair potential is free from the artificial restrictions on potential range and shape and on equal volume of solute and solvent blobs inherent in standard DPD. The procedure is flexible in specifying coarse-grained mapping and enormously increases computational efficiency by eliminating solvent. The method is validated on polystyrene chains of various length in toluene at finite concentrations for room and polystyrene glass transition temperature. It yields the chain elastic properties and diffusion coefficient in good agreement with experiment and all-atom MD simulations. DPD with coarse-grained effective pair potential is capable of predicting both structural and dynamic properties of polymer solutions and soft matter with high accuracy and computational efficiency.
NLL resummation for the static potential in N=4 SYM theory
Energy Technology Data Exchange (ETDEWEB)
Stahlhofen, Maximilian [Wien Univ. (Austria). Fakultaet fuer Physik
2012-09-15
We determine the complete NLL running of the static potential associated with the locally 1/2 BPS Wilson loop in N=4 supersymmetric Yang-Mills theory. We present results for the SU(N{sub c}) singlet as well as for the adjoint configuration and arbitrary N{sub c} at weak coupling. In order to derive the respective anomalous dimensions we perform a two-loop calculation in the N=4 supersymmetric version of the effective field theory pNRQCD. In addition we confirm the recently obtained fixed-order result for the singlet static potential generated exclusively by ladder diagrams to the third order in the t'Hooft coupling. We also give an explicit expression for the logarithmic contribution of all non-ladder diagrams at this order.
Curvatures and potential of M-theory in D=4 with fluxes and twist
D'Auria, R; Trigiante, M
2005-01-01
We give the curvatures of the free differential algebra (FDA) of M--theory compactified to D=4 on a twisted seven--torus with the 4--form flux switched on. Two formulations are given, depending on whether the 1--form field strengths of the scalar fields (originating from the 3--form gauge field $\\hat{A}^{(3)}$) are included or not in the FDA. We also give the bosonic equations of motion and discuss at length the scalar potential which emerges in this type of compactifications. For flat groups we show the equivalence of this potential with a dual formulation of the theory which has the full $\\rE_{7(7)}$ symmetry.
Sign of V6 term in internal rotation potential of acetaldehyde. Theory and experiment in harmony
Goodman, Lionel; Leszczynski, Jerzy; Kundu, Tapanendu
1994-01-01
The V6 term, regulating the shape of the internal rotation potential for a single rotor, has been predicted by ab initio theory for acetaldehyde. The internal rotation potential constants were computed by single point fourth order Møller-Plesset (MP4) 6-311G(3df,2p) level theory for three models differing in molecular flexing motions using MP2 optimized molecular geometries. The negative sign of V6, established by microwave and infrared experiments, is predicted only by the fully relaxed model which includes out-of-plane wagging of the aldehyde hydrogen. This requires strong coupling of methyl torsional motion to the hydrogen wag. The predicted magnitude of V6 differs by only 4 cm-1 from the experimentally established value.
Directory of Open Access Journals (Sweden)
Hirohisa Tamagawa
2016-01-01
Full Text Available The potential between two electrolytic solutions separated by a membrane impermeable to ions was measured and the generation mechanism of potential measured was investigated. From the physiological point of view, a nonzero membrane potential or action potential cannot be observed across the impermeable membrane. However, a nonzero membrane potential including action potential-like potential was clearly observed. Those observations gave rise to a doubt concerning the validity of currently accepted generation mechanism of membrane potential and action potential of cell. As an alternative theory, we found that the long-forgotten Ling’s adsorption theory was the most plausible theory. Ling’s adsorption theory suggests that the membrane potential and action potential of a living cell is due to the adsorption of mobile ions onto the adsorption site of cell, and this theory is applicable even to nonliving (or non-biological system as well as living system. Through this paper, the authors emphasize that it is necessary to reconsider the validity of current membrane theory and also would like to urge the readers to pay keen attention to the Ling’s adsorption theory which has for long years been forgotten in the history of physiology.
Tamagawa, Hirohisa; Funatani, Makoto; Ikeda, Kota
2016-01-26
The potential between two electrolytic solutions separated by a membrane impermeable to ions was measured and the generation mechanism of potential measured was investigated. From the physiological point of view, a nonzero membrane potential or action potential cannot be observed across the impermeable membrane. However, a nonzero membrane potential including action potential-like potential was clearly observed. Those observations gave rise to a doubt concerning the validity of currently accepted generation mechanism of membrane potential and action potential of cell. As an alternative theory, we found that the long-forgotten Ling's adsorption theory was the most plausible theory. Ling's adsorption theory suggests that the membrane potential and action potential of a living cell is due to the adsorption of mobile ions onto the adsorption site of cell, and this theory is applicable even to nonliving (or non-biological) system as well as living system. Through this paper, the authors emphasize that it is necessary to reconsider the validity of current membrane theory and also would like to urge the readers to pay keen attention to the Ling's adsorption theory which has for long years been forgotten in the history of physiology.
Perturbative Expansion around the Gaussian Effective Potential of the Fermion Field Theory
Lee, G H; Yee, J H; Lee, Geon Hyoung; Lee, Tack Hwi; Yee, Jae Hyung
1998-01-01
We have extended the perturbative expansion method around the Gaussian effective action to the fermionic field theory, by taking the 2-dimensional Gross-Neveu model as an example. We have computed both the zero temperature and the finite temperature effective potentials of the Gross-Neveu model up to the first perturbative correction terms, and have found that the critical temperature, at which dynamically broken symmetry is restored, is significantly improved for small value of the flavour number.
1999-01-01
In this paper we apply the renormalization-group (RG) inspired resummation method to the one-loop effective potential at finite temperature evaluated in the massive scalar 04 model renormalized at zero-temperature, and study whether ourresummation procedure a la RG uccessfully resum the dominant correction terms apperaed in the perturbative caluculation in the T = 0 renormalization scheme or not.Our findings are i) that if we start from the theory renormalized at T = 0, then the condition tha...
Thermodynamics of Large N Gauge Theories with Chemical Potentials in a 1/D Expansion
Morita, Takeshi
2010-01-01
In order to understand thermodynamical properties of N D-branes with chemical potentials associated with R-symmetry charges, we study a one dimensional large N gauge theory (bosonic BFSS type model) as a first step. This model is obtained through a dimensional reduction of a 1+D dimensional SU(N) Yang-Mills theory and we use a 1/D expansion to investigate the phase structure. We find three phases in the \\mu-T plane. We also show that all the adjoint scalars condense at large D and obtain a mass dynamically. This dynamical mass protects our model from the usual perturbative instability of massless scalars in a non-zero chemical potential. We find that the system is at least meta-stable for arbitrary large values of the chemical potentials in D \\to \\infty limit. We also explore the existence of similar condensation in higher dimensional gauge theories in a high temperature limit. In 2 and 3 dimensions, the condensation always happens as in one dimensional case. On the other hand, if the dimension is higher than...
Transport formulas for multi-component plasmas within the effective potential theory framework
Kagan, Grigory
2016-01-01
The recently proposed effective potential theory [Phys. Rev. Lett. 110, 235001 (2013)] allows evaluating transport in coupled plasmas with the well-developed formalisms for systems with binary collisions. To facilitate practical implementation of this concept in fluid models of multi-component plasmas, compact expressions for the transport coefficients in terms the generalized Coulomb logarithms are summarized from existing prescriptions. For weakly coupled plasmas, characterized by Debye-shielded Coulomb interaction potential, expressions become fully analytical. In coupled plasmas the generalized Coulomb logarithms need to be evaluated numerically. Routines implementing the described formalisms are included as supplemental material.
Overlap Dirac operator at nonzero chemical potential and random matrix theory.
Bloch, Jacques; Wettig, Tilo
2006-07-07
We show how to introduce a quark chemical potential in the overlap Dirac operator. The resulting operator satisfies a Ginsparg-Wilson relation and has exact zero modes. It is no longer gamma5 Hermitian, but its nonreal eigenvalues still occur in pairs. We compute the spectral density of the operator on the lattice and show that, for small eigenvalues, the data agree with analytical predictions of non-Hermitian chiral random matrix theory for both trivial and nontrivial topology. We also explain an observed change in the number of zero modes as a function of chemical potential.
Hu, Jinniu; Shen, Hong
2016-01-01
We study the properties of nuclear matter with lattice nucleon-nucleon ($NN$) potential in the relativistic Brueckner-Hartree-Fock (RBHF) theory. To use this potential in such a microscopic many-body theory, we firstly have to construct a one-boson-exchange potential (OBEP) based on the latest lattice $NN$ potential. Three mesons, pion, $\\sigma$ meson, and $\\omega$ meson, are considered. Their coupling constants and cut-off momenta are determined by fitting the on-shell behaviors and phase shifts of the lattice force, respectively. Therefore, we obtain two parameter sets of the OBEP potential (named as LOBEP1 and LOBEP2) with these two fitting ways. We calculate the properties of symmetric and pure neutron matter with LOBEP1 and LOBEP2. In non-relativistic Brueckner-Hartree-Fock case, the binding energies of symmetric nuclear matter are around $-3$ and $-5$ MeV at saturation densities, while it becomes $-8$ and $-12$ MeV in relativistic framework with $^1S_0,~^3S_1,$ and $^3D_1$ channels using our two paramet...
Dynamic kinetic energy potential for orbital-free density functional theory.
Neuhauser, Daniel; Pistinner, Shlomo; Coomar, Arunima; Zhang, Xu; Lu, Gang
2011-04-14
A dynamic kinetic energy potential (DKEP) is developed for time-dependent orbital-free (TDOF) density function theory applications. This potential is constructed to affect only the dynamical (ω ≠ 0) response of an orbital-free electronic system. It aims at making the orbital-free simulation respond in the same way as that of a noninteracting homogenous electron gas (HEG), as required by a correct kinetic energy, therefore enabling extension of the success of orbital-free density functional theory in the static case (e.g., for embedding and description of processes in bulk materials) to dynamic processes. The potential is constructed by expansions of terms, each of which necessitates only simple time evolution (concurrent with the TDOF evolution) and a spatial convolution at each time-step. With 14 such terms a good fit is obtained to the response of the HEG at a large range of frequencies, wavevectors, and densities. The method is demonstrated for simple jellium spheres, approximating Na(9)(+) and Na(65)(+) clusters. It is applicable both to small and large (even ultralarge) excitations and the results converge (i.e., do not blow up) as a function of time. An extension to iterative frequency-resolved extraction is briefly outlined, as well as possibly numerically simpler expansions. The approach could also be extended to fit, instead of the HEG susceptibility, either an experimental susceptibility or a theoretically derived one for a non-HEG system. The DKEP potential should be a powerful tool for embedding a dynamical system described by a more accurate method (such as time-dependent density functional theory, TDDFT) in a large background described by TDOF with a DKEP potential. The type of expansions used and envisioned should be useful for other approaches, such as memory functionals in TDDFT. Finally, an appendix details the formal connection between TDOF and TDDFT.
Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia
2014-09-01
Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G0W0. Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more.
The biopsychosocial model and its potential for a new theory of homeopathy.
Schmidt, Josef M
2012-04-01
Since the nineteenth century the theory of conventional medicine has been developed in close alignment with the mechanistic paradigm of natural sciences. Only in the twentieth century occasional attempts were made to (re)introduce the 'subject' into medical theory, as by Thure von Uexküll (1908-2004) who elaborated the so-called biopsychosocial model of the human being, trying to understand the patient as a unit of organic, mental, and social dimensions of life. Although widely neglected by conventional medicine, it is one of the most coherent, significant, and up-to-date models of medicine at present. Being torn between strict adherence to Hahnemann's original conceptualization and alienation caused by contemporary scientific criticism, homeopathy today still lacks a generally accepted, consistent, and definitive theory which would explain in scientific terms its strength, peculiarity, and principles without relapsing into biomedical reductionism. The biopsychosocial model of the human being implies great potential for a new theory of homeopathy, as may be demonstrated with some typical examples.
Zhou, Chenyi; Guo, Hong
2017-01-01
We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.
Low Energy Effective Theory of QCD at High Isospin Chemical Potential
Cohen, Thomas D
2015-01-01
The goal of this paper is to arrive at a low energy effective theory of QCD with two massless flavors of quarks at very high isospin density and zero baryon density. In a seminal paper by Son and Stephanov in the year 2001, it was conjectured that the low energy dynamics of QCD with two light flavors at asymptotically high isospin density was described by that of a pure Yang-Mills effective Lagrangian. Since the existence of a first order deconfinement phase transition with increasing temperature is a feature of every pure SU(N) Yang-Mills theory with N greater than or equal to 3, the regime considered in this paper is also expected to exhibit a first order deconfinement phase transition with increasing temperature. However, the low energy constants(LEC) of this pure Yang-Mills theory have not been calculated till date. We calculate the LEC s for this effective theory which in turn enables us to calculate the critical temperature of the deconfinement transition as a function of the isospin chemical potential ...
Numerical density-to-potential inversions in time-dependent density functional theory.
Jensen, Daniel S; Wasserman, Adam
2016-08-01
We treat the density-to-potential inverse problem of time-dependent density functional theory as an optimization problem with a partial differential equation constraint. The unknown potential is recovered from a target density by applying a multilevel optimization method controlled by error estimates. We employ a classical optimization routine using gradients efficiently computed by the discrete adjoint method. The inverted potential has both a real and imaginary part to reduce reflections at the boundaries and other numerical artifacts. We demonstrate this method on model one-dimensional systems. The method can be straightforwardly extended to a variety of numerical solvers of the time-dependent Kohn-Sham equations and to systems in higher dimensions.
Reščič, J.; Kalyuzhnyi, Y. V.; Cummings, P. T.
2016-10-01
The approach developed earlier to describe the dimerizing shielded attractive shell (SAS) primitive model of chemical association due to Cummings and Stell is generalized and extended to include a description of a polymerizing SAS model. Our extension is based on the combination of the resummed thermodynamic perturbation theory for central force (RTPT-CF) associating potential and self consistent scheme, which takes into account the changes in the system free volume due to association. Theoretical results for thermodynamical properties of the model at different bonding length, density and temperature are compared against newly generated computer simulation results. The theory gives very accurate predictions for the model with bonding length L * from the range 0 < L * < 0.6 at all values of the density and temperature studied, including the limit of infinitely large temperature.
Potential function methods for approximately solving linear programming problems theory and practice
Bienstock, Daniel
2002-01-01
Potential Function Methods For Approximately Solving Linear Programming Problems breaks new ground in linear programming theory. The book draws on the research developments in three broad areas: linear and integer programming, numerical analysis, and the computational architectures which enable speedy, high-level algorithm design. During the last ten years, a new body of research within the field of optimization research has emerged, which seeks to develop good approximation algorithms for classes of linear programming problems. This work both has roots in fundamental areas of mathematical programming and is also framed in the context of the modern theory of algorithms. The result of this work, in which Daniel Bienstock has been very much involved, has been a family of algorithms with solid theoretical foundations and with growing experimental success. This book will examine these algorithms, starting with some of the very earliest examples, and through the latest theoretical and computational developments.
Control theory based airfoil design for potential flow and a finite volume discretization
Reuther, J.; Jameson, A.
1994-01-01
This paper describes the implementation of optimization techniques based on control theory for airfoil design. In previous studies it was shown that control theory could be used to devise an effective optimization procedure for two-dimensional profiles in which the shape is determined by a conformal transformation from a unit circle, and the control is the mapping function. The goal of our present work is to develop a method which does not depend on conformal mapping, so that it can be extended to treat three-dimensional problems. Therefore, we have developed a method which can address arbitrary geometric shapes through the use of a finite volume method to discretize the potential flow equation. Here the control law serves to provide computationally inexpensive gradient information to a standard numerical optimization method. Results are presented, where both target speed distributions and minimum drag are used as objective functions.
DeGrand, Thomas; Golterman, Maarten; Jay, William I.; Neil, Ethan T.; Shamir, Yigal; Svetitsky, Benjamin
2016-09-01
We develop methods to calculate the electroweak gauge boson contribution to the effective Higgs potential in the context of composite Higgs models, using lattice gauge theory. The calculation is analogous to that of the electromagnetic mass splitting of the pion multiplet in QCD. We discuss technical details of carrying out this calculation, including modeling of the momentum and fermion-mass dependence of the underlying current-current correlation function, direct integration of the correlation function over momentum, and fits based on the minimal-hadron approximation. We show results of a numerical study using valence overlap fermions, carried out in an SU(4) gauge theory with two flavors of Dirac fermions in the two-index antisymmetric representation.
Cohomological Donaldson-Thomas theory of a quiver with potential and quantum enveloping algebras
Davison, Ben
2016-01-01
This paper is a companion paper to 1512.08898, on the general definition of Donaldson--Thomas invariants for Jacobi algebras, or equivalently, the integrality conjecture for such algebras. In this paper we concentrate on the Hodge-theoretic aspects of the theory, and explore the structure of the Cohomological Hall algebra associated to a quiver and potential, introduced by Kontsevich and Soibelman. Via a study of the representation theory of these algebras, we introduce a perverse filtration on them, and prove that they are quantum enveloping algebras, for which the integrality theorem, and the wall crossing theorem relating DT invariants for different Bridgeland stability conditions, are a K-theoretic shadow of the existence of PBW bases.
Full-potential multiple scattering theory with space-filling cells for bound and continuum states.
Hatada, Keisuke; Hayakawa, Kuniko; Benfatto, Maurizio; Natoli, Calogero R
2010-05-12
We present a rigorous derivation of a real-space full-potential multiple scattering theory (FP-MST) that is free from the drawbacks that up to now have impaired its development (in particular the need to expand cell shape functions in spherical harmonics and rectangular matrices), valid both for continuum and bound states, under conditions for space partitioning that are not excessively restrictive and easily implemented. In this connection we give a new scheme to generate local basis functions for the truncated potential cells that is simple, fast, efficient, valid for any shape of the cell and reduces to the minimum the number of spherical harmonics in the expansion of the scattering wavefunction. The method also avoids the need for saturating 'internal sums' due to the re-expansion of the spherical Hankel functions around another point in space (usually another cell center). Thus this approach provides a straightforward extension of MST in the muffin-tin (MT) approximation, with only one truncation parameter given by the classical relation l(max) = kR(b), where k is the electron wavevector (either in the excited or ground state of the system under consideration) and R(b) is the radius of the bounding sphere of the scattering cell. Moreover, the scattering path operator of the theory can be found in terms of an absolutely convergent procedure in the l(max) --> ∞ limit. Consequently, this feature provides a firm ground for the use of FP-MST as a viable method for electronic structure calculations and makes possible the computation of x-ray spectroscopies, notably photo-electron diffraction, absorption and anomalous scattering among others, with the ease and versatility of the corresponding MT theory. Some numerical applications of the theory are presented, both for continuum and bound states.
Spectral/quadrature duality: Picard-Vessiot theory and finite-gap potentials
Brezhnev, Yurii V
2010-01-01
In the framework of differential Galois theory we treat classical spectral problem $\\Psi''-u(x)\\Psi=\\lambda\\Psi$ and its finite-gap potentials as exactly solvable in quadratures by Picard-Vessiot without involving special functions (the ideology goes back to works by J. Drach 1919). From this standpoint we inspect known facts and obtain new ones: an important formula for Psi-function, differential properties of Jacobian theta-functions, and Theta-function extension of Picard-Vessiot fields. We show that duality between spectral and quadrature approaches is realized through the Weierstrass permutation theorem for a logarithmic Abelian integral.
Full canonical information from grand-potential density-functional theory.
de Las Heras, Daniel; Schmidt, Matthias
2014-12-05
We present a general and formally exact method to obtain the canonical one-body density distribution and the canonical free energy from direct decomposition of classical density functional results in the grand ensemble. We test the method for confined one-dimensional hard-core particles for which the exact grand potential density functional is explicitly known. The results agree to within high accuracy with those from exact methods and our Monte Carlo many-body simulations. The method is relevant for treating finite systems and for dynamical density functional theory.
Full simulation of chiral Random Matrix Theory at non-zero chemical potential by Complex Langevin
Mollgaard, A
2014-01-01
It is demonstrated that the complex Langevin method can simulate chiral random matrix theory at non-zero chemical potential. The successful match with the analytic prediction for the chiral condensate is established through a shift of matrix integration variables and choosing a polar representation for the new matrix elements before complexification. Furthermore, we test the proposal to work with a Langevin-time dependent quark mass and find that it allows us to control the fluctuations of the phase of the fermion determinant throughout the Langevin trajectory.
Full simulation of chiral random matrix theory at nonzero chemical potential by complex Langevin
Mollgaard, A.; Splittorff, K.
2015-02-01
It is demonstrated that the complex Langevin method can simulate chiral random matrix theory at nonzero chemical potential. The successful match with the analytic prediction for the chiral condensate is established through a shift of matrix integration variables and choosing a polar representation for the new matrix elements before complexification. Furthermore, we test the proposal to work with a Langevin-time-dependent quark mass and find that it allows us to control the fluctuations of the phase of the fermion determinant throughout the Langevin trajectory.
Prediction of adsorption from liquid mixtures in microporous media by the potential theory
DEFF Research Database (Denmark)
Monsalvo, Matias Alfonso; Shapiro, Alexander
2007-01-01
. With this approach, few parameters are needed to predict adsorption equilibria. The MPTA has been so far used to successfully predict adsorption equilibria of multicomponent gas mixtures. The aim of this work is to extent the MPTA onto adsorption from liquid solutions. We show that such extension is straightforward......Despite its industrial importance, adsorption from the liquid phase has been studied much less extensively than adsorption from the gas phase. In this paper, we study the adsorption of liquid mixtures on the basis of the multicomponent potential theory of adsorption (MPTA). The MPTA is based...
Metric-space approach to potentials and its relevance to density-functional theory
Sharp, P. M.; D'Amico, I.
2016-12-01
External potentials play a crucial role in modeling quantum systems, since, for a given interparticle interaction, they define the system Hamiltonian. We use the metric-space approach to quantum mechanics to derive, from the energy conservation law, two natural metrics for potentials. We show that these metrics are well defined for physical potentials, regardless of whether the system is in an eigenstate or if the potential is bounded. In addition, we discuss the gauge freedom of potentials and how to ensure that the metrics preserve physical relevance. Our metrics for potentials, together with the metrics for wave functions and densities from I. D'Amico et al. [Phys. Rev. Lett. 106, 050401 (2011), 10.1103/PhysRevLett.106.050401] paves the way for a comprehensive study of the two fundamental theorems of density-functional theory. We explore these by analyzing two many-body systems for which the related exact Kohn-Sham systems can be derived. First we consider the information provided by each of the metrics, and we find that the density metric performs best in distinguishing two many-body systems. Next we study for the systems at hand the one-to-one relationships among potentials, ground-state wave functions, and ground-state densities defined by the Hohenberg-Kohn theorem as relationships in metric spaces. We find that, in metric space, these relationships are monotonic and incorporate regions of linearity, at least for the systems considered. Finally, we use the metrics for wave functions and potentials in order to assess quantitatively how close the many-body and Kohn-Sham systems are: We show that, at least for the systems analyzed, both metrics provide a consistent picture, and for large regions of the parameter space the error in approximating the many-body wave function with the Kohn-Sham wave function lies under a threshold of 10%.
Indian Academy of Sciences (India)
Bhaskar Jyoti Hazarika; D K Choudhury
2010-09-01
We used variationally improved perturbation theory (VIPT) in calculating the slope and curvature of Isgur–Wise (I–W) function with the Cornell potential $− \\dfrac{4_{s}}{3r} br + c$ instead of the usual stationary state perturbation theory as done earlier. We used $−(4_{s} /3r)$, i.e. the Coulombic potential, as the parent and the linear one, i.e. $br +c$ as the perturbed potential in the theory and calculated the slope and curvature of Isgur–Wise function including three states in the summation involved in the first-order correction to wave function in the method.
Adam, John A
2014-01-01
This chapter represents an attempt to summarize some of the direct and indirect connections that exist between ray theory, wave theory and potential scattering theory. Such connections have been noted in the past, and have been exploited to some degree, but in the opinion of this author, there is much more yet to be pursued in this regard. This article provides the framework for more detailed analysis in the future. In order to gain a better appreciation for a topic, it is frequently of value to examine it from as many complementary levels of description as possible, and that is the objective here. Drawing in part on the work of Nussenzveig, Lock, Debye and others, the mathematical nature of the rainbow is discussed from several perspectives. The primary bow is the lowest-order bow that can occur by scattering from a spherical drop with constant refractive index n, but zero-order (or direct transmission) bows can exist when the sphere is radially inhomogeneous. The refractive index profile automatically defin...
THEORY OF GENERATIONS AS A TOOL FOR ANALYSIS, FORMATION AND DEVELOPMENT OF LABOUR POTENTIAL
Directory of Open Access Journals (Sweden)
I. M. Gurova
2016-01-01
Full Text Available The modern Strauss–Howe generational theory created at the intersection of economic, sociological, historical and psychological Sciences. She focuses primarily on difference of attitudes of generations, due to the specific social environment, corresponding to a certain period of time. Such a perspective on issues related to the human factor in the economy, has recently attracted interest not only from researchers, but also finds application for solving practical problems in some fields of business.Subject / theme. The article is devoted to one of the urgent contemporary socio-economic problems – the issue of the formation and development of labor potential. In this context, the theory of generations is offered by the authors as a tool for the study of qualitative parameters of human resources and the planning of future work opportunities in our country. In particular, the article considers the main aspects of the classical version of the Strauss–Howe generational theory and its Russian adaptation. Statistics describing the General demographics and working population of Russia from the point of view of generational groups. On this basis, a forecast is made of the labor potential of the country in the long term structure, review and compare the basic values and business characteristics of its constituent generations. Problem areas for which use of generational approach is rational are revealed and the corresponding recommendations are made.Objectives. The purpose of this article is justification of the possible application of provisions of modern theories of generations to identify and predict the dynamics of qualitative characteristics of the domestic workforce, as well as the prospects of its use in order to control the formation and development of labor potential.Methods. Methodological basis of the presented work make comparative and economic-statistical and socio-cultural methods of analysis.Results. In the framework of this article
Size-dependent error of the density functional theory ionization potential in vacuum and solution.
Sosa Vazquez, Xochitl A; Isborn, Christine M
2015-12-28
Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potential for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.
Bauer, Greta R
2014-06-01
Intersectionality theory, developed to address the non-additivity of effects of sex/gender and race/ethnicity but extendable to other domains, allows for the potential to study health and disease at different intersections of identity, social position, processes of oppression or privilege, and policies or institutional practices. Intersectionality has the potential to enrich population health research through improved validity and greater attention to both heterogeneity of effects and causal processes producing health inequalities. Moreover, intersectional population health research may serve to both test and generate new theories. Nevertheless, its implementation within health research to date has been primarily through qualitative research. In this paper, challenges to incorporation of intersectionality into population health research are identified or expanded upon. These include: 1) confusion of quantitative terms used metaphorically in theoretical work with similar-sounding statistical methods; 2) the question of whether all intersectional positions are of equal value, or even of sufficient value for study; 3) distinguishing between intersecting identities, social positions, processes, and policies or other structural factors; 4) reflecting embodiment in how processes of oppression and privilege are measured and analysed; 5) understanding and utilizing appropriate scale for interactions in regression models; 6) structuring interaction or risk modification to best convey effects, and; 7) avoiding assumptions of equidistance or single level in the design of analyses. Addressing these challenges throughout the processes of conceptualizing and planning research and in conducting analyses has the potential to improve researchers' ability to more specifically document inequalities at varying intersectional positions, and to study the potential individual- and group-level causes that may drive these observed inequalities. A greater and more thoughtful incorporation
Size-dependent error of the density functional theory ionization potential in vacuum and solution
Energy Technology Data Exchange (ETDEWEB)
Sosa Vazquez, Xochitl A.; Isborn, Christine M., E-mail: cisborn@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States)
2015-12-28
Density functional theory is often the method of choice for modeling the energetics of large molecules and including explicit solvation effects. It is preferable to use a method that treats systems of different sizes and with different amounts of explicit solvent on equal footing. However, recent work suggests that approximate density functional theory has a size-dependent error in the computation of the ionization potential. We here investigate the lack of size-intensivity of the ionization potential computed with approximate density functionals in vacuum and solution. We show that local and semi-local approximations to exchange do not yield a constant ionization potential for an increasing number of identical isolated molecules in vacuum. Instead, as the number of molecules increases, the total energy required to ionize the system decreases. Rather surprisingly, we find that this is still the case in solution, whether using a polarizable continuum model or with explicit solvent that breaks the degeneracy of each solute, and we find that explicit solvent in the calculation can exacerbate the size-dependent delocalization error. We demonstrate that increasing the amount of exact exchange changes the character of the polarization of the solvent molecules; for small amounts of exact exchange the solvent molecules contribute a fraction of their electron density to the ionized electron, but for larger amounts of exact exchange they properly polarize in response to the cationic solute. In vacuum and explicit solvent, the ionization potential can be made size-intensive by optimally tuning a long-range corrected hybrid functional.
Numerical verification of similar Cam-clay model based on generalized potential theory
Institute of Scientific and Technical Information of China (English)
钟志辉; 杨光华; 傅旭东; 温勇; 张玉成
2014-01-01
From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential theory, has less assumptions, clearer mathematical basis, and better computational accuracy. Theoretically, it is more scientific than the traditional Cam-clay models. The particle flow code PFC3D was used to make numerical tests to verify the rationality and practicality of the similar Cam-clay model. The verification process was as follows: 1) creating the soil sample for numerical test in PFC3D, and then simulating the conventional triaxial compression test, isotropic compression test, and isotropic unloading test by PFC3D; 2) determining the parameters of the similar Cam-clay model from the results of above tests; 3) predicting the sample’s behavior in triaxial tests under different stress paths by the similar Cam-clay model, and comparing the predicting results with predictions by the Cam-clay model and the modified Cam-clay model. The analysis results show that the similar Cam-clay model has relatively high prediction accuracy, as well as good practical value.
Bukowski, R.; Szalewicz, K.; Groenenboom, G.C.; Avoird, A. van der
2006-01-01
A new six-dimensional interaction potential for the water dimer has been obtained by fitting interaction energies computed at 2510 geometries using a variant of symmetry-adapted perturbation theory (SAPT) based on density functional theory (DFT) description of monomers, referred to as SAPT(DFT). The
Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto
2017-05-31
In this work we establish a new temperature dependent procedure within the grand canonical ensemble, to avoid the Dirac delta function exhibited by some of the second order chemical reactivity descriptors based on density functional theory, at a temperature of 0 K. Through the definition of a local chemical potential designed to integrate to the global temperature dependent electronic chemical potential, the local chemical hardness is expressed in terms of the derivative of this local chemical potential with respect to the average number of electrons. For the three-ground-states ensemble model, this local hardness contains a term that is equal to the one intuitively proposed by Meneses, Tiznado, Contreras and Fuentealba, which integrates to the global hardness given by the difference in the first ionization potential, I, and the electron affinity, A, at any temperature. However, in the present approach one finds an additional temperature-dependent term that introduces changes at the local level and integrates to zero. Additionally, a τ-hard dual descriptor and a τ-soft dual descriptor given in terms of the product of the global hardness and the global softness multiplied by the dual descriptor, respectively, are derived. Since all these reactivity indices are given by expressions composed of terms that correspond to products of the global properties multiplied by the electrophilic or nucleophilic Fukui functions, they may be useful for studying and comparing equivalent sites in different chemical environments.
Institute of Scientific and Technical Information of China (English)
GAO TIAN-LING; LIU QIANG; Ma Fu-ming
2012-01-01
This paper is concerned with the electromagnetic scattering by a nonperfectly conductor obstacle in chiral environment.A two-dimensional mathematical model is established.The existence and uniqueness of the problem are discussed by potential theory.
Application of Dempster-Shafer theory in mineral resource potential mapping
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
The Dempster-Shafer theory has been successfully applied to mineral resource potential mapping in GIS environmental. In this applied form, basic probability assignment and combined basic probability assignment are applied to measuring map pattern and map pattern combination, respectively; and the environment composed of the only two singleton sets (deposit set and non-deposit set), is used for expressing the entire map area. For a subarea in which the certain map pattern combination exists, the combined basic probability assignment corresponding to the map pattern combination existing in this subarea, expresses the belief of inferring the subarea belonging to the deposit set from the evidence that the corresponding map pattern combination existing in the subarea. Thus, it may be served as a statistical index measuring the relative mineral resource potentials of the subarea. And it may be determined like 1) dividing the map area into a series of small equal-sized grid cells and then select the training sample set composed of the well-known grid cells or the entire grid cells; 2) estimating the basic probability assignments corresponding to each map pattern fromthe training sample set; 3) determining the map pattern combination existing in each cell, and then appling the Dempster's Rule of Combination to integrating the all basic probability assignments corresponding to the map patterns existing in the cell into the combined basic probability assignment. Mineral resource potential mapping with the Dempster-Shafer theory is demonstrated on a case study to select mineral resource targets. The experimental results manifest that the model can be compared with the weights of evidence model in the effectiveness of mineral resource target selection.
Application of Potential Theory to Steady Flow Past Two Cylinders in Tandem Arrangement
Directory of Open Access Journals (Sweden)
Yangyang Gao
2014-01-01
Full Text Available The wake flow patterns associated with flow past a cylinder and a cylinder-pair in tandem configuration are revisited, compared, and evaluated with respect to the streamline patterns generated based on potential flow theory and superposition of various potential flow elements. The wakes, which are vortex shedding in the lee of the cylinder(s, are reproduced by placing pairs of equal but opposite circulation elements in the potential flow field. The strength of the circulation elements determines the size of the vortices produced. The streamline patterns of flow past a pair of unequal cylinders in tandem configuration provide an indirect means to establish the threshold condition for the wake transition from that of a single bluff body to alternating reattachment behavior. This threshold condition is found to be a function of the diameter ratio, d/D (diameters d and D, d≤D , spacing ratio, L/D (centre-to-centre distance, L, to cylinder diameter, D, and equivalent incident flow speed, U. A unique functional relationship f (L/D, d/D, U of this threshold condition is established.
Non-local potentials with LS terms in algebraic scattering theory
Energy Technology Data Exchange (ETDEWEB)
Levay, Peter [Department of Theoretical Physics, Institute of Physics, Technical University of Budapest, Budapest (Hungary)
1997-10-21
The group theoretical analysis of Coulomb scattering based on the SO(3,1) group is revisited. Using matrix-valued differential operators, modifying the angular momentum and the Runge-Lenz vector used hitherto for the realization of the so(3,1) (Lorentz) algebra, we obtain a three-dimensional solvable two-channel scattering problem. The interaction term besides the Coulomb potential contains a non-local potential of LS-type. Using the momentum representation the S-matrix can be calculated analytically. By employing a canonical transformation, another solvable three-dimensional scattering problem is found, in agreement with the expectations of algebraic scattering theory. The potential in this case is of Poeschl-Teller type with an LS term. It is also pointed out that our matrix-valued realization of the so(3,1) algebra can be cast to an instructive form with the help of su(2) gauge fields. An interesting connection between gauge transformations and supersymmetry transformations of supersymmetric quantum mechanics is also observed. These results enable us to construct other solvable scattering problems by using su(2) gauge transformations. (author)
Potential performance theory (PPT): describing a methodology for analyzing task performance.
Trafimow, David; Rice, Stephen
2009-05-01
Based on potential performance theory (PPT), a methodological paradigm is developed that allows for individual-level analyses. The proposed methodology distinguishes among observed performance, strategy, and consistency, with the idea that changes in observed performance can be caused by changes in strategy or consistency. Equations are presented that allow the computation of strategy and consistency scores for groups and individuals, with the goal of enabling researchers to find the reasons why performance improves or does not improve. More specifically, people may (1) develop better strategies, (2) use them more consistently, (3) both, or (4) neither. It is even possible to have strategy-consistency trade-offs, as individuals focus on one at the expense of the other. Data obtained from an experiment illustrate these possibilities.
Loss of 'complexity' and aging. Potential applications of fractals and chaos theory to senescence
Lipsitz, L. A.; Goldberger, A. L.
1992-01-01
The concept of "complexity," derived from the field of nonlinear dynamics, can be adapted to measure the output of physiologic processes that generate highly variable fluctuations resembling "chaos." We review data suggesting that physiologic aging is associated with a generalized loss of such complexity in the dynamics of healthy organ system function and hypothesize that such loss of complexity leads to an impaired ability to adapt to physiologic stress. This hypothesis is supported by observations showing an age-related loss of complex variability in multiple physiologic processes including cardiovascular control, pulsatile hormone release, and electroencephalographic potentials. If further research supports this hypothesis, measures of complexity based on chaos theory and the related geometric concept of fractals may provide new ways to monitor senescence and test the efficacy of specific interventions to modify the age-related decline in adaptive capacity.
Zhou, Shan-Gui
2016-01-01
The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES's) and fission barriers. In order to describe microscopically and self-consistently nuclear shapes and PES's with as many shape degrees of freedom as possible included, we developed multidimensionally-constrained covariant density functional theories (MDC-CDFTs). In MDC-CDFTs, the axial symmetry and the reflection symmetry are both broken and all deformations characterized by $\\beta_{\\lambda\\mu}$ with even $\\mu$ are considered. We have used the MDC-CDFTs to study PES's and fission barriers of actinides, the non-axial octupole $Y_{32}$ correlations in $N = 150$ isotones and shapes of hypernuclei. In this Review we will give briefly the formalism of MDC-CDFTs and present the applications to normal nuclei.
Institute of Scientific and Technical Information of China (English)
ZHANG Zhi-Dong; ZHANG Yan-Jun; SUN Zong-Li
2006-01-01
@@ Two-particle cluster theory is applied to study the biaxial nematic phase formed by biaxial molecules interacting with a simplified model proposed by Sonnet et al. [Phys. Rev. E 67 (2003) 061701]. For the temperature dependences of the internal energy per particle and of the order parameters, the two-particle theory yields an improved result compared with mean field theory. Concerning the phase diagram, the two-particle theory gives the numerical result in qualitative agreement with the mean field theory.
2D potential theory using complex algebra: new perspectives for interpretation of aeromagnetic data.
Le Maire, P.; Munschy, M.
2016-12-01
Source parameters determination using gravimetric or magnetic data is most often a qualitative exercise. For example, determination of the apparent inclination of magnetization is most often estimated by a trial and error approach. The development of potential field theory using complex algebra is able to better understand the effect of source parameters and to improve interpretations. 2D potential field equations can be written as complex functions of the complex variable outside bodies. This fundamental property in potential theory is the consequence that the corresponding functions are harmonic. In gravity and magnetism, potential, field and their derivatives are simple mathematical expressions and correspond to powers of the inverse of the distance for simple source's geometry. The attractive facet of this study is the graphical representation of the anomaly in the complex plane and the determination of the source parameters such as the geometry, dip, and apparent inclination. Gravimetric and magnetic anomalies correspond to loops passing through the origin. The shape of these curves only depends on the geometry of the source. For example, the complex magnetic anomaly of a cylinder has a power of -2 and the loop is a cardioid. For a dyke, the power is -1 and the loop is a circle. The dip of the dyke is represented by a rotation of the circle equal to the dip. In magnetism, the effect of apparent inclination of magnetization and regional field share the same behavior. Hence, it is easily shown that for a tilted dyke, the dip and the apparent inclination have the same effect on the function. Consequently, with data, it is not possible, to compute one of the two parameters without knowing the other. The effect of interaction between anomalies is determined by the division of a complex anomaly by its maximum value. The interaction creates an asymmetry of the complex function with respect to the real axis. To use these new complex functions for real gravimetric or
The potential of critical social theory as an educational framework for people with epilepsy.
Bennett, Louise; Bergin, Michael; Wells, John S G
2016-01-01
Effective education can support people with epilepsy to develop the attributes and skills required to function as equal partners with clinical service providers, make informed decisions, and competently self-manage their healthcare. However, despite knowledge deficits, unmet information needs, and a poor sense of empowerment, the study of education for people with epilepsy is often neglected and is a poorly understood component of holistic practice within epilepsy healthcare. Historically, the only debate with regard to education and people with epilepsy has been guided either within a positivist or within a constructivist philosophy. We argue that new pedagogies are warranted, recognizing the views of people with epilepsy regarding their illness. Therefore, this paper explores the potential of an educational framework for people with epilepsy based upon critical social theory (CST). By utilizing a CST approach for education, people with epilepsy are engaged with as active 'participants'. This is a key difference that distinguishes CST from other metatheoretical frameworks. It has the potential to support people with epilepsy to acquire the skills and confidence to manage the biopsychosocial challenges associated with their condition.
Probing Theories of Gravity with Phase Space-Inferred Potentials of Galaxy Clusters
Stark, Alejo; Kern, Nicholas; Gifford, Daniel; Zhao, Gong-Bo; Li, Baojiu; Koyama, Kazuya; Nichol, Robert C
2016-01-01
Modified theories of gravity provide us with a unique opportunity to generate innovative tests of gravity. In Chameleon f(R) gravity, the gravitational potential differs from the weak-field limit of general relativity (GR) in a mass dependent way. We develop a probe of gravity which compares high mass clusters, where Chameleon effects are weak, to low mass clusters, where the effects can be strong. We utilize the escape velocity edges in the radius/velocity phase space to infer the gravitational potential profiles on scales of 0.3-1 virial radii. We show that the escape edges of low mass clusters are enhanced compared to GR, where the magnitude of the difference depends on the background field value |fR0|. We validate our probe using N-body simulations and simulated light cone galaxy data. For a DESI (Dark Energy Spectroscopic Instrument) Bright Galaxy Sample, including observational systematics, projection effects, and cosmic variance, our test can differentiate between GR and Chameleon f(R) gravity models, ...
Wang, Hao; Yang, Weitao
2016-06-14
We developed a new method to calculate the atomic polarizabilities by fitting to the electrostatic potentials (ESPs) obtained from quantum mechanical (QM) calculations within the linear response theory. This parallels the conventional approach of fitting atomic charges based on electrostatic potentials from the electron density. Our ESP fitting is combined with the induced dipole model under the perturbation of uniform external electric fields of all orientations. QM calculations for the linear response to the external electric fields are used as input, fully consistent with the induced dipole model, which itself is a linear response model. The orientation of the uniform external electric fields is integrated in all directions. The integration of orientation and QM linear response calculations together makes the fitting results independent of the orientations and magnitudes of the uniform external electric fields applied. Another advantage of our method is that QM calculation is only needed once, in contrast to the conventional approach, where many QM calculations are needed for many different applied electric fields. The molecular polarizabilities obtained from our method show comparable accuracy with those from fitting directly to the experimental or theoretical molecular polarizabilities. Since ESP is directly fitted, atomic polarizabilities obtained from our method are expected to reproduce the electrostatic interactions better. Our method was used to calculate both transferable atomic polarizabilities for polarizable molecular mechanics' force fields and nontransferable molecule-specific atomic polarizabilities.
Dynamical changes of the polar cap potential structure: an information theory approach
Directory of Open Access Journals (Sweden)
I. Coco
2011-10-01
Full Text Available Some features, such as vortex structures often observed through a wide spread of spatial scales, suggest that ionospheric convection is turbulent and complex in nature. Here, applying concepts from information theory and complex system physics, we firstly evaluate a pseudo Shannon entropy, H, associated with the polar cap potential obtained from the Super Dual Auroral Radar Network (SuperDARN and, then, estimate the degree of disorder and the degree of complexity of ionospheric convection under different Interplanetary Magnetic Field (IMF conditions. The aforementioned quantities are computed starting from time series of the coefficients of the 4th order spherical harmonics expansion of the polar cap potential for three periods, characterised by: (i steady IMF B_{z} > 0, (ii steady IMF B_{z} < 0 and (iii a double rotation from negative to positive and then positive to negative B_{z}. A neat dynamical topological transition is observed when the IMF B_{z} turns from negative to positive and vice versa, pointing toward the possible occurrence of an order/disorder phase transition, which is the counterpart of the large scale convection rearrangement and of the increase of the global coherence. This result has been confirmed by applying the same analysis to a larger data base of about twenty days of SuperDARN data, allowing to investigate the role of IMF B_{y} too.
Caldwell, Kate; Harris, Sarah Parker; Renko, Maija
2012-12-01
Contemporary policy encourages self-employment and entrepreneurship as a vehicle for empowerment and self-sufficiency among people with disabilities. However, such encouragement raises important citizenship questions concerning the participation of people with intellectual and developmental disabilities (IDD). As an innovative strategy for addressing pressing social and economic problems, "social entrepreneurship" has become a phrase that is gaining momentum in the IDD community--one that carries with it a very distinct history. Although social entrepreneurship holds the potential to be an empowering source of job creation and social innovation, it also has the potential to be used to further disenfranchise this marginalized population. It is crucial that in moving forward society takes care not to perpetuate existing models of oppression, particularly in regard to the social and economic participation of people with IDD. The conceptual tools addressed in this article can inform the way that researchers, policymakers, and practitioners approach complex issues, such as social entrepreneurship, to improve communication among disciplines while retaining an integral focus on rights and social justice by framing this issue within citizenship theory.
Kulessa, B.; Chandler, D.; Revil, A.; Essery, R.
2012-09-01
We have developed a new theory and numerical model of electrical self-potential (SP) signals associated with unsaturated flow in melting snow. The model is applicable to continuous natural melt as well as transient flow phenomena such as meltwater pulses and is tested using laboratory column experiments. SP signals fundamentally depend on the temporal evolution of snow porosity and meltwater flux, electrical conductivity (EC), and pH. We infer a reversal of the sign of the zeta potential (a fundamental electrical property of grain surfaces in porous media) consistent with well-known elution sequences of ions that cause progressive increases and decreases in meltwater pH and EC, respectively. Injection of fully melted snow samples, containing the entire natural range of ions, into melting snow columns caused additional temporary reversals of the sign of the zeta potential. Widely used empirical relationships between effective saturation, meltwater fraction, EC, and pH, as well as snow porosity, grain size, and permeability, are found to be robust for modeling purposes. Thus nonintrusive SP measurements can serve as proxies for snow meltwater fluxes and the temporal evolution of fundamental snow textural, hydraulic, or water quality parameters. Adaptation of automated multisensor SP acquisition technology from other environmental applications thus promises to bridge the widely acknowledged gap in spatial scales between satellite remote sensing and point measurements of snow properties. SP measurements and modeling may therefore contribute to solving a wide range of problems related to the assessment of water resource availability, avalanche or flood risk, or the amplification of climatic forcing of ice shelf, ice sheet, or glacier dynamics.
Hwang, Sungmin
2017-03-01
We present our calculation of the non-relativistic corrections to the heavy quark-antiquark potential up to leading and next-to-leading order (NLO) via the effective string theory (EST). Full systematics of effective field theory (EFT) are discussed in order for including the NLO contribution that arises in the EST. We also show how the number of dimensionful parameters arising from the EST are reduced by the constraints between the Wilson coeffcients from non-relativistic EFTs for QCD.
Institute of Scientific and Technical Information of China (English)
Liu Zi-Xin; Wen Sheng-Hui; Li Ming
2008-01-01
A combination of the iterative perturbation theory (ITP) of the dynamical mean field theory (DMFT) and coherent-potential approximation (CPA) is generalized to the double exchange model with orbital degeneracy. The Hubbard interaction and the off-diagonal components for the hopping matrix tmnijn(m≠n) are considered in our calculation of spectrum and optical conductivity. The numerical results show that the effects of the non-diagonal hopping matrix elements are important.
Hughes, Adam P.; Thiele, Uwe; Archer, Andrew J.
2017-02-01
For a film of liquid on a solid surface, the binding potential g(h) gives the free energy as a function of the film thickness h and also the closely related (structural) disjoining pressure Π =-∂g /∂h . The wetting behaviour of the liquid is encoded in the binding potential and the equilibrium film thickness corresponds to the value at the minimum of g(h). Here, the method we developed in the work of Hughes et al. [J. Chem. Phys. 142, 074702 (2015)], and applied with a simple discrete lattice-gas model, is used with continuum density functional theory (DFT) to calculate the binding potential for a Lennard-Jones fluid and other simple liquids. The DFT used is based on fundamental measure theory and so incorporates the influence of the layered packing of molecules at the surface and the corresponding oscillatory density profile. The binding potential is frequently input in mesoscale models from which liquid drop shapes and even dynamics can be calculated. Here we show that the equilibrium droplet profiles calculated using the mesoscale theory are in good agreement with the profiles calculated directly from the microscopic DFT. For liquids composed of particles where the range of the attraction is much less than the diameter of the particles, we find that at low temperatures g(h) decays in an oscillatory fashion with increasing h, leading to highly structured terraced liquid droplets.
Giesbertz, K J H
2015-08-07
A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classification of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classification of the non-uniqueness of the non-local potential in 1RDM functional theory can be given for the first time.
Van Strien, Jan W; Isbell, Lynne A
2017-04-07
Studies of event-related potentials in humans have established larger early posterior negativity (EPN) in response to pictures depicting snakes than to pictures depicting other creatures. Ethological research has recently shown that macaques and wild vervet monkeys respond strongly to partially exposed snake models and scale patterns on the snake skin. Here, we examined whether snake skin patterns and partially exposed snakes elicit a larger EPN in humans. In Task 1, we employed pictures with close-ups of snake skins, lizard skins, and bird plumage. In task 2, we employed pictures of partially exposed snakes, lizards, and birds. Participants watched a random rapid serial visual presentation of these pictures. The EPN was scored as the mean activity (225-300 ms after picture onset) at occipital and parieto-occipital electrodes. Consistent with previous studies, and with the Snake Detection Theory, the EPN was significantly larger for snake skin pictures than for lizard skin and bird plumage pictures, and for lizard skin pictures than for bird plumage pictures. Likewise, the EPN was larger for partially exposed snakes than for partially exposed lizards and birds. The results suggest that the EPN snake effect is partly driven by snake skin scale patterns which are otherwise rare in nature.
Random matrix theory of unquenched two-colour QCD with nonzero chemical potential
Akemann, G; Phillips, M J; Wettig, T
2010-01-01
We solve a random two-matrix model with two real asymmetric matrices whose primary purpose is to describe certain aspects of quantum chromodynamics with two colours and dynamical fermions at nonzero quark chemical potential mu. In this symmetry class the determinant of the Dirac operator is real but not necessarily positive. Despite this sign problem the unquenched matrix model remains completely solvable and provides detailed predictions for the Dirac operator spectrum in two different physical scenarios/limits: (i) the epsilon-regime of chiral perturbation theory at small mu, where mu^2 multiplied by the volume remains fixed in the infinite-volume limit and (ii) the high-density regime where a BCS gap is formed and mu is unscaled. We give explicit examples for the complex, real, and imaginary eigenvalue densities including Nf=2 non-degenerate flavours. Whilst the limit of two degenerate masses has no sign problem and can be tested with standard lattice techniques, we analyse the severity of the sign problem...
The potential of speech act theory for New Testament exegesis: Some basic concepts
Directory of Open Access Journals (Sweden)
J. E. Botha
1991-01-01
Full Text Available Exegetes and biblical scholars are increasingly utilising the precepts of modern literary and linguistic theories in dealing with the text of the Bible. Speech act theory as well offers New Testament exegesis some additional ways and means of approaching the text of the New Testament. This first in a series of two articles making a plea for the continued utilisation and application of this theory to the text of the New Testament, offers a brief discussion of the basic principles of the theory.
Kalyuzhnyi, Y V; Marshall, B D; Chapman, W G; Cummings, P T
2013-07-28
We propose a second-order version of the resummed thermodynamic perturbation theory for patchy colloidal models with arbitrary number of multiply bondable patches. The model is represented by the hard-sphere fluid system with several attractive patches on the surface and resummation is carried out to account for blocking effects, i.e., when the bonding of a particle restricts (blocks) its ability to bond with other particles. The theory represents an extension of the earlier proposed first order resummed thermodynamic perturbation theory for central force associating potential and takes into account formation of the rings of the particles. In the limiting case of singly bondable patches (total blockage), the theory reduces to Wertheim thermodynamic perturbation theory for associating fluids. Closed-form expressions for the Helmholtz free energy, pressure, internal energy, and chemical potential of the model with an arbitrary number of equivalent doubly bondable patches are derived. Predictions of the theory for the model with two patches appears to be in a very good agreement with predictions of new NVT and NPT Monte Carlo simulations, including the region of strong association.
Higgs potential from extended Brans-Dicke theory and the time-evolution of the fundamental constants
Sola, Joan; Khodam-Mohammadi, A
2016-01-01
Despite the enormous significance of the Higgs potential in the context of the Standard Model of electroweak interactions and in Grand Unified Theories, its ultimate origin is fundamentally unknown and must be introduced by hand in accordance with the underlying gauge symmetry and the requirement of renormalizability. Here we propose a more physical motivation for the structure of the Higgs potential, which we link to gravity, and more specifically to an extended Brans-Dicke (BD) theory containing two interacting scalar fields. One of these fields is coupled to curvature as in the BD formulation, whereas the other is coupled to gravity both derivatively and non-derivatively through the curvature scalar and the Ricci tensor. By requiring that the cosmological solutions of the model are consistent with observations, we show that the effective scalar field potential adopts the Higgs potential form with a mildly time-evolving vacuum expectation value. Such residual vacuum dynamics could be responsible for the pos...
Pineda, Evan Jorge; Waas, Anthony M.
2013-01-01
A thermodynamically-based work potential theory for modeling progressive damage and failure in fiber-reinforced laminates is presented. The current, multiple-internal state variable (ISV) formulation, referred to as enhanced Schapery theory (EST), utilizes separate ISVs for modeling the effects of damage and failure. Consistent characteristic lengths are introduced into the formulation to govern the evolution of the failure ISVs. Using the stationarity of the total work potential with respect to each ISV, a set of thermodynamically consistent evolution equations for the ISVs are derived. The theory is implemented into a commercial finite element code. The model is verified against experimental results from two laminated, T800/3900-2 panels containing a central notch and different fiber-orientation stacking sequences. Global load versus displacement, global load versus local strain gage data, and macroscopic failure paths obtained from the models are compared against the experimental results.
Energy Technology Data Exchange (ETDEWEB)
Wolf, C. [North Adams State College, MA (United States)
1993-02-01
We study the screening of a central Abelian dyon by a surrounding dyon cloud in a two potential theory of electromagnetism. A generalized formula for the Debye screening length is obtained and a Thomas - Fermi Model for a charged cloud surrounding a central Dyonic Core is studied. 20 refs.
Xin, W; Xin, Wang; Jiarong, Li
2000-01-01
Within the real-time formalism (RTF) of thermal field theory,we apply the hard thermal loop (HTL) resummation technique to calculating effective two-loop thermodynamic potential in quark-gluon plasma (QGP) and its renormalization. The result with collective effects is obtained, which is valid for an arbitrary number of quark flavors with masses.
Chedzoy, S. M.; Burden, R. L.
2007-01-01
This study explores the potential contribution of the Theory of Planned Behaviour (TPB) to our understanding of student teachers' strength of intention to teach dance prior to and following an intensive eight-hour module before beginning their school-based practice. Students attending a primary Postgraduate Certificate in Education Course (PGCE)…
Howarth, Caroline
2006-03-01
Following Moscovici (1972), this paper addresses the questions: What is the aim of research within a social representations perspective? Is it to support or to criticize the social order? Is it to consolidate or transform it? After a brief overview of social representations theory, I argue that while the theory appears to have the conceptual tools to begin this critical task, there are serious criticisms and points of underdevelopment that need addressing. In order for social representations theory to develop into a rigorously critical theory there are three controversial issues that require clarification. These are (a) the relationship between psychological processes and social practices, (b) the reification and legitimization of different knowledge systems, and (c) agency and resistance in the co-construction of self-identity. After discussing each issue in turn, with illustrations from research on racializing representations, I conclude the paper with a discussion of the role of representations in the ideological construction and contestation of reality.
Energy Technology Data Exchange (ETDEWEB)
Navratil, P; Caurier, E
2003-10-14
The authors calculate properties of A = 6 system using the accurate charge-dependent nucleon-nucleon (NN) potential at fourth order of chiral perturbation theory. By application of the ab initio no-core shell model (NCSM) and a variational calculation in the harmonic oscillator basis with basis size up to 16 {h_bar}{Omega} they obtain the {sup 6}Li binding energy of 28.5(5) MeV and a converged excitation spectrum. Also, they calculate properties of {sup 10}B using the same NN potential in a basis space of up to 8 {h_bar}{Omega}. The results are consistent with results obtained by standard accurate NN potentials and demonstrate a deficiency of Hamiltonians consisting of only two-body terms. At this order of chiral perturbation theory three-body terms appear. It is expected that inclusion of such terms in the Hamiltonian will improve agreement with experiment.
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
We complete the derivation of the Cornwall-Jackiw-Tomboulis effective potential for quark propagator at finite temperature and finite quark chemical potential in the real-time formalism of thermal field theory and in Landau gauge. In the approximation that the function A(p2) in inverse quark propagator is replaced by unity, by means of the running gauge coupling and the quark mass function invariant under the renormalization group in zero temperature Quantum Chromadynamics (QCD), we obtain a calculable expression for the thermal effective potential, which will be a useful means to research chiral phase transition in QCD in the real-time formalism.
Andrade, Xavier
2011-01-01
We propose a new approach to approximate the exchange and correlation (XC) functional in density functional theory. The XC potential is considered as an electrostatic potential, generated by a fictitious XC density, which is in turn a functional of the electronic density. We apply the approach to develop a correction scheme that fixes the asymptotic behavior of any approximated XC potential for finite systems. Additionally, the correction procedure gives the value of the derivative discontinuity; therefore it can directly predict the fundamental gap as a ground-state property.
Directory of Open Access Journals (Sweden)
Hwang Sungmin
2017-01-01
Full Text Available We present our calculation of the non-relativistic corrections to the heavy quark-antiquark potential up to leading and next-to-leading order (NLO via the effective string theory (EST. Full systematics of effective field theory (EFT are discussed in order for including the NLO contribution that arises in the EST. We also show how the number of dimensionful parameters arising from the EST are reduced by the constraints between the Wilson coeffcients from non-relativistic EFTs for QCD.
Nolting, W.; Geipel, G.; Ertl, K.
1991-12-01
A theory of Auger-electron spectroscopy (AES) and appearance-potential spectroscopy (APS) is presented for interacting electrons in a nondegenerate energy band, described within the framework of the Hubbard model. Both types of spectroscopy are based on the same two-particle spectral density. A diagrammatic vertex-correction method (Matsubara formalism) is used to express this function in terms of the one-particle spectral density. The latter is approximately determined for arbitrary temperature T, arbitrary coupling strength U/W (U, the intra-atomic Coulomb matrix element; W, the width of the ``free'' Bloch band), and arbitrary band occupations n (0QDOS) in relation to the Bloch density of states (BDOS), where, however, spontaneous magnetic order is excluded, irrespective of the band filling n. The AE (AP) spectra consist of only one structure a few eV wide (``bandlike'') which is strongly n dependent, but only slightly T dependent, being rather well approximated by a simple self-convolution of the occupied (unoccupied) QDOS. For strongly correlated electrons the Bloch band splits into two quasiparticle subbands. This leads for n1. For sufficiently strong correlations U/W additional satellites appear that refer to situations where the two excited quasiparticles (quasiholes) propagate as tightly bound pairs through the lattice without being scattered by other charge carriers. As soon as the satellite splits off from the bandlike part of the spectrum, it takes almost the full spectral weight, conveying the impression of an ``atomiclike'' AE (AP) line shape. The satellite has almost exactly the structure of the free BDOS. If the particle density n as well as the hole density 2-n exceed certain critical values determined by U/W and the BDOS ρ0(E), spontaneous ferromagnetism becomes possible in the strongly correlated electron band. The magnetic phase transition gives rise to a distinctive T dependence for the QDOS and hence also for the AE and AP line shapes
Trejos, Víctor M; Gil-Villegas, Alejandro
2012-05-14
Thermodynamic properties of quantum fluids are described using an extended version of the statistical associating fluid theory for potentials of variable range (SAFT-VR) that takes into account quantum corrections to the Helmholtz free energy A, based on the Wentzel-Kramers-Brillouin approximation. We present the theoretical background of this approach (SAFT-VRQ), considering two different cases depending on the continuous or discontinuous nature of the particles pair interaction. For the case of continuous potentials, we demonstrate that the standard Wigner-Kirkwood theory for quantum fluids can be derived from the de Broglie-Bohm formalism for quantum mechanics that can be incorporated within the Barker and Henderson perturbation theory for liquids in a straightforward way. When the particles interact via a discontinuous pair potential, the SAFT-VR method can be combined with the perturbation theory developed by Singh and Sinha [J. Chem. Phys. 67, 3645 (1977); and ibid. 68, 562 (1978)]. We present an analytical expression for the first-order quantum perturbation term for a square-well potential, and the theory is applied to model thermodynamic properties of hydrogen, deuterium, neon, and helium-4. Vapor-liquid equilibrium, liquid and vapor densities, isochoric and isobaric heat capacities, Joule-Thomson coefficients and inversion curves are predicted accurately with respect to experimental data. We find that quantum corrections are important for the global behavior of properties of these fluids and not only for the low-temperature regime. Predictions obtained for hydrogen compare very favorably with respect to cubic equations of state.
Trejos, Víctor M.; Gil-Villegas, Alejandro
2012-05-01
Thermodynamic properties of quantum fluids are described using an extended version of the statistical associating fluid theory for potentials of variable range (SAFT-VR) that takes into account quantum corrections to the Helmholtz free energy A, based on the Wentzel-Kramers-Brillouin approximation. We present the theoretical background of this approach (SAFT-VRQ), considering two different cases depending on the continuous or discontinuous nature of the particles pair interaction. For the case of continuous potentials, we demonstrate that the standard Wigner-Kirkwood theory for quantum fluids can be derived from the de Broglie-Bohm formalism for quantum mechanics that can be incorporated within the Barker and Henderson perturbation theory for liquids in a straightforward way. When the particles interact via a discontinuous pair potential, the SAFT-VR method can be combined with the perturbation theory developed by Singh and Sinha [J. Chem. Phys. 67, 3645 (1977); Singh and Sinha J. Chem. Phys. 68, 562 (1978)]. We present an analytical expression for the first-order quantum perturbation term for a square-well potential, and the theory is applied to model thermodynamic properties of hydrogen, deuterium, neon, and helium-4. Vapor-liquid equilibrium, liquid and vapor densities, isochoric and isobaric heat capacities, Joule-Thomson coefficients and inversion curves are predicted accurately with respect to experimental data. We find that quantum corrections are important for the global behavior of properties of these fluids and not only for the low-temperature regime. Predictions obtained for hydrogen compare very favorably with respect to cubic equations of state.
Cembran, Alessandro; Song, Lingchun; Mo, Yirong; Gao, Jiali
2009-10-13
A multistate density functional theory in the framework of the valence bond model is described. The method is based on a block-localized density functional theory (BLDFT) for the construction of valence-bond-like diabatic electronic states and is suitable for the study of electron transfer reactions and for the representation of reactive potential energy surfaces. The method is equivalent to a valence bond theory with the treatment of the localized configurations by using density functional theory (VBDFT). In VBDFT, the electron densities and energies of the valence bond states are determined by BLDFT. A functional estimate of the off-diagonal matrix elements of the VB Hamiltonian is proposed, making use of the overlap integral between Kohn-Sham determinants and the exchange-correlation functional for the ground state substituted with the transition (exchange) density. In addition, we describe an approximate approach, in which the off-diagonal matrix element is computed by wave function theory using block-localized Kohn-Sham orbitals. The key feature is that the electron density of the adiabatic ground state is not directly computed nor used to obtain the ground-state energy; the energy is determined by diagonalization of the multistate valence bond Hamiltonian. This represents a departure from the standard single-determinant Kohn-Sham density functional theory. The multistate VBDFT method is illustrated by the bond dissociation of H2+ and a set of three nucleophilic substitution reactions in the DBH24 database. In the dissociation of H2+, the VBDFT method yields the correct asymptotic behavior as the two protons stretch to infinity, whereas approximate functionals fail badly. For the S(N)2 nucleophilic substitution reactions, the hybrid functional B3LYP severely underestimates the barrier heights, while the approximate two-state VBDFT method overcomes the self-interaction error, and overestimates the barrier heights. Inclusion of the ionic state in a three
Gripshover, Sarah J; Markman, Ellen M
2013-08-01
In two experiments, we used a novel approach to educating young children about nutrition. Instead of teaching simple facts, we provided a rich conceptual framework that helped children understand the need to eat a variety of healthy foods. Using the insight that children's knowledge can be organized into coherent belief systems, or intuitive theories, we (a) analyzed the incipient knowledge that guides young children's reasoning about the food-body relationship, (b) identified the prerequisites that children need to conceptualize food as a source of nutrition, and (c) devised a strategy for teaching young children a coherent theory of food as a source of diverse nutrients. In these two experiments, we showed that children can learn and generalize this conceptual framework. Moreover, this learning led children to eat more vegetables at snack time. Our findings demonstrate that young children can benefit from an intervention that capitalizes on their developing intuitive theories about nutrition.
The potential of using quantum theory to build models of cognition.
Wang, Zheng; Busemeyer, Jerome R; Atmanspacher, Harald; Pothos, Emmanuel M
2013-10-01
Quantum cognition research applies abstract, mathematical principles of quantum theory to inquiries in cognitive science. It differs fundamentally from alternative speculations about quantum brain processes. This topic presents new developments within this research program. In the introduction to this topic, we try to answer three questions: Why apply quantum concepts to human cognition? How is quantum cognitive modeling different from traditional cognitive modeling? What cognitive processes have been modeled using a quantum account? In addition, a brief introduction to quantum probability theory and a concrete example is provided to illustrate how a quantum cognitive model can be developed to explain paradoxical empirical findings in psychological literature.
Potential Energy Surface in Hartree-Fock Theory:Adiabatic or Configuration-Constrained?
Institute of Scientific and Technical Information of China (English)
GUO Lu; Sakata Fumihiko; ZHAO En-Guang
2004-01-01
Validity of adiabatic assumption is discussed within the constrained Hartree-Fock theory for self-conjugate nucleus 72Kr. It is shown that the adiabatic assumption does not provide a correct description for the nature of nucleus when a configuration change is involved. The excited Hartree-Fock states and the continuously-connected constrained Hartree-Fock states are given for the first time by applying the configuration dictated constrained Hartree-Fock theory with Gogny force. The importance of self-consistency between the mean-field and the single particle wave functions is emphasized even when a small number of nucleons are involved in the configuration change.
Quasi-potential and Two-Scale Large Deviation Theory for Gillespie Dynamics
Li, Tiejun
2016-01-07
The construction of energy landscape for bio-dynamics is attracting more and more attention recent years. In this talk, I will introduce the strategy to construct the landscape from the connection to rare events, which relies on the large deviation theory for Gillespie-type jump dynamics. In the application to a typical genetic switching model, the two-scale large deviation theory is developed to take into account the fast switching of DNA states. The comparison with other proposals are also discussed. We demonstrate different diffusive limits arise when considering different regimes for genetic translation and switching processes.
Peskin, Uri; Moiseyev, Nimrod
1992-11-01
The complex coordinate scattering theory for the calculation of T-matrix elements, as was introduced by Engdahl, Moiseyev, and Maniv [J. Chem. Phys. 94, 1636 (1991)] and by Peskin and Moiseyev [J. Chem. Phys. 96, 2347 (1992)], is shown to satisfy the complex version of the Kohn variational principle introduced by Nuttall and Cohen [Phys. Rev. 188, 1542 (1969)]. This theory and the related S-matrix version of the Kohn variational principle, developed by Zhang, Chu, and Miller [J. Chem. Phys. 88, 6233, (1988)] are combined to formulate a generalized variational basis set approach for quantum scattering calculations. In this approach the Kohn variational procedure to optimize the linear parameters in the T matrix is followed by an optimization of the complex nonlinear parameters. This enables the application of the complex coordinate analytical continuation of the T matrix to the calculation of scattering probability amplitudes for long range potentials. Illustrating numerical applications to short and long range potentials are given.
DEFF Research Database (Denmark)
Pennington, Robert S.
to analyze diffraction effects on the amplitude and the phase. There is relatively good comparison between image simulation and experimental data, but the experimental absorption parameter is found to differ between strongly and weakly diffracting conditions. Density functional theory simulations of the mean...
[Review of studies on generalized self-efficacy and the explanatory potential of epigenetic theory].
Miyoshi, Akiko; Ono, Hisashi
2011-02-01
In this article, we review studies of generalized self-efficacy (GSE) involving the characteristics, measurement, changes, and formation of GSE. We discuss controversial issues regarding developmental changes in GSE, such as the age at which GSE develops and becomes established, and its causal direction, i.e., does task-specific self-efficacy have an effect on GSE, or does GSE have an effect on task-specific self-efficacy. We suggest that studies of GSE should be designed to address these questions. Since it is possible to study the long-term development of GSE using epigenetic theory, we suggest that this theory should be the theoretical framework for GSE studies. GSE studies would also benefit from consideration of the theory of competence (concept of virtue) based on the perspective of healthy ego-development. Moreover, not only positive aspects of GSE, but also negative aspects, such as over-aspiration, should be investigated. We conclude that multifaceted studies of GSE based on theories of personality development should be undertaken.
Heinz, Bettina
More than a decade after the provocative writings of French feminist writers Julie Kristeva, Luce Irigaray, Helene Cixous, and Monique Wittig first appeared, the exploration of sexual and gender differences continues to draw controversy. Their work has been considered mostly in regard to literature, philosophy, and feminist theory, but their…
Understanding responses to feedback: the potential and limitations of regulatory focus theory.
Watling, C.; Driessen, E.; Vleuten, C.P.M. van der; Vanstone, M.; Lingard, L.
2012-01-01
OBJECTIVES: Regulatory focus theory posits the existence of two systems of self-regulation underlying human motivation: promotion focus, which is concerned with aspirations and accomplishments, and prevention focus, which is concerned with obligations and responsibilities. It has been proposed that
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
For a special use a new modelling method of evaluating external disturbing potential is presented in this paper. Being different from classical methods in physical geodesy this method is grounded upon the theory of unified representation of gravitational field. The models created in this way are particularly satisfactory for a high-speed computation of gravitational field in low altitude because they take account of topographic effects and have their kernel functions with simple structure and weak singularity.
Akemann, G; Bloch, J; Shifrin, L; Wettig, T
2008-01-25
We analyze how individual eigenvalues of the QCD Dirac operator at nonzero quark chemical potential are distributed in the complex plane. Exact and approximate analytical results for both quenched and unquenched distributions are derived from non-Hermitian random matrix theory. When comparing these to quenched lattice QCD spectra close to the origin, excellent agreement is found for zero and nonzero topology at several values of the quark chemical potential. Our analytical results are also applicable to other physical systems in the same symmetry class.
Past and Potential Theory for Special Warfare Operational Art: People’s War and Contentious Politics
2015-03-04
explanatory, continue to inform present day thought. Theories of popular revolt and revolution dating back to Jean-Jacques Rousseau , Alexis de Tocqueville...everywhere he is in chains,” alleged Jean-Jacques Rousseau in his opening to The Social Contract.105 Rousseau’s two enduring contributions to contentious...community was heeded with brutality by French revolutionaries, Rousseau himself did not believe all revolt had to occur by force, only that it had
Ruggenthaler, Michael; Penz, Markus; van Leeuwen, Robert
2015-05-27
In this work we review the mapping from densities to potentials in quantum mechanics, which is the basic building block of time-dependent density-functional theory and the Kohn-Sham construction. We first present detailed conditions such that a mapping from potentials to densities is defined by solving the time-dependent Schrödinger equation. We specifically discuss intricacies connected with the unboundedness of the Hamiltonian and derive the local-force equation. This equation is then used to set up an iterative sequence that determines a potential that generates a specified density via time propagation of an initial state. This fixed-point procedure needs the invertibility of a certain Sturm-Liouville problem, which we discuss for different situations. Based on these considerations we then present a discussion of the famous Runge-Gross theorem which provides a density-potential mapping for time-analytic potentials. Further we give conditions such that the general fixed-point approach is well-defined and converges under certain assumptions. Then the application of such a fixed-point procedure to lattice Hamiltonians is discussed and the numerical realization of the density-potential mapping is shown. We conclude by presenting an extension of the density-potential mapping to include vector-potentials and photons.
Elcoro, Luis; Etxebarria, Jesus
2011-01-01
The requirement of rotational invariance for lattice potential energies is investigated. Starting from this condition, it is shown that the Cauchy relations for the elastic constants are fulfilled if the lattice potential is built from pair interactions or when the first-neighbour approximation is adopted. This is seldom recognized in widely used…
Higgs potential from extended Brans–Dicke theory and the time-evolution of the fundamental constants
Solà, Joan; Karimkhani, Elahe; Khodam-Mohammadi, A.
2017-01-01
Despite the enormous significance of the Higgs potential in the context of the standard model of electroweak interactions and in grand unified theories, its ultimate origin is fundamentally unknown and must be introduced by hand in accordance with the underlying gauge symmetry and the requirement of renormalizability. Here we propose a more physical motivation for the structure of the Higgs potential, which we derive from a generalized Brans–Dicke (BD) theory containing two interacting scalar fields. One of these fields is coupled to curvature as in the BD formulation, whereas the other is coupled to gravity both derivatively and non-derivatively through the curvature scalar and the Ricci tensor. By requiring that the cosmological solutions of the model are consistent with observations, we show that the effective scalar field potential adopts the Higgs potential form with a mildly time-evolving vacuum expectation value. This residual vacuum dynamics could be responsible for the possible time variation of the fundamental constants, and is reminiscent of former Bjorken’s ideas on the cosmological constant problem.
Hahn, Y. K.
2014-12-01
The self-consistent field theory of collisions is formulated, incorporating the unique dynamics generated by the self-averaged potentials. The bound state Hartree-Fock approach is extended for the first time to scattering states, by properly resolving the principal difficulties of non-integrable continuum orbitals and imposing complex asymptotic conditions. The recently developed asymptotic source theory provides the natural theoretical basis, as the asymptotic conditions are completely transferred to the source terms and the new scattering function is made fullyintegrable. The scattering solutions can then be directly expressed in terms of bound state HF configurations, establishing the relationship between the bound and scattering state solutions. Alternatively, the integrable spin orbitals are generated by constructing the individual orbital equations that contain asymptotic sources and self-averaged potentials. However, the orbital energies are not determined by the equations, and a special channel energy fixing procedure is developed to secure the solutions. It is also shown that the variational construction of the orbital equations has intrinsic ambiguities that are generally associated with the self-consistent approach. On the other hand, when a small subset of open channels is included in the source term, the solutions are only partiallyintegrable, but the individual open channels can then be treated more simply by properly selecting the orbital energies. The configuration mixing and channel coupling are then necessary to complete the solution. The new theory improves the earlier continuum HF model.
Generalized potentials for a mean-field density functional theory of a three-phase contact line
Lin, Chang-You; Widom, Michael; Sekerka, Robert F.
2013-07-01
We investigate generalized potentials for a mean-field density functional theory of a three-phase contact line. Compared to the symmetrical potential introduced in our previous article [Phys. Rev. EPLEEE81539-375510.1103/PhysRevE.85.011120 85, 011120 (2012)], the three minima of these potentials form a small triangle located arbitrarily within the Gibbs triangle, which is more realistic for ternary fluid systems. We multiply linear functions that vanish at edges and vertices of the small triangle, yielding potentials in the form of quartic polynomials. We find that a subset of such potentials has simple analytic far-field solutions and is a linear transformation of our original potential. By scaling, we can relate their solutions to those of our original potential. For special cases, the lengths of the sides of the small triangle are proportional to the corresponding interfacial tensions. For the case of equal interfacial tensions, we calculate a line tension that is proportional to the area of the small triangle.
Exploring potentials of sense-making theory for understanding social processes in public hearing
DEFF Research Database (Denmark)
Lyhne, Ivar
authorities and the public in such planning often characterised by conflict. A sense-making framework is developed based on Karl Weick's theory to investigate how participants at the meeting change their understanding aspects like other actors' opinions and the infrastructure project. Through interviews...... and observations it is shown that participants' senses do not change except from a few aspects. The participants at the meeting thus seem stuck in their positions without interest in being open for other interpretations or arguments. The investigation leads to considerations about the benefit and role...
Hirvonen, J; Murtomäki, L; Kontturi, K
1998-12-04
Equations expressing the effect of the diffusion potential on the trace ion transfer across a porous charged membrane have been derived. These equations have been tested with experiments with human cadaver skin. The transfer of sotalol and salicylate was measured varying the salt (NaCl) concentration in the donor and receiver compartments. It appears that osmotic pressure and ion-exchange make a significant contribution to the flux enhancement by the diffusion potential.
Energy Technology Data Exchange (ETDEWEB)
Yao, Jie, E-mail: yjie2@uh.edu [Department of Mechanical Engineering, University of Houston, Houston, Texas 77204 (United States); Lesage, Anne-Cécile; Hussain, Fazle [Department of Mechanical Engineering, Texas Tech University, Lubbock, Texas 79409 (United States); Bodmann, Bernhard G. [Department of Mathematics, University of Houston, Houston, Texas 77204 (United States); Kouri, Donald J. [Department of Physics, University of Houston, Houston, Texas 77204 (United States)
2014-12-15
The reversion of the Born-Neumann series of the Lippmann-Schwinger equation is one of the standard ways to solve the inverse acoustic scattering problem. One limitation of the current inversion methods based on the reversion of the Born-Neumann series is that the velocity potential should have compact support. However, this assumption cannot be satisfied in certain cases, especially in seismic inversion. Based on the idea of distorted wave scattering, we explore an inverse scattering method for velocity potentials without compact support. The strategy is to decompose the actual medium as a known single interface reference medium, which has the same asymptotic form as the actual medium and a perturbative scattering potential with compact support. After introducing the method to calculate the Green’s function for the known reference potential, the inverse scattering series and Volterra inverse scattering series are derived for the perturbative potential. Analytical and numerical examples demonstrate the feasibility and effectiveness of this method. Besides, to ensure stability of the numerical computation, the Lanczos averaging method is employed as a filter to reduce the Gibbs oscillations for the truncated discrete inverse Fourier transform of each order. Our method provides a rigorous mathematical framework for inverse acoustic scattering with a non-compact support velocity potential.
Harrington, D M; Block, J H; Block, J
1987-04-01
Longitudinal data involving 106 children and their parents were used to test preschool child-rearing implications of Carl Rogers's theory of creativity-fostering environments (Rogers, 1954). Indices were developed for each parent and for each mother-father combination that reflected the degree to which the parents' child-rearing practices and interactions with their preschool children matched the recommendations implicit in Rogers's description of a creativity-fostering environment. The three indices of Rogers-prescribed child-rearing practices each correlated positively (rs = .38 to .46) and significantly (all ps less than .001) with a composite index of creative potential in early adolescence, 7 to 11 years later. Rogers-prescribed preschool child-rearing practices also emerged as significant antecedents of adolescent creative potential in regression/path analyses that held constant the influence of sex, preschool intelligence, and preschool creative potential. Theoretical and methodological aspects of the study are discussed.
Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Taylor, Peter R.
1989-01-01
Recent advances in electronic structure theory and the availability of high speed vector processors have substantially increased the accuracy of ab initio potential energy surfaces. The recently developed atomic natural orbital approach for basis set contraction has reduced both the basis set incompleteness and superposition errors in molecular calculations. Furthermore, full CI calculations can often be used to calibrate a CASSCF/MRCI approach that quantitatively accounts for the valence correlation energy. These computational advances also provide a vehicle for systematically improving the calculations and for estimating the residual error in the calculations. Calculations on selected diatomic and triatomic systems will be used to illustrate the accuracy that currently can be achieved for molecular systems. In particular, the F + H2 yields HF + H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.
Institute of Scientific and Technical Information of China (English)
LI Yun-bo; WU Xiao-yu; MA Yong; WANG Jin-guang
2008-01-01
This research is intended to provide academic reference and design guidance for further studies to determine the most effective means to reduce a ship's resistance through an air-cavity.On the basis of potential theory and on the assumption of an ideal and irrotational fluid,this paper drives a method for calculating air cavity formation using slender ship theory then points out the parameters directly related to the formation of air cavities and their interrelationships.Simulations showed that the formation of an air cavity is affected by cavitation number,velocity,groove geometry and groove size.When the ship's velocity and groove structure are given,the cavitation number must be within range to form a steady air cavity.The interface between air and water forms a wave shape and could be adjustedby an air injection system.
Huang, Chen
2016-03-01
A key element in the density functional embedding theory (DFET) is the embedding potential. We discuss two major issues related to the embedding potential: (1) its non-uniqueness and (2) the numerical difficulty for solving for it, especially for the spin-polarized systems. To resolve the first issue, we extend DFET to finite temperature: all quantities, such as the subsystem densities and the total system's density, are calculated at a finite temperature. This is a physical extension since materials work at finite temperatures. We show that the embedding potential is strictly unique at T > 0. To resolve the second issue, we introduce an efficient iterative embedding potential solver. We discuss how to relax the magnetic moments in subsystems and how to equilibrate the chemical potentials across subsystems. The solver is robust and efficient for several non-trivial examples, in all of which good quality spin-polarized embedding potentials were obtained. We also demonstrate the solver on an extended periodic system: iron body-centered cubic (110) surface, which is related to the modeling of the heterogeneous catalysis involving iron, such as the Fischer-Tropsch and the Haber processes. This work would make it efficient and accurate to perform embedding simulations of some challenging material problems, such as the heterogeneous catalysis and the defects of complicated spin configurations in electronic materials.
Ab initio atom-atom potentials using CamCASP: Theory
Misquitta, Alston J
2015-01-01
Creating accurate, analytic atom-atom potentials for small organic molecules from first principles can be a time-consuming and computationally intensive task, particularly if we also require them to include explicit polarization terms, which are essential in many systems. In this first part of a two-part investigation, we describe how the CamCASP suite of programs can be used to generate such potentials using some of the most accurate electronic structure methods practically applicable. In particular, we introduce a novel approach to determine the short-range anisotropy parameters by a robust method based on the iterated stockholder atoms approach. In the second part of this work we will apply these methods to develop a series of many-body potentials for the pyridine system.
Lemes, N. H. T.; Borges, E.; Sousa, R. V.; Braga, J. P.
Important physical and chemical information can be extracted from scattering experiments data. This kind of problem is usually ill-posed in the sense that one of the three conditions, existence, uniqueness, and continuity, is not satisfied. For example, the inversion of intermolecular potential functions from scattering data, such as experimental cross section, is an ill-posed problem which can be modeled as a Fredholm integral equation. In this work, an inversion method based on recursive neural networks is proposed to solve this inverse quantum scattering problem within the Born approximation. As physical example, the repulsive component of the potential function for the interaction Ar-Ar is obtained from differential cross-section data. The sensitivity of the potential energy function to be inverted, in relation to the differential cross-section data, is also analyzed. The present approach is simple, general, and numerically stable.
Some potential contributions of reinforcement and consumer-demand theory to reducing cocaine use.
Higgins, S T
1996-01-01
Cocaine abuse remains a daunting United States public health problem. Recreational cocaine use is decreasing, but regular use indicative of dependence is stable or increasing. Treatment interventions are often characterized by high rates of early attrition and continued drug use and involve only a small proportion of cocaine users. Hence, more effective and expanded strategies for motivating individuals to forgo or reduce cocaine use are needed. This commentary has a two-part purpose: (a) to underscore the fundamental role of reinforcement in the genesis and maintenance of cocaine use and (b) to illustrate how that knowledge in combination with consumer-demand theory might be translated into effective strategies for reducing cocaine use.
Covariant variational approach to Yang-Mills theory: Effective potential of the Polyakov loop
Quandt, M.; Reinhardt, H.
2016-09-01
We compute the effective action of the Polyakov loop in S U (2 ) and S U (3 ) Yang-Mills theory using a previously developed covariant variational approach. The formalism is extended to background gauge and it is shown how to relate the low-order Green's functions to the ones in Landau gauge studied earlier. The renormalization procedure is discussed. The self-consistent effective action is derived and evaluated using the numerical solution of the gap equation. We find a clear signal for a deconfinement phase transition at finite temperatures, which is second order for S U (2 ) and first order for S U (3 ). The critical temperatures obtained are in reasonable agreement with high-precision lattice data.
Covariant variational approach to Yang-Mills Theory: effective potential of the Polyakov loop
Quandt, Markus
2016-01-01
We compute the effective action of the Polyakov loop in SU(2) and SU(3) Yang-Mills theory using a previously developed covariant variational approach. The formalism is extended to background gauge and it is shown how to relate the low order Green's functions to the ones in Landau gauge studied earlier. The renormalization procedure is discussed. The self-consistent effective action is derived and evaluated using the numerical solution of the gap equation. We find a clear signal for a deconfinement phase transition at finite temperatures, which is second order for SU(2) and first order for SU(3). The critical temperatures obtained are in reasonable agreement with high precision lattice data.
J.W. van Strien (Jan); L.A. Isbell (Lynne A.)
2017-01-01
textabstractStudies of event-related potentials in humans have established larger early posterior negativity (EPN) in response to pictures depicting snakes than to pictures depicting other creatures. Ethological research has recently shown that macaques and wild vervet monkeys respond strongly to pa
New cellobiose Phi-H/Si-H maps are rapidly generated using a mixed basis set DFT method, found to achieve a high level of confidence while reducing computer resources dramatically. Relaxed iso-potential maps are made for different conformational states of cellobiose, showing how glycosidic bond dihe...
Matsui, Toru; Kitagawa, Yasutaka; Shigeta, Yasuteru; Okumura, Mitsutaka
2013-07-09
We propose an accurate scheme to evaluate the redox potential of a wide variety of transition metal complexes by adding a charge-dependent correction term for a counterion around the charged complexes, which is based on Generalized Born theory, to the solvation energy. The mean absolute error (MAE) toward experimental redox potentials of charged complexes is considerably reduced from 0.81 V (maximum error 1.22 V) to 0.22 V (maximum error 0.50 V). We found a remarkable exchange-correlation functional dependence on the results rather than the basis set ones. The combination of Wachters+f (for metal) and 6-31++G(d,p) (for other atoms) with the B3LYP functional gives the least MAE 0.15 V for the test complexes. This scheme is applicable to other solvents, and heavier transition metal complexes such as M1(CO)5(pycn) (M1 = Cr, Mo, W), M2(mnt)2 (M2 = Ni, Pd, Pt), and M3(bpy)3 (M3 = Fe, Ru, Os) with the same quality.
M. Laine; Philipsen, O.(Institut für Theoretische Physik, Goethe-Universität Frankfurt, Max-von-Laue-Str. 1, 60438, Frankfurt am Main, Germany); Tassler, M.
2007-01-01
Recently, a finite-temperature real-time static potential has been introduced via a Schr\\"odinger-type equation satisfied by a certain heavy quarkonium Green's function. Furthermore, it has been pointed out that it possesses an imaginary part, which induces a finite width for the tip of the quarkonium peak in the thermal dilepton production rate. The imaginary part originates from Landau-damping of low-frequency gauge fields, which are essentially classical due to their high occupation number...
Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel
2015-12-15
The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we numerically construct the exact electron-photon Kohn-Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light-matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account.
Development of Socio-Economic Potential of Russia: Theory and Practice
Directory of Open Access Journals (Sweden)
Oleg Sergeyevich Sukharev
2016-03-01
Full Text Available The question of assessing and using the socio-economic potential of Russia is considered within the fundamental monograph prepared on the basis of the Institute of Economics of the Ural Branch of the Russian Academy of Sciences. The main achievements of the large research of the problem of the Russian socio-economic potential conducted by a group of authors with the definition of the most rational and important suggestions for the prospects of the Russian economy are allocated. Certain critical comments are noted, and the author’s position is specified concerning the policy of the new industrialization and innovative development within the modern scientific polemic about the subject and tools of economic policy, and also the need of ensuring it by the system efficiency. The main achievement of the presented teamwork of the scientists of the Ural economic school is the development of a methodological framework and hardware (techniques, models of the diagnostics of the socio-economic potential of the economic system of any level of complexity (despite the main specialization of this school on the regional research and measuring base. These achievements will give the chance of more exact identification of a condition of the system and definition of the direction of its movement, which will make it possible to affect the mode of this dynamics by the economic policy of regional and federal level.
Indian Academy of Sciences (India)
Bhaskar Jyoti Hazarika; D K choudhury
2015-01-01
We use variationally improved perturbation theory (VIPT) for calculating the elastic form factors and charge radii of , $D_{s}$, $B$, $B_{s}$ and $B_{c}$ mesons in a quantum chromodynamics (QCD)-inspired potential model. For that, we use linear-cum-Coulombic potential and opt the Coulombic part first as parent and then the linear part as parent. The results show that charge radii and form factors are quite small for the Coulombic parent compared to the linear parent. Also, the analysis leads to a lower as well as upper bounds on the four-momentum transfer 2, hinting at a workable range of 2 within this approach, which may be useful in future experimental analyses. Comparison of both the options shows that the linear parent is the better option.
Directory of Open Access Journals (Sweden)
Melanie Swan
2010-02-01
Full Text Available Information optimization is a centerpiece phenomenon in the universe. It develops from simplicity, then continuously breaks symmetry and cycles through instability to progress to increasingly dense nodes of complexity and diversity. Intelligence has arisen as the information optimization node with the greatest complexity. A contemporary imbalance is presented in that exponentially growing technology could be poised as a potential sole successor to human intelligence. A complex dynamical system is emerging in response, the engineering of life into technology. Numerous network elements are developing which could self-organize into the next node of symmetry, a phase transition in intelligence.
Mohammad, S. Noor
1988-03-01
A theoretical method for potential distribution in abrupt heterojunctions (HJs) made of uniformly doped degenerate semiconductors has been developed. The method reduces automatically to that in HJs from nondegenerate semiconductors in the limits of low carrier concentrations. For the development of the method the rigid band approximation of degenerate semiconductors has been considered to be valid. The transport equations of Marshak and Van Vliet [Solid-State Electron. 21, 417 (1978)] and an analytical approximation for the Fermi-Dirac integral of order half by the present author [Solid-State Electron. 30, 713 (1987)] have been employed for the formulation. The average of the scattered experimental data for band-gap narrowing of n-Si, n-Ge, p-GaAs, and n-InP have been fitted to the same form as that for the Fermi-Dirac integral of order 1/2 to ease this formulation. Local electrostatic field and local electrostatic potentials obtained from the formulation reduce to those of Chatterjee and Marshak [Solid-State Electron. 24, 1111 (1981)], Cserveny [Int. J. Electron. 25, 65 (1968)], and Kroemer [J. Appl. Phys. 52, 873 (1981)] under special conditions. It is noted that band-gap narrowing and consideration of Fermi-Dirac statistics represent opposite effects for effective intrinsic carrier concentration and local electrostatic field. At some critical concentration belonging to the degenerate limit of a semiconductor, these two effects cancel the influence of each other on effective intrinsic carrier concentration of the semiconductor and on transition region properties of an HJ. Below this critical concentration, band-gap narrowing rather than a consideration of Fermi-Dirac statistics dominantly influences the device properties. However, above this critical concentration, consideration of Fermi-Dirac statistics dominates over the other. Applications of electrostatic field and electrostatic potential to isotype and anisotype HJs have been discussed. On the basis of
Distorted wave theories for dressed-ion-atom collisions with GSZ projectile potentials
Energy Technology Data Exchange (ETDEWEB)
Monti, J M; Rivarola, R D [Instituto de Fisica Rosario (CONICET-UNR) and Facultad de Ciencias Exactas, IngenierIa y Agrimensura, Universidad Nacional de Rosario, Avenida Pellegrini 250, 2000 Rosario (Argentina); Fainstein, P D, E-mail: monti@ifir-conicet.gov.ar [Comision Nacional de EnergIa Atomica, Centro Atomico Bariloche, 8400 San Carlos de Bariloche (Argentina)
2011-10-14
The continuum distorted wave and the continuum distorted wave-eikonal initial state approximations for electron emission in ion-atom collisions are generalized to the case of dressed projectiles. The interaction between the dressed projectile and the active electron is represented by the analytic Green-Sellin-Zachor (GSZ) potential. Doubly differential cross sections as a function of the emitted electron energy and angle are computed. The region of the binary encounter peak is analysed in detail. Interference structures appear in agreement with the experimental data and are interpreted as arising from the coherent interference between short- and long-range scattering amplitudes.
M-theory Potential from the $G_2$ Hitchin Functional in Superspace
Becker, Katrin; Guha, Sunny; Linch, William D; Robbins, Daniel
2016-01-01
We embed the component fields of eleven-dimensional supergravity into a superspace of the form $X\\times Y$ where $X$ is the standard 4D, $N=1$ superspace and $Y$ is a smooth 7-manifold. The eleven-dimensional 3-form gives rise to a tensor hierarchy of superfields gauged by the diffeomorphisms of $Y$. It contains a natural candidate for a $G_2$ structure on $Y$, and being a complex of superforms, defines a superspace Chern-Simons invariant. Adding to this a natural generalization of the Riemannian volume on $X\\times Y$ and freezing the (superspin-$\\frac32$ and 1) supergravity fields on $X$, we obtain an approximation to the eleven-dimensional supergravity action that suffices to compute the scalar potential. In this approximation the action is the sum of the superspace Chern-Simons term and a superspace generalization of the Hitchin functional for $Y$ as a $G_2$-structure manifold. Integrating out auxiliary fields, we obtain the conditions for unbroken supersymmetry and the scalar potential. The latter reprodu...
Applications of control theory to the dynamics and propagation of cardiac action potentials.
Muñoz, Laura M; Stockton, Jonathan F; Otani, Niels F
2010-09-01
Sudden cardiac arrest is a widespread cause of death in the industrialized world. Most cases of sudden cardiac arrest are due to ventricular fibrillation (VF), a lethal cardiac arrhythmia. Electrophysiological abnormalities such as alternans (a beat-to-beat alternation in action potential duration) and conduction block have been suspected to contribute to the onset of VF. This study focuses on the use of control-systems techniques to analyze and design methods for suppressing these precursor factors. Control-systems tools, specifically controllability analysis and Lyapunov stability methods, were applied to a two-variable Karma model of the action-potential (AP) dynamics of a single cell, to analyze the effectiveness of strategies for suppressing AP abnormalities. State-feedback-integral (SFI) control was then applied to a Purkinje fiber simulated with the Karma model, where only one stimulating electrode was used to affect the system. SFI control converted both discordant alternans and 2:1 conduction block back toward more normal patterns, over a wider range of fiber lengths and pacing intervals compared with a Pyragas-type chaos controller. The advantages conferred by using feedback from multiple locations in the fiber, and using integral (i.e., memory) terms in the controller, are discussed.
Efimov, Yuri Ya; Naberukhin, Yuri I
2011-02-01
Potential of hydrogen bond is the function which relates its energy to geometrical parameters of hydrogen bridge: its length R(O…O) and angles between direction O…O and OH group [φ (H-O…O)] and/or lone pair of proton accepting oxygen atom [χ(-O…O)]. Previously we have suggested an approach to design such potentials based on the approximate numerical solution of a reverse problem of the spectrum band shape in the frames of the fluctuation theory of hydrogen bonding. In the given work this method is applied to construction of the two-parameter potentials that depend on parameters {R(O…O), φ (H-O…O} or {φ (H-O…O), χ (-O…O)}. Using them, the spectra of OH vibrations of HOD molecules in a liquid phase are calculated theoretically in good agreement with experiment in the temperature range up to 200 °C. Distributions of angles P(φ, T), P(χ, T), and energies P(E) are calculated also. The same distributions and spectra are independently calculated on the basis of the geometrical parameters of the hydrogen bridges obtained from molecular dynamics models of water. The shapes of the spectral contours and their temperature evolution calculated for computer models turned out to be similar to experimental ones only for the potential that includes the length of H-bond R(O…O).
Mostafazadeh, Ali
2016-01-01
The dynamical formulation of time-independent scattering theory that is developed in [Ann. Phys. (NY) 341, 77-85 (2014)] offers simple formulas for the reflection and transmission amplitudes of finite-range potentials in terms of the solution of an initial-value differential equation. We prove a theorem that simplifies the application of this result and use it to give a complete characterization of the invisible configurations of the truncated $\\mathfrak{z}\\,e^{-2ik_0 x}$ potential to a closed interval, $[0,L]$, with $k_0$ being a positive integer multiple of $\\pi/L$. This reveals a large class of exact unidirectionally and bidirectionally invisible configurations of this potential. The former arise for particular values of $\\mathfrak{z}$ that are given by certain zeros of Bessel functions. The latter occur when the wavenumber $k$ is an integer multiple of $\\pi/L$ but not of $k_0$. We discuss the optical realizations of these configurations and explore spectral singularities of this potential.
Theory of Mind as a potential trait marker of schizophrenia: a family study.
Pentaraki, A D; Stefanis, N C; Stahl, D; Theleritis, C; Toulopoulou, T; Roukas, D; Kaliora, S C; Chatzimanolis, I; Smyrnis, N; Russell, T; Kravariti, E; Murray, R M
2012-01-01
Although there is some evidence that Theory of Mind (ToM) deficits may be trait markers of schizophrenia it is not clear yet if ToM deficits are primary deficits, that is, to be independent of deficits in general intellectual abilities and executive function. The aim was to examine if ToM deficits may be trait markers of the illness and the effect of cognitive inhibition, general intellectual abilities and depression on ToM abilities of patients with schizophrenia and their unaffected parents. We assessed ToM abilities (first-order and second-order ToM stories, The Revised Eyes Test), cognitive inhibition (Stroop Task), general intellectual ability (Standard Progressive Matrices Test Plus) in patients with schizophrenia (N=21) and their unaffected fathers (N=21) and mothers (N=21) in comparison with healthy control families (healthy control males, N=21, healthy control fathers, N=21, healthy control mothers, N=21) Patients showed deficits in first-order ToM tasks but some of these deficits were mediated by general intellectual abilities. Impairments in cognitive inhibition mediated only patients' performance in The Revised Eyes Test. Patients showed deficits in second-order ToM stories independently of deficits in general intellectual abilities and cognitive inhibition. Unaffected parents did not show deficits in first-order ToM tasks, whereas they showed deficits in second-order ToM stories. However, the deficits that unaffected parents showed in second-order ToM stories were mediated by their deficits in general intellectual abilities, and there was an effect of remitted depression on the unaffected mothers' performance. The results suggest that intact neurocognitive and general intellectual abilities are necessary in order patients and their unaffected parents to pass successfully ToM tasks. Patients and their unaffected parents show ToM deficits but these deficits are not similar. Patients show ToM deficits but these deficits seem to be a component of the
Reaction-diffusion theory in the presence of an attractive harmonic potential
Spendier, K.; Sugaya, S.; Kenkre, V. M.
2013-12-01
Problems involving the capture of a moving entity by a trap occur in a variety of physical situations, the moving entity being an electron, an excitation, an atom, a molecule, a biological object such as a receptor cluster, a cell, or even an animal such as a mouse carrying an epidemic. Theoretical considerations have almost always assumed that the particle motion is translationally invariant. We study here the case when that assumption is relaxed, in that the particle is additionally subjected to a harmonic potential. This tethering to a center modifies the reaction-diffusion phenomenon. Using a Smoluchowski equation to describe the system, we carry out a study which is explicit in one dimension but can be easily extended for arbitrary dimensions. Interesting features emerge depending on the relative location of the trap, the attractive center, and the initial placement of the diffusing particle.
A numerical investigation of bubble dynamics based on the potential-flow theory
Institute of Scientific and Technical Information of China (English)
YAO Xiong-liang; ZHANG A-man
2006-01-01
In this paper, the flow field is assumed to be inviscid, irrotational and incompressible,triangular elements are adopted to discretize the boundary of flow field, the boundary integral method is used to solve the flow field and the Mixed-Eulerian-Lagrangian method is applied to simulate the evolution of bubble. Three-dimensional smoothing method is used to smooth the bubble surface and the velocity potential to make the computing process more accurate and stable. In the analysis process,three-dimensional model simulates the dynamics of a bubble in the free field, gravitational field and near the rigid wall respectively, and the calculated results coincide well with the exact results and experimental data, which show that the algorithm and 3D model in this paper are of high accuracy.Calculation process indicates that bubble takes on strong non-linear under the combine effect of gravity and rigid wall.
On the one-loop effective potential in nonlocal supersymmetric theories
de Mello, E R Bezerra; Nascimento, J R; Petrov, A Yu
2016-01-01
Within the superfield approach, we consider the nonlocal generalization of the Wess-Zumino model and calculate the one-loop low-energy contributions to the effective action. Four different nonlocal models are considered, among which only the first model does not reduce to the standard Wess-Zumino model when we take the parameter of nonlocality of the model, $\\Lambda$, much greater than any energy scale; in addition, this model also depends on an extra parameter, $\\xi$. As to the other three models, the result looks like the renormalized effective potential for the usual Wess-Zumino model, where the normalization scale $\\mu$ is replaced by the $\\Lambda$. Moreover, the fourth model displays a divergence which can be eliminated through the appropriate wave function renormalization.
Roderique, Joseph D; Josef, Christopher S; Feldman, Michael J; Spiess, Bruce D
2015-08-06
The first descriptions of carbon monoxide (CO) and its toxic nature appeared in the literature over 100 years ago in separate publications by Drs. Douglas and Haldane. Both men ascribed the deleterious effects of this newly discovered gas to its strong interaction with hemoglobin. Since then the adverse sequelae of CO poisoning has been almost universally attributed to hypoxic injury secondary to CO occupation of oxygen binding sites on hemoglobin. Despite a mounting body of literature suggesting other mechanisms of injury, this pathophysiology and its associated oxygen centric therapies persists. This review attempts to elucidate the remarkably complex nature of CO as a gasotransmitter. While CO's affinity for hemoglobin remains undisputed, new research suggests that its role in nitric oxide release, reactive oxygen species formation, and its direct action on ion channels is much more significant. In the course of understanding the multifaceted character of this simple molecule it becomes apparent that current oxygen based therapies meant to displace CO from hemoglobin may be insufficient and possibly harmful. Approaching CO as a complex gasotransmitter will help guide understanding of the complex and poorly understood sequelae and illuminate potentials for new treatment modalities.
UAV path planning using artificial potential field method updated by optimal control theory
Chen, Yong-bo; Luo, Guan-chen; Mei, Yue-song; Yu, Jian-qiao; Su, Xiao-long
2016-04-01
The unmanned aerial vehicle (UAV) path planning problem is an important assignment in the UAV mission planning. Based on the artificial potential field (APF) UAV path planning method, it is reconstructed into the constrained optimisation problem by introducing an additional control force. The constrained optimisation problem is translated into the unconstrained optimisation problem with the help of slack variables in this paper. The functional optimisation method is applied to reform this problem into an optimal control problem. The whole transformation process is deduced in detail, based on a discrete UAV dynamic model. Then, the path planning problem is solved with the help of the optimal control method. The path following process based on the six degrees of freedom simulation model of the quadrotor helicopters is introduced to verify the practicability of this method. Finally, the simulation results show that the improved method is more effective in planning path. In the planning space, the length of the calculated path is shorter and smoother than that using traditional APF method. In addition, the improved method can solve the dead point problem effectively.
Ashton, Douglas J; Wilding, Nigel B; Roth, Roland; Evans, Robert
2011-12-01
We report a detailed study, using state-of-the-art simulation and theoretical methods, of the effective (depletion) potential between a pair of big hard spheres immersed in a reservoir of much smaller hard spheres, the size disparity being measured by the ratio of diameters q ≡ σ(s)/σ(b). Small particles are treated grand canonically, their influence being parameterized in terms of their packing fraction in the reservoir η(s)(r). Two Monte Carlo simulation schemes--the geometrical cluster algorithm, and staged particle insertion--are deployed to obtain accurate depletion potentials for a number of combinations of q ≤ 0.1 and η(s)(r). After applying corrections for simulation finite-size effects, the depletion potentials are compared with the prediction of new density functional theory (DFT) calculations based on the insertion trick using the Rosenfeld functional and several subsequent modifications. While agreement between the DFT and simulation is generally good, significant discrepancies are evident at the largest reservoir packing fraction accessible to our simulation methods, namely, η(s)(r) = 0.35. These discrepancies are, however, small compared to those between simulation and the much poorer predictions of the Derjaguin approximation at this η(s)(r). The recently proposed morphometric approximation performs better than Derjaguin but is somewhat poorer than DFT for the size ratios and small-sphere packing fractions that we consider. The effective potentials from simulation, DFT, and the morphometric approximation were used to compute the second virial coefficient B(2) as a function of η(s)(r). Comparison of the results enables an assessment of the extent to which DFT can be expected to correctly predict the propensity toward fluid-fluid phase separation in additive binary hard-sphere mixtures with q ≤ 0.1. In all, the new simulation results provide a fully quantitative benchmark for assessing the relative accuracy of theoretical approaches for
Frew, Paula M; Archibald, Matthew; Martinez, Nina; del Rio, Carlos; Mulligan, Mark J
2007-01-01
The HIV/AIDS pandemic continues to challenge the African American community with disproportionate rates of infection, particularly among young women ages 25 to 34 years. Development of a preventive HIV vaccine may bring a substantial turning point in this health crisis. Engagement of the African American community is necessary to improve awareness of the effort and favorably influence attitudes and referent norms. The Theory of Reasoned Action (TRA) may be a useful framework for exploration of community engagement outcomes including future attendance, community mobilization, and study participation. Within the context of HIV vaccine outreach, we conducted a cross-sectional survey in early 2007 with 175 African-American adults (>/= 18 years). Confirmatory factor analysis and structural equation modeling were performed and the findings support the potential of the model in understanding behavioral intentions toward HIV vaccine research.
Kranczioch, Cornelia; Zich, Catharina; Schierholz, Irina; Sterr, Annette
2014-01-01
Studying the brain in its natural state remains a major challenge for neuroscience. Solving this challenge would not only enable the refinement of cognitive theory, but also provide a better understanding of cognitive function in the type of complex and unpredictable situations that constitute daily life, and which are often disturbed in clinical populations. With mobile EEG, researchers now have access to a tool that can help address these issues. In this paper we present an overview of technical advancements in mobile EEG systems and associated analysis tools, and explore the benefits of this new technology. Using the example of motor imagery (MI) we will examine the translational potential of MI-based neurofeedback training for neurological rehabilitation and applied research.
Liao, Sheng-Lun; Ho, Tak-San; Rabitz, Herschel; Chu, Shih-I.
2017-06-01
A long-standing challenge in the time-dependent density functional theory is to efficiently solve the exact time-dependent optimized effective potential (TDOEP) integral equation derived from orbital-dependent functionals, especially for the study of nonadiabatic dynamics in time-dependent external fields. In this Letter, we formulate a completely equivalent time-local TDOEP equation that admits a unique real-time solution in terms of time-dependent Kohn-Sham and effective memory orbitals. The time-local formulation is numerically implemented, with the incorporation of exponential memory loss to address the unaccounted for correlation component in the exact-exchange-only functional, to enable the study of the many-electron dynamics of a one-dimensional hydrogen chain. It is shown that the long time behavior of the electric dipole converges correctly and the zero-force theorem is fulfilled in the current implementation.
Moller, Arlen C; Merchant, Gina; Conroy, David E; West, Robert; Hekler, Eric; Kugler, Kari C; Michie, Susan
2017-02-01
As more behavioral health interventions move from traditional to digital platforms, the application of evidence-based theories and techniques may be doubly advantageous. First, it can expedite digital health intervention development, improving efficacy, and increasing reach. Second, moving behavioral health interventions to digital platforms presents researchers with novel (potentially paradigm shifting) opportunities for advancing theories and techniques. In particular, the potential for technology to revolutionize theory refinement is made possible by leveraging the proliferation of "real-time" objective measurement and "big data" commonly generated and stored by digital platforms. Much more could be done to realize this potential. This paper offers proposals for better leveraging the potential advantages of digital health platforms, and reviews three of the cutting edge methods for doing so: optimization designs, dynamic systems modeling, and social network analysis.
Directory of Open Access Journals (Sweden)
Tim Dunne
2012-10-01
Full Text Available The challenges inherent in assessing mathematical proficiency depend on a number of factors, amongst which are an explicit view of what constitutes mathematical proficiency, an understanding of how children learn and the purpose and function of teaching. All of these factors impact on the choice of approach to assessment. In this article we distinguish between two broad types of assessment, classroom-based and systemic assessment. We argue that the process of assessment informed by Rasch measurement theory (RMT can potentially support the demands of both classroom-based and systemic assessment, particularly if a developmental approach to learning is adopted, and an underlying model of developing mathematical proficiency is explicit in the assessment instruments and their supporting material. An example of a mathematics instrument and its analysis which illustrates this approach, is presented. We note that the role of assessment in the 21st century is potentially powerful. This influential role can only be justified if the assessments are of high quality and can be selected to match suitable moments in learning progress and the teaching process. Users of assessment data must have sufficient knowledge and insight to interpret the resulting numbers validly, and have sufficient discernment to make considered educational inferences from the data for teaching and learning responses.
Coe, Joshua D; Sewell, Thomas D; Shaw, M Sam
2009-08-21
An optimized variant of the nested Markov chain Monte Carlo [n(MC)(2)] method [J. Chem. Phys. 130, 164104 (2009)] is applied to fluid N(2). In this implementation of n(MC)(2), isothermal-isobaric (NPT) ensemble sampling on the basis of a pair potential (the "reference" system) is used to enhance the efficiency of sampling based on Perdew-Burke-Ernzerhof density functional theory with a 6-31G(*) basis set (PBE6-31G(*), the "full" system). A long sequence of Monte Carlo steps taken in the reference system is converted into a trial step taken in the full system; for a good choice of reference potential, these trial steps have a high probability of acceptance. Using decorrelated samples drawn from the reference distribution, the pressure and temperature of the full system are varied such that its distribution overlaps maximally with that of the reference system. Optimized pressures and temperatures then serve as input parameters for n(MC)(2) sampling of dense fluid N(2) over a wide range of thermodynamic conditions. The simulation results are combined to construct the Hugoniot of nitrogen fluid, yielding predictions in excellent agreement with experiment.
Energy Technology Data Exchange (ETDEWEB)
Wu, Wei [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); Wang, Jin, E-mail: jin.wang.1@stonybrook.edu [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 130022 Changchun, China and College of Physics, Jilin University, 130021 Changchun (China)
2014-09-14
We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series.
Sun, Y Y; Kim, Yong-Hyun; Lee, Kyuho; Zhang, S B
2008-10-21
Density functional theory (DFT) in the commonly used local density or generalized gradient approximation fails to describe van der Waals (vdW) interactions that are vital to organic, biological, and other molecular systems. Here, we propose a simple, efficient, yet accurate local atomic potential (LAP) approach, named DFT+LAP, for including vdW interactions in the framework of DFT. The LAPs for H, C, N, and O are generated by fitting the DFT+LAP potential energy curves of small molecule dimers to those obtained from coupled cluster calculations with single, double, and perturbatively treated triple excitations, CCSD(T). Excellent transferability of the LAPs is demonstrated by remarkable agreement with the JSCH-2005 benchmark database [P. Jurecka et al. Phys. Chem. Chem. Phys. 8, 1985 (2006)], which provides the interaction energies of CCSD(T) quality for 165 vdW and hydrogen-bonded complexes. For over 100 vdW dominant complexes in this database, our DFT+LAP calculations give a mean absolute deviation from the benchmark results less than 0.5 kcal/mol. The DFT+LAP approach involves no extra computational cost other than standard DFT calculations and no modification of existing DFT codes, which enables straightforward quantum simulations, such as ab initio molecular dynamics, on biomolecular systems, as well as on other organic systems.
Xu, Changyi; Chao, B. Fong
2017-05-01
We compute the coseismic gravitational potential energy Eg change using the spherical-Earth elastic dislocation theory and either the fault model treated as a point source or the finite fault model. The rate of the accumulative Eg loss produced by historical earthquakes from 1976 to 2016 (about 42,000 events) using the Global Centroid Moment Tensor Solution catalogue is estimated to be on the order of -2.1 × 1020 J/a, or -6.7 TW (1 TW = 1012 W), amounting to 15% in the total terrestrial heat flow. The energy loss is dominated by the thrust faulting, especially the megathrust earthquakes such as the 2004 Sumatra earthquake (Mw 9.0) and the 2011 Tohoku-Oki earthquake (Mw 9.1). It is notable that the very deep focus events, the 1994 Bolivia earthquake (Mw 8.2) and the 2013 Okhotsk earthquake (Mw 8.3), produced significant overall coseismic Eg gain according to our calculation. The accumulative coseismic Eg is mainly lost in the mantle of the Earth and also lost in the core of the Earth but with a relatively smaller magnitude. By contrast, the crust of the Earth gains gravitational potential energy cumulatively because of the coseismic deformations. We further investigate the tectonic signature in the coseismic crustal Eg changes in some complex tectonic zone, such as Taiwan region and the northeastern margin of the Tibetan Plateau. We found that the coseismic Eg change is consistent with the regional tectonic character.
Gravitational Collapse in Husain space-time for Brans-Dicke Gravity Theory with Power-law Potential.
Rudra, Prabir
2016-07-01
The motive of this work is to study gravitational collapse in Husain space-time in Brans-Dicke gravity theory. Among many scalar-tensor theories of gravity, Brans-Dicke is the simplest and the impact of it can be regulated by two parameters associated with it, namely, the Brans-Dicke parameter, ω, and the potential-scalar field dependency parameter 'n' respectively. V. Husain's work on exact solution for null fluid collapse in 1996 has influenced many authors to follow his way to find the end-state of the homogeneous/inhomogeneous dust cloud. Vaidya's metric is used all over to follow the nature of future outgoing radial null geodesics. Detecting whether the central singularity is naked or wrapped by an event horizon, by the existence of future directed radial null geodesic emitted in past from the singularity is the basic objective. To point out the existence of positive trajectory tangent solution, both particular parametric cases(through tabular forms) and wide range contouring process have been applied. Precisely, perfect fluid's equation of state satisfies a wide range of phenomena : from dust to exotic fluid like dark energy. We have used the equation of state parameter 'k' to determine the end state of collapse in different cosmological era. Our main target is to check low ω (more deviations from Einstein gravity-more Brans Dicke effect) and negative 'k' zones. This particularly throws light on the nature of the end-state of collapse in accelerated expansion in Brans Dicke gravity. It is seen that for positive values of EoS parameter 'k', the collapse results in a black hole, whereas for negative values of 'k', naked singularity is the only outcome. It is also to be noted that "low ω" leads to the possibility of getting more naked singularities even for a non-accelerating universe.
Haynes, Emma; Taylor, Kate P; Durey, Angela; Bessarab, Dawn; Thompson, Sandra C
2014-09-20
The substantial gap in life expectancy between Indigenous and non-Indigenous Australians has been slow to improve, despite increased dedicated funding. Partnerships between Australian Indigenous and mainstream Western biomedical organisations are recognised as crucial to improved Indigenous health outcomes. However, these partnerships often experience challenges, particularly in the context of Australia's race and political relations. We examined the relevant literature in order to identify the potential role for social theory and theoretical models in developing and maintaining intercultural partnerships. Having identified relevant theoretical models, terms and possible key words, a range of databases were searched and relevant articles selected for inclusion. An integrative approach brought together theoretical models and practical considerations about working in partnership, to inform our analysis of the literature. Considering partnerships between Australian Indigenous and mainstream health organisations as 'bi-cultural' is simplistic: rather they are culturally diverse across social and professional levels. As such, partnerships between Australian Indigenous and mainstream health organisations may be better conceptualised as 'intercultural', operating across diverse and shifting cultural frames of reference. Theories identified by this review as useful to guide partnerships include power relations, reflexivity and dialogue, borders and strangeness and the intercultural or third space. This paper examines how these theoretical approaches can develop understanding and improve intercultural engagement between mainstream and Australian Indigenous partners in healthcare. Rather than viewing partnerships merely as arrangements between disembodied entities, sometimes contractual in nature, they are better seen as activities between people and organisations and essentially dependent on relationships, occurring in an intercultural space that is complex, dynamic and
Institute of Scientific and Technical Information of China (English)
DUAN Yi-Shi; REN Ji-Rong; LI Ran
2007-01-01
In this paper, spinor and vector decompositions of SU(2) gauge potential are presented and their equivalence is constructed using a simply proposal. We also obtain the action of Faddeev nonlinear O(3) sigma model from the SU(2)massive gauge field theory, which is proposed according to the gauge invariant principle. At last, the knot structure in SU(2) Chern-Simons filed theory is discussed in terms of the φ-mapping topological current theory. The topological charge of the knot is characterized by the Hopf indices and the Brouwer degrees of φ-mapping.
A Hückel source-sink-potential theory of Pauli spin blockade in molecular electronic devices
Pickup, Barry T.; Fowler, Patrick W.; Sciriha, Irene
2016-11-01
This paper shows how to include Pauli (exclusion principle) effects within a treatment of ballistic molecular conduction that uses the tight-binding Hückel Hamiltonian and the source-sink-potential (SSP) method. We take into account the many-electron ground-state of the molecule and show that we can discuss ballistic conduction for a specific molecular device in terms of four structural polynomials. In the standard one-electron picture, these are characteristic polynomials of vertex-deleted graphs, with spectral representations in terms of molecular-orbital eigenvectors and eigenvalues. In a more realistic many-electron picture, the spectral representation of each polynomial is retained but projected into the manifold of unoccupied spin-orbitals. Crucially, this projection preserves interlacing properties. With this simple reformulation, selection rules for device transmission, expressions for overall transmission, and partition of transmission into bond currents can all be mapped onto the formalism previously developed. Inclusion of Pauli spin blockade, in the absence of external perturbations, has a generic effect (suppression of transmission at energies below the Fermi level) and specific effects at anti-bonding energies, which can be understood using our previous classification of inert and active shells. The theory predicts the intriguing phenomenon of Pauli perfect reflection whereby, once a critical electron count is reached, some electronic states of devices can give total reflection of electrons at all energies.
Directory of Open Access Journals (Sweden)
Cesare Biserni
2015-11-01
Full Text Available Especially in the last decade, efforts have been made in developing the sustainable building assessment tools, which are usually performed based on fundamentals of the First Law of Thermodynamics. However, this approach does not provide a faithful thermodynamic evaluation of the overall energy conversion processes that occur in buildings, and a more robust approach should be followed. The relevance of Second Law analysis has been here highlighted: in addition to the calculation of energy balances, the concept of exergy is used to evaluate the quality of energy sources, resulting in a higher flexibility of strategies to optimize a building design. Reviews of the progress being made with the constructal law show that diverse phenomena can be considered manifestations of the tendency towards optimization captured by the constructal law. The studies based on First and Second Principle of Thermodynamics results to be affected by the extreme generality of the two laws, which is consequent of the fact that in thermodynamics the “any system” is a black box with no information about design, organization and evolution. In this context, an exploratory analysis on the potentiality of constructal theory, that can be considered a law of thermodynamics, has been finally outlined in order to assess the energy performance in building design.
Indian Academy of Sciences (India)
Bhaskar Jyoti Hazarika; D K Choudhury
2012-04-01
We have recently reported the calculation of slope and curvature of Isgur–Wise function based on variationally improved perturbation theory (VIPT) in a quantum chromodynamics (QCD)-inspired potential model. In that work, Coulombic potential was taken as the parent while the linear one as the perturbation. In this work, we choose the linear one as the parent with Coulombic one as the perturbation and see the consequences.
Directory of Open Access Journals (Sweden)
E. V. B. Leite
2015-01-01
Full Text Available Based on the Kaluza-Klein theory, we study the Aharonov-Bohm effect for bound states for a relativistic scalar particle subject to a Coulomb-type potential. We introduce this scalar potential as a modification of the mass term of the Klein-Gordon equation, and a magnetic flux through the line element of the Minkowski spacetime in five dimensions. Then, we obtain the relativistic bound states solutions and calculate the persistent currents.
Waller, Jennifer; Bower, Katherine M; Spence, Marsha; Kavanagh, Katherine F
2015-10-01
Excessive, rapid weight gain in early infancy has been linked to risk of later overweight and obesity. Inappropriate infant feeding practices associated with this rapid weight gain are currently of great interest. Understanding the origin of these practices may increase the effectiveness of interventions. Low-income populations in the Southeastern United States are at increased risk for development of inappropriate infant feeding practices, secondary to the relatively low rates of breastfeeding reported from this region. The objective was to use grounded theory methodology (GTM) to explore interactions between mothers and infants that may influence development of feeding practices, and to do so among low-income, primiparous, Southeastern United States mothers. Analysis of 15 in-depth phone interviews resulted in development of a theoretical model in which Mother-Infant Communication Dynamic emerged as the central concept. The central concept suggests a communication pattern developed over the first year of life, based on a positive feedback loop, which is harmonious and results in the maternal perception of mother and infant now speaking the same language. Importantly, though harmonious, this dynamic may result from inaccurate maternal interpretation of infant cues and behaviours, subsequently leading to inappropriate infant feeding practices. Future research should test this theoretical model using direct observation of mother-infant communication, to increase the understanding of maternal interpretation of infant cues. Subsequently, interventions targeting accurate maternal interpretation of and response to infant cues, and impact on rate of infant weight gain could be tested. If effective, health care providers could potentially use these concepts to attenuate excess rapid infant weight gain. © 2013 John Wiley & Sons Ltd.
Giner, Beatriz; Bandrés, Isabel; Carmen López, M.; Lafuente, Carlos; Galindo, Amparo
2007-10-01
A study of the phase equilibrium (experimental and modeled) of mixtures formed by a cyclic ether and haloalkanes has been derived. Experimental data for the isothermal vapor liquid equilibrium of mixtures formed by tetrahydrofuran and tetrahydropyran and isomeric chlorobutanes at temperatures of 298.15, 313.15, and 328.15K are presented. Experimental results have been discussed in terms of both molecular characteristics of pure compounds and potential intermolecular interaction between them using thermodynamic information of the mixtures obtained earlier. The statistical associating fluid theory for potential of variable range (SAFT-VR) approach together with standard combining rules without adjustable parameters has been used to model the phase equilibrium. Good agreement between experiment and the prediction is found with such a model. Mean absolute deviations for pressures are of the order of 1kPa, while less than 0.013mole fraction for vapor phase compositions. In order to improve the results obtained, a new modeling has been carried out by introducing a unique transferable parameter kij, which modifies the strength of the dispersion interaction between unlike components in the mixtures, and is valid for all the studied mixtures being not temperature or pressure dependent. This parameter together with the SAFT-VR approach provides a description of the vapor-liquid equilibrium of the mixtures that is in excellent agreement with the experimental data for most cases. The absolute deviations are of the order of 0.005mole fraction for vapor phase compositions and less than 0.3kPa for pressure, excepting for mixtures containing 2-chloro-2-methylpropane which deviations for pressure are larger. Results obtained in this work in the modeling of the phase equilibrium with the SAFT-VR equation of state have been compared to the ones obtained in a previous study when the approach was used to model similar mixtures with clear differences in the thermodynamic behavior. We
Zhao, Meng; Anderson, Alfred B
2016-02-18
It has been shown recently that when reactants and products are well modeled within a comprehensive self-consistent theory for the electrochemical interface, accurate predictions are possible for reversible potentials, Urev, in acid electrolyte for reactions such as reduction of H(+)(aq) to form under potential deposited H(ads) and oxidation of an OH bond of H2O(ads) to deposit OH(ads). Predictions are based on calculated Gibbs energies for the reactant and product being equal at the reversible potential, which is the potential at the crossing point for reaction and product Gibbs energies, plotted as functions of electrode potential. In this Letter, it is demonstrated that the same capability holds for these reactions in basic electrolyte. This demonstration opens up the opportunity for predictions of reversible potentials and mechanisms for other electrocatalytic reactions in base.
Digital Repository Service at National Institute of Oceanography (India)
Vethamony, P.; Chandramohan, P.; Sastry, J.S.; Narasimhan, S.
flow theory. Variations of added-mass and damping coefficients with respect to water depth, wave period and float size have been obtained. Variations of added-mass and damping coefficients with wave period show that these hydrodynamic coefficients...
Howarth, Caroline; Foster, Juliet; Dorrer, Nike
2004-03-01
This article seeks to demonstrate the importance of developing a dialogue between social representations theory and community approaches to researching issues of health. We show how we have used the theory within our own research to ground our findings at the level of community. The article is divided into three sections: the recognition of competing systems of knowledge; the role of representations in maintaining stigmatizing practices; and the impact of representations on identities. Each section is illustrated with material drawn from Foster's research on mental illness and Dorrer's research on women's representations of healthy eating. We conclude by arguing that, while social representations theory is a valuable tool for community-based health research, the theory would benefit from developing a more participatory methodology.
Yang, Xue-Min; Li, Jin-Yan; Zhang, Meng; Chai, Guo-Min; Zhang, Jian
2014-12-01
A thermodynamic model for predicting sulfide capacity of CaO-FeO-Fe2O3-Al2O3-P2O5 slags in a large variation range of oxygen potential corresponding to mass percentage of FetO from 1.88 to 55.50 pct, i.e., IMCT- model, has been developed by coupling with the deduced desulfurization mechanism of the slags based on the ion and molecule coexistence theory (IMCT). The developed IMCT- model has been verified through comparing the determined sulfide capacity after Ban-ya et al.[20] with the calculated by the developed IMCT- model and the calculated by the reported sulfide capacity models such as the KTH model. Mass percentage of FetO as 6.75 pct corresponding to the mass action concentration of FetO as 0.0637 or oxygen partial as 2.27 × 10-6 Pa is the criterion for distinguishing reducing and oxidizing zones for the slags. Sulfide capacity of the slags in reducing zone is controlled by reaction ability of CaO regardless of slag oxidization ability. However, sulfide capacity of the slags in oxidizing zone shows an obvious increase tendency with the increasing of slag oxidization ability. Sulfide capacity of the slags in reducing zone keeps almost constant with variation of the simplified complex basicity (pct CaO)/((pct Al2O3) + (pct P2O5)), or optical basicity, or the mass action concentration ratios of N FeO/ N CaO, , , and . Sulfide capacity of the slags in oxidizing zone shows an obvious increase with the increasing of the simplified complex basicity (pct CaO)/((pct Al2O3) + (pct P2O5)) or optical basicity, or the aforementioned mass action concentration ratios. Thus, the aforementioned mass action concentration ratios and the corresponding mass percentage ratios of various iron oxides to basic oxide CaO are recommended to represent the comprehensive effect of various iron oxides and basic oxide CaO on sulfide capacity of the slags.
Directory of Open Access Journals (Sweden)
Ryan C. Atwell
2009-06-01
Full Text Available In the last 200 yr, more than 80% of the land in the U.S. Corn Belt agro-ecosystem has been converted from natural perennial vegetation to intensive agricultural production of row crops. Despite research showing how re-integration of perennial vegetation, e.g., cover crops, pasture, riparian buffers, and restored wetlands, at strategic landscape positions can bolster declining regional ecosystem functions, the amount of land area devoted to row crop production in the Corn Belt continues to increase. As this region enters a time of fast-paced and uncertain reorganization driven by the emerging bioeconomy, changes in land use will continue to take place that will impact the resilience of the Corn Belt's linked social and ecological systems for years to come. Both resilience theory and the diffusion of innovations theory investigate how change is brought about in systems through the adaptation and innovation of social actors. In this paper, we integrate these two frameworks in the analysis of 33 in-depth interviews to improve our understanding of how rural Corn Belt stakeholders make conservation decisions in the midst of an uncertain future. Interview data indicate that the adoption of conservation practices is based not only on immediate profitability but also on the interplay between contextual factors at three distinct levels of the system: compatibility with farm priorities, profitability, practices, and technologies; community-level reinforcement through local social networks, norms, and support structures; and consistent, straightforward, flexible, and well-targeted incentives and regulations issuing from regional institutions. Interviewees suggest that the multiscale drivers that currently support the continued expansion of row crop production could be realigned with conservation objectives in landscapes of the future. Adaptation of social actors through collaborative learning at the community level may be instrumental in brokering the sort
Corazon, Sus S.; Schilhab, Theresa S. S.; Stigsdotter, Ulrika K.
2011-01-01
This paper theoretically examines the interplay between cognition and bodily involvement in relation to nature-based therapy and proposes implications for practice. With support from theory within embodied cognition and neuroscientific studies, it is argued that explicit learning is actively supported by bodily involvement with the environment.…
Corazon, Sus S.; Schilhab, Theresa S. S.; Stigsdotter, Ulrika K.
2011-01-01
This paper theoretically examines the interplay between cognition and bodily involvement in relation to nature-based therapy and proposes implications for practice. With support from theory within embodied cognition and neuroscientific studies, it is argued that explicit learning is actively supported by bodily involvement with the environment.…
EFFECTIVE POTENTIAL FOR Ц4 THEORY AT FINITE TE1PERATURE IN R(®sD~l AND r®h"
Hattori, Т.; M. Hayashi; Inagaki, I.; Kitaiono, I.
2004-01-01
We calculate the explicit expression of the ¦lite effective potential in а Я,ф4 theory at finite temperature in a static universe for arbitrary spacetime dimensions (2 4 to improve the loop expansion at high temperature. For a conformally coupled and a minimally coupled scalar field it is shown that temperature and positive curvature suppress the symmetry breaking, while negative curvature enhances it. The conformally coupled scalar has larger curvature effects than the minimally coupled one....
Loring, FH
2014-01-01
Summarising the most novel facts and theories which were coming into prominence at the time, particularly those which had not yet been incorporated into standard textbooks, this important work was first published in 1921. The subjects treated cover a wide range of research that was being conducted into the atom, and include Quantum Theory, the Bohr Theory, the Sommerfield extension of Bohr's work, the Octet Theory and Isotopes, as well as Ionisation Potentials and Solar Phenomena. Because much of the material of Atomic Theories lies on the boundary between experimentally verified fact and spec
Energy Technology Data Exchange (ETDEWEB)
Mora, C. [Departamento de Matematicas, Unidad Profesional Interdisciplinaria de Biotecnologia, IPN, Av. Acueducto s/n Barrio La Laguna Ticoman, 07340 Mexico D.F. (Mexico)]. E-mail: cmora@acei.upibi.ipn.mx; Pimentel, L.O. [Departamento de Fisica, Universidad Autonoma Metropolitana-lztapalapa, A.P. 44-534, 09340Mexico, D.F. (Mexico)]. E-mail: lopr@xanum.uam.mx
2003-07-01
In this work we present homogeneous and isotropic cosmological solutions for the low energy limit of string theory with a self interacting potential for the scalar field. For a potential that is a linear combination of two exponential, a family of exact solutions are found for the different spatial curvatures. Among this family a non singular accelerating solution for positive curvature is singled out and the violation of the energy conditions for that solution is studied, and also its astrophysical consequences. The string coupling for this solution is finite. (Author)
Avazpour, A; Avazpour, L
2010-12-28
This article applies the density functional theory to confined liquid crystals, comprised of ellipsoidal shaped particles interacting through the hard Gaussian overlap (HGO) potential. The extended restricted orientation model proposed by Moradi and co-workers [J. Phys.: Condens. Matter 17, 5625 (2005)] is used to study the surface anchoring. The excess free energy is calculated as a functional expansion of density around a reference homogeneous fluid. The pair direct correlation function (DCF) of a homogeneous HGO fluid is approximated, based on the optimized sum of Percus-Yevick and Roth DCF for hard spheres; the anisotropy introduced by means of the closest approach parameter, the expression proposed by Marko [Physica B 392, 242 (2007)] for DCF of HGO, and hard ellipsoids were used. In this study we extend an our previous work [Phys. Rev. E 72, 061706 (2005)] on the anchoring behavior of hard particle liquid crystal model, by studying the effect of changing the particle-substrate contact function instead of hard needle-wall potentials. We use the two particle-surface potentials: the HGO-sphere and the HGO-surface potentials. The average number density and order parameter profiles of a confined HGO fluid are obtained using the two particle-wall potentials. For bulk isotropic liquid, the results are in agreement with the Monte Carlo simulation of Barmes and Cleaver [Phys. Rev. E 71, 021705 (2005)]. Also, for the bulk nematic phase, the theory gives the correct density profile and order parameter between the walls.
Energy Technology Data Exchange (ETDEWEB)
Cardoso, T R; Castro, L B; De Castro, A S, E-mail: cardoso@feg.unesp.b, E-mail: benito@feg.unesp.b, E-mail: castro@pq.cnpq.b [UNESP-Campus de Guaratingueta, Departamento de Fisica e Quimica, 12516-410 Guaratingueta Sao Paulo (Brazil)
2010-02-05
The vector couplings in the Duffin-Kemmer-Petiau (DKP) theory have been revised. It is shown that minimal and nonminimal vector potentials behave differently under charge-conjugation and time-reversal transformations. In particular, it is shown that nonminimal vector potentials have been erroneously applied to the description of elastic meson-nucleus scatterings and that the space component of the nonminimal vector potential plays a crucial role for the confinement of bosons. The DKP equation with nonminimal vector linear potentials is mapped into the nonrelativistic harmonic oscillator problem and the behavior of the solutions for this sort of DKP oscillator is discussed in detail. Furthermore, the absence of Klein's paradox and the localization of bosons in the presence of nonminimal vector interactions are discussed.
Banerjee, Arup; Harbola, Manoj K.
1999-11-01
van Leeuwen and Baerends proposed a Becke-like nonlocal correction to the local-density-approximation (LDA) exchange-correlation potential so that its asymptotic structure becomes exact i.e., -1/r [Phys. Rev. A 49, 2421 (1994)]. They showed that it significantly improves the value of the highest occupied orbital eigenvalue of atoms and molecules. However, the correction is exchangelike in nature. With this in mind, in this paper we investigate how this correction affects the total energies and highest eigenvalues within the exchange-only approximation. We show that the potential also corrects the LDA errors substantially within this approximation, and leads to total energies and high eigenvalues which compare well with their Hartree-Fock counterparts. Improvement in the asymptotic behavior of the potential should also result in better values of the response properties of these systems. We show that with this correction one obtains better estimates, both within the exchange-only approximation and with correlation included, of the linear and nonlinear polarizabilities of inert gas atoms. This is quite significant, since the LDA is known to overestimate the nonlinear polarizabilities of these atoms by roughly 100%. On the other hand, for alkaline-earth atoms the values of polarizabilities obtained with this correction are not satisfactory. Nonetheless, hyperpolarizabilities show a marked improvement over the LDA results.
Maitra, Rahul; Akinaga, Yoshinobu; Nakajima, Takahito
2017-08-01
A single reference coupled cluster theory that is capable of including the effect of connected triple excitations has been developed and implemented. This is achieved by regrouping the terms appearing in perturbation theory and parametrizing through two different sets of exponential operators: while one of the exponentials, involving general substitution operators, annihilates the ground state but has a non-vanishing effect when it acts on the excited determinant, the other is the regular single and double excitation operator in the sense of conventional coupled cluster theory, which acts on the Hartree-Fock ground state. The two sets of operators are solved as coupled non-linear equations in an iterative manner without significant increase in computational cost than the conventional coupled cluster theory with singles and doubles excitations. A number of physically motivated and computationally advantageous sufficiency conditions are invoked to arrive at the working equations and have been applied to determine the ground state energies of a number of small prototypical systems having weak multi-reference character. With the knowledge of the correlated ground state, we have reconstructed the triple excitation operator and have performed equation of motion with coupled cluster singles, doubles, and triples to obtain the ionization potential and excitation energies of these molecules as well. Our results suggest that this is quite a reasonable scheme to capture the effect of connected triple excitations as long as the ground state remains weakly multi-reference.
Hesse, Michael; Birn, Joachim; Schindler, Karl
1990-01-01
A self-consistent two-fluid theory that includes the magnetic field and shear patterns is developed to model stationary electrostatic structures with field-aligned potential drops. Shear flow is also included in the theory since this seems to be a prominent feature of the structures of interest. In addition, Ohmic dissipation, a Hall term, and pressure gradients in a generalized Ohm's law, modified for cases without quasi-neutrality, are included. In the analytic theory, the electrostatic force is balanced by field-aligned pressure gradients (i.e., thermal effects in the direction of the magnetic field) and by pressure gradients and magnetic stresses in the perpendicular direction. Within this theory, simple examples of applications are presented to demonstrate the kind of solutions resulting from the model. The results show how the effects of charge separation and shear in the magnetic field and the velocity can be combined to form self-consistent structures such as are found to exist above the aurora, suggested also in association with solar flares.
Wolff, J Gerard
2016-01-01
Model-based coding, described by John Pierce in 1961, has great potential to reduce the volume of information that needs to be transmitted in moving big data, without loss of information, from one place to another, or in lossless communications via the internet. Compared with ordinary compression methods, this potential advantage of model-based coding in the transmission of data arises from the fact that both the transmitter ("Alice") and the receiver ("Bob") are equipped with a grammar for t...
Arefi, Mohammad; Zenkour, Ashraf M.
2016-11-01
Strain gradient theory is used to study free vibration, wave propagation and tension analyses of a sandwich micro/nano rod made of piezoelectric materials under electric potential. The structure is resting on a Pasternak’s foundation medium. Love’s rod model is used for derivation of displacement field. The piezoelectric face sheets are subjected to two-dimensional electric potential including an applied voltage at top of plate and a cosine term along the thickness direction. Hamilton’s principle is used to derive governing equations of motion in terms of axial displacement and electric potential. Three distinct behaviors of the present problem including free vibration, wave propagation and tension analyses are performed. Some important numerical results are presented in detail to capture the effect of materials length scales and applied voltage on the different behaviors of microrod.
Dolenšek, Jurij; Špelič, Denis; Klemen, Maša Skelin; Žalik, Borut; Gosak, Marko; Rupnik, Marjan Slak; Stožer, Andraž
2015-10-28
Beta cells in the pancreatic islets of Langerhans are precise biological sensors for glucose and play a central role in balancing the organism between catabolic and anabolic needs. A hallmark of the beta cell response to glucose are oscillatory changes of membrane potential that are tightly coupled with oscillatory changes in intracellular calcium concentration which, in turn, elicit oscillations of insulin secretion. Both membrane potential and calcium changes spread from one beta cell to the other in a wave-like manner. In order to assess the properties of the abovementioned responses to physiological and pathological stimuli, the main challenge remains how to effectively measure membrane potential and calcium changes at the same time with high spatial and temporal resolution, and also in as many cells as possible. To date, the most wide-spread approach has employed the electrophysiological patch-clamp method to monitor membrane potential changes. Inherently, this technique has many advantages, such as a direct contact with the cell and a high temporal resolution. However, it allows one to assess information from a single cell only. In some instances, this technique has been used in conjunction with CCD camera-based imaging, offering the opportunity to simultaneously monitor membrane potential and calcium changes, but not in the same cells and not with a reliable cellular or subcellular spatial resolution. Recently, a novel family of highly-sensitive membrane potential reporter dyes in combination with high temporal and spatial confocal calcium imaging allows for simultaneously detecting membrane potential and calcium changes in many cells at a time. Since the signals yielded from both types of reporter dyes are inherently noisy, we have developed complex methods of data denoising that permit for visualization and pixel-wise analysis of signals. Combining the experimental approach of high-resolution imaging with the advanced analysis of noisy data enables novel
Directory of Open Access Journals (Sweden)
Jurij Dolenšek
2015-10-01
Full Text Available Beta cells in the pancreatic islets of Langerhans are precise biological sensors for glucose and play a central role in balancing the organism between catabolic and anabolic needs. A hallmark of the beta cell response to glucose are oscillatory changes of membrane potential that are tightly coupled with oscillatory changes in intracellular calcium concentration which, in turn, elicit oscillations of insulin secretion. Both membrane potential and calcium changes spread from one beta cell to the other in a wave-like manner. In order to assess the properties of the abovementioned responses to physiological and pathological stimuli, the main challenge remains how to effectively measure membrane potential and calcium changes at the same time with high spatial and temporal resolution, and also in as many cells as possible. To date, the most wide-spread approach has employed the electrophysiological patch-clamp method to monitor membrane potential changes. Inherently, this technique has many advantages, such as a direct contact with the cell and a high temporal resolution. However, it allows one to assess information from a single cell only. In some instances, this technique has been used in conjunction with CCD camera-based imaging, offering the opportunity to simultaneously monitor membrane potential and calcium changes, but not in the same cells and not with a reliable cellular or subcellular spatial resolution. Recently, a novel family of highly-sensitive membrane potential reporter dyes in combination with high temporal and spatial confocal calcium imaging allows for simultaneously detecting membrane potential and calcium changes in many cells at a time. Since the signals yielded from both types of reporter dyes are inherently noisy, we have developed complex methods of data denoising that permit for visualization and pixel-wise analysis of signals. Combining the experimental approach of high-resolution imaging with the advanced analysis of noisy
Bekalu, Mesfin Awoke; Eggermont, Steven
2015-01-01
Despite a growing recognition of songs as a useful HIV/AIDS campaign strategy, little research has investigated their potential and/or actual impact. In this study, through a theory-based content analysis, we have assessed the prevention domains covered and the health-relevant constructs promoted by 23 AIDS songs widely used to aid prevention efforts in Ethiopia. To identify the health-relevant constructs and reveal their potential to facilitate or inhibit positive changes, the Extended Parallel Process Model (EPPM) has been used. The findings revealed that the songs cover most of the prevention domains that constitute the current agenda of behavior change communication in Sub-Saharan Africa. However, although all the EPPM variables have been found in almost every song, there were significantly more efficacy messages than threat messages. This suggests that although the songs may lead to positive changes in HIV/AIDS-related outcomes among audiences who have already perceived the threat posed by HIV/AIDS, they are less likely to motivate and thereby generate responses from audiences who have less or no threat perceptions. It is argued that given their potential as a culturally appropriate strategy in Sub-Saharan Africa where oral channels of communication play significant roles, songs could be harnessed for better outcomes through a theory-based design.
Welden, Alicia Rae; Zgid, Dominika
2015-01-01
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods employing the imaginary axis formalism on the other hand can benefit from the iterative implicit resummation of higher order diagrams that are not included when only the first iteration is performed. Unfortunately, the imaginary axis Green's function does not give direct access to the desired quasiparticle spectra, which undermines its utility. To this end we investigate how reliably one can calculate quasiparticle spectra from the Extended Koopmans' Theorem (EKT) applied to the imaginary time Green's function in a second order approximation (GF2). We find that EKT in conjunction with GF2 yields IPs and EAs that systematically underestimate experimental and accurate coupled-cluster reference values for a variety of molecules and atoms. This establishes that the EKT allows one to ...
The administration of primaquine (PQ), an essential drug for treatment and radical cure of malaria, can lead to methemoglobin formation and life-threatening hemolysis for glucose-6-phosphate dehydrogenase deficient patients. The ionization potential (IP, a quantitative measure of the ability to lose...
Smiga, Szymon; Mussard, Bastien; Buksztel, Adam; Grabowski, Ireneusz; Luppi, Eleonora; Toulouse, Julien
2016-01-01
We introduce an orbital-optimized double-hybrid (DH) scheme using the optimized-effective-potential (OEP) method. The orbitals are optimized using a local potential corresponding to the complete exchange-correlation energy expression including the second-order M{{\\o}}ller-Plesset (MP2) correlation contribution. We have implemented a one-parameter version of this OEP-based self-consistent DH scheme using the BLYP density-functional approximation and compared it to the corresponding non-self-consistent DH scheme for calculations on a few closed-shell atoms and molecules. While the OEP-based self-consistency does not provide any improvement for the calculations of ground-state total energies and ionization potentials, it does improve the accuracy of electron affinities and restores the meaning of the LUMO orbital energy as being connected to a neutral excitation energy. Moreover, the OEP-based self-consistent DH scheme provides reasonably accurate exchange-correlation potentials and correlated densities.
Turkay, Selen; Hoffman, Daniel; Kinzer, Charles K.; Chantes, Pantiphar; Vicari, Christopher
2014-01-01
Researchers have argued that an effort should be made to raise teachers' and parents' awareness of the potentially positive educational benefits of playing video games (e.g., see Baek, 2008). One part of this effort should be to increase understanding of how video games can be situated within teachers' existing goals and knowledge…
Howard, I A
2003-01-01
There is ongoing interest in the kinetic energy functional T sub s [rho] in density functional theory. The present study lies in this area and concerns the Pauli potential V sub P [rho]. A differential equation is obtained here for V sub P (x) in one dimension for a general two-level system. Also, as a specific example, such a functional of rho(x), the ground-state Fermion density, is given for the case of N Fermions which are harmonically confined. (letter to the editor)
Kazachenko, Sergey; Bulusu, Satya; Thakkar, Ajit J
2013-06-14
Putative global minima are reported for methanol clusters (CH3OH)n with n ≤ 15. The predictions are based on global optimization of three intermolecular potential energy models followed by local optimization and single-point energy calculations using two variants of dispersion-corrected density functional theory. Recurring structural motifs include folded and/or twisted rings, folded rings with a short branch, and stacked rings. Many of the larger structures are stabilized by weak C-H···O bonds.
Smith, J. R.
1969-01-01
Electron work functions, surface potentials, and electron number density distributions and electric fields in the surface region of 26 metals were calculated from first principles within the free electron model. Calculation proceeded from an expression of the total energy as a functional of the electron number density, including exchange and correlation energies, as well as a first inhomogeneity term. The self-consistent solution was obtained via a variational procedure. Surface barriers were due principally to many-body effects; dipole barriers were small only for some alkali metals, becoming quite large for the transition metals. Surface energies were inadequately described by this model, which neglects atomistic effects. Reasonable results were obtained for electron work functions and surface potential characteristics, maximum electron densities varying by a factor of over 60.
Olson, L. E.; Dvorak, F. A.
1976-01-01
The viscous subsonic flow past two-dimensional and infinite-span swept multi-component airfoils is studied theoretically and experimentally. The computerized analysis is based on iteratively coupled boundary-layer and potential-flow analysis. The method, which is restricted to flows with only slight separation, gives surface pressure distribution, chordwise and spanwise boundary-layer characteristics, lift, drag, and pitching moment for airfoil configurations with up to four elements. Merging confluent boundary layers are treated. Theoretical predictions are compared with an exact theoretical potential flow solution and with experimental measures made in the Ames 40- by 80-Foot Wind Tunnel for both two-dimensional and infinite-span swept wing configurations. Section lift characteristics are accurately predicted for zero and moderate sweep angles where flow separation effects are negligible.
Olson, L. E.; Dvorak, F. A.
1975-01-01
The viscous subsonic flow past two-dimensional and infinite-span swept multi-component airfoils is studied theoretically and experimentally. The computerized analysis is based on iteratively coupled boundary layer and potential flow analysis. The method, which is restricted to flows with only slight separation, gives surface pressure distribution, chordwise and spanwise boundary layer characteristics, lift, drag, and pitching moment for airfoil configurations with up to four elements. Merging confluent boundary layers are treated. Theoretical predictions are compared with an exact theoretical potential flow solution and with experimental measures made in the Ames 40- by 80-Foot Wind Tunnel for both two-dimensional and infinite-span swept wing configurations. Section lift characteristics are accurately predicted for zero and moderate sweep angles where flow separation effects are negligible.
Gidofalvi, Gergely; Mazziotti, David A
2005-05-15
The acceleration of the variational two-electron reduced-density-matrix (2-RDM) method, using a new first-order algorithm [D. A. Mazziotti, Phys. Rev. Lett. 93, 213001 (2004)], has shown its usefulness in the accurate description of potential energy surfaces in nontrivial basis sets. Here we apply the first-order 2-RDM method to the potential energy surfaces of the nitrogen and carbon dimers in polarized valence double-zeta basis sets for which benchmark full-configuration-interaction calculations exist. In a wave function formalism accurately stretching the triple bond of the nitrogen dimer requires at least six-particle excitations from the Hartree-Fock reference. Furthermore, cleaving the double bond of C2 should produce a "non-Morse"-like potential curve because the ground state near equilibrium (X 1sigma(g)+) has an avoided crossing with the second excited state (B' 1sigma(g)+) and a level crossing with the first excited state (B 1delta(g)). Because the 2-RDM method variationally optimizes the energy over correlated 2-RDMs on the two-electron space without parametrization of the many-electron wave function, it captures multireference correlations that are difficult to describe with approximate wave functions. The 2-RDM method yields for N2 a potential energy surface with features and spectroscopic constants that are more accurate than those from single-reference methods and similar in accuracy to multireference techniques, and it describes the non-Morse-like behavior of C2 which is not captured by single-reference methods.
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J.-M. Caillol
2013-01-01
Full Text Available We establish the critical line of the one-component Φ4 (or Landau-Ginzburg model on a simple four dimensional cubic lattice. Our study is performed in the framework of the non-perturbative renormalization group in the local potential approximation with a soft infra-red regulator. The transition is found to be of second order even in the Gaussian limit where first order would be expected according to some recent theoretical predictions.
Bohon, Lisa M; Cotter, Kelly A; Kravitz, Richard L; Cello, Philip C; Fernandez Y Garcia, Erik
2016-01-01
Between 9.5% and 31.3% of college students suffer from depression (American college health association national college health assessment II: reference group executive summary spring 2013. Amer. Coll. Health Assoc. 2013; Eagan K, Stolzenberg EB, Ramirez JJ, Aragon, MC, Suchard, RS, Hurtado S. The American freshman: national norms fall 2014. Higher Educ. Res. Inst.; 2015). Universities need to understand the factors that relate to care-seeking behavior. Across 3 studies, to relate attitudes, social norms, and perceived behavioral control to intention to seek mental health services, and to investigate barriers to care-seeking. University college students (N = 845, 64% female, 26% male, and 10% unspecified). New measures were created in Studies 1 and 2, and were examined using structural equation modeling in Study 3. Partially consistent with the Theory of Planned Behavior (Ajzen, I, Fishbein, M. Understanding Attitudes and Predicting Social Behavior. Englewood Cliffs, NJ: Prentice-Hall; 1980), a model with an excellent fit revealed that more positive attitudes about care and higher perceived behavioral control directly predicted higher intention to seek mental health services. Educating college students about mental health disorders and treatments, enhancing knowledge about available services, and addressing limited access to long-term care might improve treatment rates for students suffering from depression.
Poli, E.; Elliott, J. D.; Ratcliff, L. E.; Andrinopoulos, L.; Dziedzic, J.; Hine, N. D. M.; Mostofi, A. A.; Skylaris, C.-K.; Haynes, P. D.; Teobaldi, G.
2016-02-01
We report a linear-scaling density functional theory (DFT) study of the structure, wall-polarization absolute band-alignment and optical absorption of several, recently synthesized, open-ended imogolite (Imo) nanotubes (NTs), namely single-walled (SW) aluminosilicate (AlSi), SW aluminogermanate (AlGe), SW methylated aluminosilicate (AlSi-Me), and double-walled (DW) AlGe NTs. Simulations with three different semi-local and dispersion-corrected DFT-functionals reveal that the NT wall-polarization can be increased by nearly a factor of four going from SW-AlSi-Me to DW-AlGe. Absolute vacuum alignment of the NT electronic bands and comparison with those of rutile and anatase TiO2 suggest that the NTs may exhibit marked propensity to both photo-reduction and hole-scavenging. Characterization of the NTs’ band-separation and optical properties reveal the occurrence of (near-)UV inside-outside charge-transfer excitations, which may be effective for electron-hole separation and enhanced photocatalytic activity. Finally, the effects of the NTs’ wall-polarization on the absolute alignment of electron and hole acceptor states of interacting water (H2O) molecules are quantified and discussed.
Watts, Heath D; Mohamed, Mohamed Naseer Ali; Kubicki, James D
2011-12-21
Five potential reaction mechanisms, each leading to the formation of an α-O-4-linked coniferyl alcohol dimer, and one scheme leading to the formation of a recently proposed free-radical coniferyl alcohol trimer were assessed using density functional theory (DFT) calculations. These potential reaction mechanisms were evaluated using both the calculated Gibbs free energies, to predict the spontaneity of the constituent reactions, and the electron-density mapped Fukui function, to determine the most reactive sites of each intermediate species. The results indicate that each reaction in one of the six mechanisms is thermodynamically favorable to those in the other mechanisms; what is more, the Fukui function for each free radical intermediate corroborates with the thermochemical results for this mechanism. This mechanism proceeds via the formation of two distinct free-radical intermediates, which then react to produce the four α-O-4 stereoisomers.
Kehoe, Aoife B; Scanlon, David O; Watson, Graeme W
2016-05-05
The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured Cu3MCh4(M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials' suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.
Casida, Mark E.; Salahub, Dennis R.
2000-11-01
The time-dependent density functional theory (TD-DFT) calculation of excitation spectra places certain demands on the DFT exchange-correlation potential, vxc, that are not met by the functionals normally used in molecular calculations. In particular, for high-lying excitations, it is crucial that the asymptotic behavior of vxc be correct. In a previous paper, we introduced a novel asymptotic-correction approach which we used with the local density approximation (LDA) to yield an asymptotically corrected LDA (AC-LDA) potential [Casida, Casida, and Salahub, Int. J. Quantum Chem. 70, 933 (1998)]. The present paper details the theory underlying this asymptotic correction approach, which involves a constant shift to incorporate the effect of the derivative discontinuity (DD) in the bulk region of finite systems, and a spliced asymptotic correction in the large r region. This is done without introducing any adjustable parameters. We emphasize that correcting the asymptotic behavior of vxc is not by itself sufficient to improve the overall form of the potential unless the effect of the derivative discontinuity is taken into account. The approach could be used to correct vxc from any of the commonly used gradient-corrected functionals. It is here applied to the LDA, using the asymptotically correct potential of van Leeuwen and Baerends (LB94) in the large r region. The performance of our AC-LDA vxc is assessed for the calculation of TD-DFT excitation energies for a large number of excitations, including both valence and Rydberg states, for each of four small molecules: N2, CO, CH2O, and C2H4. The results show a significant improvement over those from either the LB94 or the LDA functionals. This confirms that the DD is indeed an important element in the design of functionals. The quality of TDLDA/LB94 and TDLDA/AC-LDA oscillator strengths were also assessed in what we believe to be the first rigorous assessment of TD-DFT molecular oscillator strengths in comparison with
Mattia, Maurizio; Ferraina, Stefano; Del Giudice, Paolo
2010-09-01
Local field potentials (LFP) and multi-unit activity (MUA) recorded in vivo are known to convey different information about the underlying neural activity. Here we extend and support the idea that single-electrode LFP-MUA task-related modulations can shed light on the involved large-scale, multi-modular neural dynamics. We first illustrate a theoretical scheme and associated simulation evidence, proposing that in a multi-modular neural architecture local and distributed dynamic properties can be extracted from the local spiking activity of one pool of neurons in the network. From this new perspective, the spectral features of the field potentials reflect the time structure of the ongoing fluctuations of the probed local neuronal pool on a wide frequency range. We then report results obtained recording from the dorsal premotor (PMd) cortex of monkeys performing a countermanding task, in which a reaching movement is performed, unless a visual stop signal is presented. We find that the LFP and MUA spectral components on a wide frequency band (3-2000 Hz) are very differently modulated in time for successful reaching, successful and wrong stop trials, suggesting an interplay of local and distributed components of the underlying neural activity in different periods of the trials and for different behavioural outcomes. Besides, the MUA spectral power is shown to possess a time-dependent structure, which we suggest could help in understanding the successive involvement of different local neuronal populations. Finally, we compare signals recorded from PMd and dorso-lateral prefrontal (PFCd) cortex in the same experiment, and speculate that the comparative time-dependent spectral analysis of LFP and MUA can help reveal patterns of functional connectivity in the brain.
Forte, Esther; Llovell, Felix; Vega, Lourdes F; Trusler, J P Martin; Galindo, Amparo
2011-04-21
An accurate prediction of phase behavior at conditions far and close to criticality cannot be accomplished by mean-field based theories that do not incorporate long-range density fluctuations. A treatment based on renormalization-group (RG) theory as developed by White and co-workers has proven to be very successful in improving the predictions of the critical region with different equations of state. The basis of the method is an iterative procedure to account for contributions to the free energy of density fluctuations of increasing wavelengths. The RG method has been combined with a number of versions of the statistical associating fluid theory (SAFT), by implementing White's earliest ideas with the improvements of Prausnitz and co-workers. Typically, this treatment involves two adjustable parameters: a cutoff wavelength L for density fluctuations and an average gradient of the wavelet function Φ. In this work, the SAFT-VR (variable range) equation of state is extended with a similar crossover treatment which, however, follows closely the most recent improvements introduced by White. The interpretation of White's latter developments allows us to establish a straightforward method which enables Φ to be evaluated; only the cutoff wavelength L then needs to be adjusted. The approach used here begins with an initial free energy incorporating only contributions from short-wavelength fluctuations, which are treated locally. The contribution from long-wavelength fluctuations is incorporated through an iterative procedure based on attractive interactions which incorporate the structure of the fluid following the ideas of perturbation theories and using a mapping that allows integration of the radial distribution function. Good agreement close and far from the critical region is obtained using a unique fitted parameter L that can be easily related to the range of the potential. In this way the thermodynamic properties of a square-well (SW) fluid are given by the same
Colebatch, J G
2009-11-01
The properties of rectified averages were investigated using the VEMP (vestibular-evoked myogenic potential) as an example of an evoked-type response. Recordings were made of surface EMG from the sternocleidomastoid (SCM) muscles of six volunteers, unstimulated, at different levels of tonic activation and then in response to clicks of different intensities. The stochastic properties of the surface EMG recorded were shown to be well modelled using a zero mean normal distribution with a standard deviation equivalent to the mean RMS (root mean squared) value (mean residual error variance 0.87%). Assuming a normal distribution, equations were derived for the expected value of both the rectified and RMS average with the addition of constant waveforms of different sizes. A simulation using recorded EMG and added sine waves of different amplitudes demonstrated that the equations predicted the rectified averages accurately. It also confirmed the importance of the relative amplitude of the added signal in determining whether it was detected using rectified averages. The same equations were then applied to actual data consisting of VEMPs of different relative amplitudes recorded from the volunteers. Whilst the signal-to-noise ratio (measured by corrected amplitude) was a major determinant of the nature of the rectified average, consistent deviations were detected between the predicted and actual rectified averages. Deviations from predicted values indicated that the VEMP did not behave simply like a constant signal added to tonic background EMG. A more complicated model, which included temporal jitter as well as inhibition of background EMG during the VEMP, was required to fit the physiological recordings. Rectified averages are sensitive to physiological properties, which are not apparent when using unrectified averages alone. Awareness of the properties of rectified averages should improve their interpretation.
Rahmati, Omid; Melesse, Assefa M
2016-10-15
Effective management and sustainable development of groundwater resources of arid and semi-arid environments require monitoring of groundwater quality and quantity. The aim of this paper is to develop a reasonable methodological framework for producing the suitability map for drinking water through the geographic information system, remote sensing and field surveys of the Andimeshk-Dezful, Khozestan province, Iran as a semi-arid region. This study investigated the delineation of groundwater potential zone based on Dempster-Shafer (DS) theory of evidence and evaluate its applicability for groundwater potentiality mapping. The study also analyzed the spatial distribution of groundwater nitrate concentration; and produced the suitability map for drinking water. The study has been carried out with the following steps: i) creation of maps of groundwater conditioning factors; ii) assessment of groundwater occurrence characteristics; iii) creation of groundwater potentiality map (GPM) and model validation; iv) collection and chemical analysis of water samples; v) assessment of groundwater nitrate pollution; and vi) creation of groundwater potentiality and quality map. The performance of the DS was also evaluated using the receiver operating characteristic (ROC) curve method and pumping test data to ensure its generalization ability, which eventually, the GPM showed 87.76% accuracy. The detailed analysis of groundwater potentiality and quality revealed that the 'non acceptable' areas covers an area of about 1479km(2) (60%). The study will provide significant information for groundwater management and exploitation in areas where groundwater is a major source of water and its exploration is critical to support drinking water need. Copyright © 2016 Elsevier B.V. All rights reserved.
Gidofalvi, Gergely; Mazziotti, David A
2006-04-27
The variational optimization of the energy with respect to the two-electron reduced-density matrix (2-RDM), constrained by N-representability conditions, can determine the shape of molecular potential energy surfaces with useful accuracy. In this paper, we apply the 2-RDM method with a first-order optimization algorithm [Mazziotti, D. A. Phys. Rev. Lett. 2004, 93, 213001] to investigating the potential energy surfaces of carbon monoxide in the presence and absence of an electric field. Two beneficial characteristics of the 2-RDM method for computing potential energy surfaces include the following: (i) its ability to capture multireference effects without specifying any reference wave function or density matrix and (ii) its guarantee of a global energy minimum in the variational optimization. The 2-RDM method produces electronic ground-state energies with similar accuracy at equilibrium and nonequilibrium geometries in both the presence and the absence of the electric field. Computed dipole moments are similar in accuracy to the values from the computationally expensive configuration interaction with single, double, triple, and quadruple excitations. These surfaces have important applications in quantum molecular control theory.
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
A density functional theory (DFT)-calculation scheme for constructing the modified embedded atom method (MEAM) potentials for face-centered cubic (fcc) metals is presented. The input quantities are carefully selected and a more reliable DFT approach for surface energy determination is introduced in the parameterization scheme, enabling MEAM to precisely predict the surface and nanoscale properties of metallic materials. Molecular dynamics simulations on Pt and Au crystals show that the parameterization employed leads to significantly improved accuracy of MEAM in calculating the surface and nanoscale properties, with the results agreeing well with both DFT calculations and experimental observations. The present study implies that rational DFT parameterization of MEAM may lead to a theoretical tool to bridge the gap between nanoscale theoretical simulations and DFT calculations.
Schreckenberg, Jens M. A.; Dufal, Simon; Haslam, Andrew J.; Adjiman, Claire S.; Jackson, George; Galindo, Amparo
2014-09-01
An improved formulation of the extension of the statistical associating fluid theory for potentials of variable range to electrolytes (SAFT-VRE) is presented, incorporating a representation for the dielectric constant of the solution that takes into account the temperature, density and composition of the solvent. The proposed approach provides an excellent correlation of the dielectric-constant data available for a number of solvents including water, representative alcohols and carbon dioxide, and it is shown that the methodology can be used to treat mixed-solvent electrolyte solutions. Models for strong electrolytes of the metal-halide family are considered here. The salts are treated as fully dissociated and ion-specific interaction parameters are presented. Vapour pressure, density, and mean ionic activity coefficient data are used to determine the ion-ion and solvent-ion parameters, and mixed-salt electrolyte solutions (brines) are then treated predictively. We find that the resulting intermolecular potential models follow physical trends in terms of energies and ion sizes with a close relationship observed with well-established ionic diameters. A good description is obtained for the densities, mean ionic activity coefficients, and vapour pressures of the electrolyte solutions studied. The theory is also seen to provide excellent predictions of the osmotic coefficient and of the depression of the freezing temperature, and provides a qualitative estimate of the solvation free energy. The vapour pressure of aqueous brines is predicted accurately, as is the density of these solutions, although not at the highest pressures considered. Calculations for the vapour-liquid and liquid-liquid equilibria of salts in water+methanol and water+n-butan-1-ol are presented. In addition, it is shown that the salting-out of carbon dioxide in sodium chloride solutions is captured well using a predictive model.
Energy Technology Data Exchange (ETDEWEB)
DiLabio, Gino A., E-mail: Gino.DiLabio@nrc.ca [National Institute for Nanotechnology, National Research Council of Canada, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9 (Canada); Department of Chemistry, University of British Columbia, Okanagan, 3333 University Way, Kelowna, British Columbia V1V 1V7 (Canada); Koleini, Mohammad [National Institute for Nanotechnology, National Research Council of Canada, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9 (Canada); Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 2V4 (Canada)
2014-05-14
Dispersion-correcting potentials (DCPs) are atom-centered Gaussian functions that are applied in a manner that is similar to effective core potentials. Previous work on DCPs has focussed on their use as a simple means of improving the ability of conventional density-functional theory methods to predict the binding energies of noncovalently bonded molecular dimers. We show in this work that DCPs developed for use with the LC-ωPBE functional along with 6-31+G(2d,2p) basis sets are capable of simultaneously improving predicted noncovalent binding energies of van der Waals dimer complexes and covalent bond dissociation enthalpies in molecules. Specifically, the DCPs developed herein for the C, H, N, and O atoms provide binding energies for a set of 66 noncovalently bonded molecular dimers (the “S66” set) with a mean absolute error (MAE) of 0.21 kcal/mol, which represents an improvement of more than a factor of 10 over unadorned LC-ωPBE/6-31+G(2d,2p) and almost a factor of two improvement over LC-ωPBE/6-31+G(2d,2p) used in conjunction with the “D3” pairwise dispersion energy corrections. In addition, the DCPs reduce the MAE of calculated X-H and X-Y (X,Y = C, H, N, O) bond dissociation enthalpies for a set of 40 species from 3.2 kcal/mol obtained with unadorned LC-ωPBE/6-31+G(2d,2p) to 1.6 kcal/mol. Our findings demonstrate that broad improvements to the performance of DFT methods may be achievable through the use of DCPs.
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Kucharyson, J. F.; Cheng, L.; Tung, S. O.; Curtiss, L. A.; Thompson, L. T.
2017-07-14
New active materials are needed to improve the performance and reduce the cost of non-aqueous redox flow batteries (RFBs) for grid-scale energy storage applications. Efforts to develop better performing materials, which have largely been empirical, would benefit from a better understanding of relationships between structural, electronic and RFB-relevant functional properties. This paper focuses on metal-acetylacetonates, a class of metal coordination complexes that has shown promise for use in RFBs, and describes correlations between their experimentally measured standard potentials, solubilities, and stabilities (cycle lifes), and selected chemical, structural and electronic properties determined from Density Functional Theory (DFT) calculations. The training set consisted of 16 complexes including 5 different metals and 11 different substituents on the acetylacetonate ligand. Standard potentials for those compounds were calculated and are in good agreement with experimentally measured results. A predictive equation based on the solvation energies and dipole moments, two easily computed properties, reasonably modeled the experimentally determined solubilities. Importantly, we were able to identify a descriptor for the stability of acetylacetonates. The experimentally determined stability, quantified as the cycle life to a given degree of degradation, correlated with the percentage of the highest occupied (HOMO) or lowest unoccupied molecular orbital (LUMO) on the metal of the complex. This percentage is influenced by the degree of ligand innocence (irreducibility), and complexes with the most innocent ligands yielded the most stable redox reactions. To this end, VO(acetylacetonate)(2) and Fe(acetylacetonate)(3), with nearly 80% of the HOMO and LUMO on the metal, possessed the most stable oxidation and reduction half-reactions, respectively. The structure-function relationships and correlations presented in this paper could be used to predict new, highly soluble
Hughes, Adam P.; Thiele, Uwe; Archer, Andrew J.
2015-02-01
The contribution to the free energy for a film of liquid of thickness h on a solid surface due to the interactions between the solid-liquid and liquid-gas interfaces is given by the binding potential, g(h). The precise form of g(h) determines whether or not the liquid wets the surface. Note that differentiating g(h) gives the Derjaguin or disjoining pressure. We develop a microscopic density functional theory (DFT) based method for calculating g(h), allowing us to relate the form of g(h) to the nature of the molecular interactions in the system. We present results based on using a simple lattice gas model, to demonstrate the procedure. In order to describe the static and dynamic behaviour of non-uniform liquid films and drops on surfaces, a mesoscopic free energy based on g(h) is often used. We calculate such equilibrium film height profiles and also directly calculate using DFT the corresponding density profiles for liquid drops on surfaces. Comparing quantities such as the contact angle and also the shape of the drops, we find good agreement between the two methods. We also study in detail the effect on g(h) of truncating the range of the dispersion forces, both those between the fluid molecules and those between the fluid and wall. We find that truncating can have a significant effect on g(h) and the associated wetting behaviour of the fluid.
Tiwari, Manish K
2015-01-01
Structures and minimum molecular electrostatic potential (MEP) distributions in anacardic acid and some of its derivatives have been studied by full geometry optimization at the M06-2X/6-31G(d,p), WB97XD/6-31G(d,p) and B3LYP/6-31G(d,p) levels of density functional theory (DFT) in gas phase as well as in DMSO and aqueous solutions. Solvent effect was treated employing the integral equation formalism of the polarizable continuum model. Effects of modifications of the C1-side chain on the minimum MEP values in various regions were studied. Minimum MEP values near the oxygen atoms of the C2-OH group, oxygen or sulfur atoms of the C1-attached urea or thiourea groups and above or below the ring plane considered to be involved in interaction with the receptor were used to perform multiple linear regression. Experimentally observed anti-bacterial activities of these molecules against S. aureus are thus shown to be related to minimum MEP values in the above mentioned regions. Among the three DFT functionals used in th...
Directory of Open Access Journals (Sweden)
Yu.V. Kalyuzhnyi
2012-06-01
Full Text Available The liquid-gas phase diagram for polydisperse dipolar hard-sphere fluid with polydispersity in the hard-sphere size and dipolar moment is calculated using extension of the recently proposed thermodynamic perturbation theory for central force (TPT-CF associating potential. To establish the connection with the phase behavior of ferrocolloidal dispersions it is assumed that the dipole moment is proportional to the cube of the hard-sphere diameter. We present and discuss the full phase diagram, which includes cloud and shadow curves, binodals and distribution functions of the coexisting daughter phases at different degrees of the system polydispersity. In all cases studied polydispersity increases the region of the phase instability and shifts the critical point to the higher values of the temperature and density. The larger size particles always fractionate to the liquid phase and the smaller size particles tend to move to the gas phase. At relatively high values of the system polydispersity three-phase coexistence is observed.
Kabita, Kh; Maibam, Jameson; Indrajit Sharma, B.; Brojen Singh, R. K.; Thapa, R. K.
2016-01-01
We report first principles phase transition, elastic properties and electronic structure for cadmium telluride (CdTe) under induced pressure in the light of density functional theory using the local density approximation (LDA), generalised gradient approximation (GGA) and modified Becke-Johnson (mBJ) potential. The structural phase transition of CdTe from a zinc blende (ZB) to a rock salt (RS) structure within the LDA calculation is 2.2 GPa while that within GGA is found to be at 4 GPa pressure with a volume collapse of 20.9%. The elastic constants and parameters (Zener anisotropy factor, Shear modulus, Poisson’s ratio, Young’s modulus, Kleinmann parameter and Debye’s temperature) of CdTe at different pressures of both the phases have been calculated. The band diagram of the CdTe ZB structure shows a direct band gap of 1.46 eV as predicted by mBJ calculation which gives better results in close agreement with experimental results as compared to LDA and GGA. An increase in the band gap of the CdTe ZB phase is predicted under induced pressure while the metallic nature is retained in the CdTe RS phase.
Composite Photon Theory Versus Elementary Photon Theory
Perkins, Walton A
2015-01-01
The purpose of this paper is to show that the composite photon theory measures up well against the Standard Model's elementary photon theory. This is done by comparing the two theories area by area. Although the predictions of quantum electrodynamics are in excellent agreement with experiment (as in the anomalous magnetic moment of the electron), there are some problems, such as the difficulty in describing the electromagnetic field with the four-component vector potential because the photon has only two polarization states. In most areas the two theories give similar results, so it is impossible to rule out the composite photon theory. Pryce's arguments in 1938 against a composite photon theory are shown to be invalid or irrelevant. Recently, it has been realized that in the composite theory the antiphoton does not interact with matter because it is formed of a neutrino and an antineutrino with the wrong helicity. This leads to experimental tests that can determine which theory is correct.
Minazzoli, Olivier
2012-01-01
The effect of a universal scalar/matter coupling are investigated in Scalar-Tensor theories. It is shown that the metric can be put in its standard post-Newtonian form -- in contradiction with '$\\gamma$ parameter and Solar System constraint in chameleon-Brans-Dicke theory', Phys. Rev. D 83, 104019 (2011), 1201.0271, Saaidi et al. However, assuming the validity of an effective Lagrangian for the matter field, it is pointed out that $1-\\gamma$ could be either positive, null or negative for finite value of $\\omega$, depending on the coupling function; while Scalar-Tensor theories without coupling always predict $\\gamma<1$ for finite value of $\\omega$.
Bates, David Robert
1962-01-01
Quantum Theory: A Treatise in Three Volumes, I: Elements focuses on the principles, methodologies, and approaches involved in quantum theory, including quantum mechanics, linear combinations, collisions, and transitions. The selection first elaborates on the fundamental principles of quantum mechanics, exactly soluble bound state problems, and continuum. Discussions focus on delta function normalization, spherically symmetric potentials, rectangular potential wells, harmonic oscillators, spherically symmetrical potentials, Coulomb potential, axiomatic basis, consequences of first three postula
Energy Technology Data Exchange (ETDEWEB)
Sandbrink, Dirk
2015-01-26
One of the most promising candidates to describe the physics beyond the standard model is the so-called supersymmetry. This work was created in the context of the DESY-Muenster-Collaboration, which studies in particular the N=1 supersymmetric Yang-Mills theory (SYM). SYM is a comparatively simple theory, which is therefore well-suited to study the expected properties of a supersymmetric theory with the help of Monte Carlo simulations on the lattice. This thesis is focused on the numerical determination of the quarkpotential, the glueball masses and the phase structur of the N=1 supersymmetric Yang-Mills theory. The quarkpotential is used to calculate the Sommer scale, which in turn is needed to convert the dimensionless lattice spacing into physical units. Glueballs are hypothetical particles built out of gluons, their masses are relatively hard to determine in lattice simulations due to their pure gluonic nature. For this reason, various methods are studied to reduce the uncertainties of the mass determination. The focus lies on smearing methods and their use in variational smearing as well as on the use of different glueball operators. Lastly, a first look is taken at the phase diagram of the model at finite temperature. Various simulations have been performed at finite temperature in parallel to those performed at temperature zero to analyse the behaviour of the Polyakov loop and the gluino condensate in greater detail.
DEFF Research Database (Denmark)
Wæver, Ole
2009-01-01
Kenneth N. Waltz's 1979 book, Theory of International Politics, is the most influential in the history of the discipline. It worked its effects to a large extent through raising the bar for what counted as theoretical work, in effect reshaping not only realism but rivals like liberalism and refle......Kenneth N. Waltz's 1979 book, Theory of International Politics, is the most influential in the history of the discipline. It worked its effects to a large extent through raising the bar for what counted as theoretical work, in effect reshaping not only realism but rivals like liberalism...... and reflectivism. Yet, ironically, there has been little attention to Waltz's very explicit and original arguments about the nature of theory. This article explores and explicates Waltz's theory of theory. Central attention is paid to his definition of theory as ‘a picture, mentally formed' and to the radical anti......-empiricism and anti-positivism of his position. Followers and critics alike have treated Waltzian neorealism as if it was at bottom a formal proposition about cause-effect relations. The extreme case of Waltz being so victorious in the discipline, and yet being consistently mis-interpreted on the question of theory...
MORPHET, EDGAR L.; SCHUTZ, WILLIAM C.
THE PROBLEM OF ADMINISTRATOR SELECTION IN THE FIELD OF EDUCATION WAS STUDIED. THE ISSUE WAS CONCEPTUALIZED AS ONE OF UNDERSTANDING THE INTERACTION OF THE SCHOOL ADMINISTRATOR WITH SCHOOL BOARD MEMBERS, PARENTS, TEACHERS, AND OTHER SALIENT INDIVIDUALS. A THEORY OF ADMINISTRATIVE INTERACTION WAS DEVELOPED USING THE FUNDAMENTAL INTERPERSONAL…
Directory of Open Access Journals (Sweden)
Sedigheh Moghavvemi
2014-03-01
Full Text Available Purpose – a great number of models investigate individual intention towards adopting and using information technology. However, the complex link between intention and behavior suggests that it may require more scrutiny (intention behavior gap. The link between the intention and behavior is most likely influenced by a number of factors, some controllable, others uncontrollable; therefore, external factors are likely to play a significant role. However, IS literature on the subject is extremely lacking. One of the popular theories in this context is the UTAUT model, which has certain limitations, especially when it concerns intention behavior gaps. Research on the entrepreneurship context identified precipitating events as a promising candidate to overcome such limitations. To address the gap in the UTAUT and improve the model, it is reviewed and empirically compared to the Entrepreneurial Potential Model (EPM in order to allow us to develop a new model that integrates elements from the two models in order to capture the different factors of IT adoption behavior.Methodology – a longitudinal survey approach is appropriate for this study, since this research design allows the researcher to test the overall fit of the integrative TADU model. The longitudinal study is appropriate to test the relationship between intention and use behavior and the effect of precipitating events on the time that intention is formed and behavior is performed. This is an ongoing research, and at this stage, the authors are mainly developing a theoretical argument and methodology that is currently in the process of being tested.Results – the new model mitigates the limitations arising from the UTAUT, particularly its predictive ability, and it also reduces the ‘distal nature’ between intention and use behavior.Study limitation – the paper represents work in progress and may some researcher criticize it in term of the predicted results.Practical significance
The Principal's Theory of Mind
DEFF Research Database (Denmark)
Foss, Nicolai Juul; Stea, Diego
Agency theory is one of the most important foundational theories in management research, but it rests on tenuous cognitive assumptions. We combine classical agency theory with a realistic theory of the intrinsically imperfect human potential for interpersonal sensemaking. This allows us to system...
Irvine, J M
1972-01-01
Nuclear Structure Theory provides a guide to nuclear structure theory. The book is comprised of 23 chapters that are organized into four parts; each part covers an aspect of nuclear structure theory. In the first part, the text discusses the experimentally observed phenomena, which nuclear structure theories need to look into and detail the information that supports those theories. The second part of the book deals with the phenomenological nucleon-nucleon potentials derived from phase shift analysis of nucleon-nucleon scattering. Part III talks about the phenomenological parameters used to de
2013-04-01
thus allowing researchers to efficiently and safely screen candidate materials and focus synthesis efforts on the most promising compounds. While...Methyl picrate 192 (37) 3-nitro-1,2,4- triazole -5-one NTO 291 (37) 3 3. Results and Discussion Inspired by the work of Murray et al. (12) and Rice...functional theory Methyl picrate 2-methoxy-1,3,5-trinitrobenzene NQ nitroguanidine NTO 3-nitro-1,2,4- triazole -5-one PBE Perdew, Burke, and Ernzerhof
Nekrasov, Nikita
2004-01-01
We present the evidence for the existence of the topological string analogue of M-theory, which we call Z-theory. The corners of Z-theory moduli space correspond to the Donaldson-Thomas theory, Kodaira-Spencer theory, Gromov-Witten theory, and Donaldson-Witten theory. We discuss the relations of Z-theory with Hitchin's gravities in six and seven dimensions, and make our own proposal, involving spinor generalization of Chern-Simons theory of three-forms. Based on the talk at Strings'04 in Paris.
Energy Technology Data Exchange (ETDEWEB)
Dios, R.A.
1984-01-01
This dissertation focuses upon the field of probabilistic risk assessment and its development. It investigates the development of probabilistic risk assessment in nuclear engineering. To provide background for its development, the related areas of population dynamics (demography), epidemiology and actuarial science are studied by presenting information upon how risk has been viewed in these areas over the years. A second major problem involves presenting an overview of the mathematical models related to risk analysis to mathematics educators and making recommendations for presenting this theory in classes of probability and statistics for mathematics and engineering majors at the undergraduate and graduate levels.
Ovsiyuk, E; Veko, O
2011-01-01
It is shown that Schr\\"odinger equation with combination of three potentials U = - {\\alpha} r^{-1} + {\\beta} r + kr^{2}, Coulomb, linear and harmonic, the potential often used to describe quarkonium, is reduced to a bi-confluent Heun differential equation. The method to construct its solutions in the form of polynomials is developed, however with additional constraints in four parameters of the model, {\\alpha}, {\\beta}, k, l. The energy spectrum looks as a modified combination of oscillator and Coulomb parts.
Misquitta, Alston J; Stone, Anthony J
2016-09-13
Creating accurate, analytic atom-atom potentials for small organic molecules from first principles can be a time-consuming and computationally intensive task, particularly if we also require them to include explicit polarization terms, which are essential in many systems. We describe how the CamCASP suite of programs can be used to generate such potentials using some of the most accurate electronic structure methods currently applicable. We derive the long-range terms from monomer properties and determine the short-range anisotropy parameters by a novel and robust method based on the iterated stockholder atom approach. Using these techniques, we develop distributed multipole models for the electrostatic, polarization, and dispersion interactions in the pyridine dimer and develop a series of many-body potentials for the pyridine system. Even the simplest of these potentials exhibits root mean square errors of only about 0.6 kJ mol(-1) for the low-energy pyridine dimers, significantly surpassing the best empirical potentials. Our best model is shown to support eight stable minima, four of which have not been reported before in the literature. Further, the functional form can be made systematically more elaborate so as to improve the accuracy without a significant increase in the human-time spent in their generation. We investigate the effects of anisotropy, rank of multipoles, and choice of polarizability and dispersion models.
Lynch, Gillian C.; Steckler, Rozeanne; Varandas, Antonio J. C.; Truhlar, Donald G.; Schwenke, David W.
1991-01-01
New ab initio results and a double many-body expansion formalism have been used to parameterize a new FH2 potential energy surface with improved properties near the saddle point and in the region of long-range attraction. The functional form of the new surface includes dispersion forces by a double many-body expansion. Stationary point properties for the new surface are calculated along with the product-valley barrier maxima of vibrationally adiabatic potential curves for F + H2 - HF(nu-prime = 3) + H, F + HD - HF(nu-prime = 3) + D, and F + D2 - DF(nu-prime = 4) + D. The new surface should prove useful for studying the effect on dynamics of a low, early barrier with a wide, flat bend potential.
Smith, Phillip V; Radny, Marian W; Shah, G Ali
2013-02-01
The MBJLDA xc potential (modified Becke-Johnson exchange potential with local density approximation correlation) proposed by Tran and Blaha has been designed and shown to significantly improve the description of the fundamental energy gaps of a wide range of bulk materials. Recently we reported that combining this MBJLDA xc potential with spin-orbit interactions and local density approximation pseudopotentials within the plane wave density functional method led to results for bulk germanium that were at least as accurate as those obtained from far more sophisticated and computationally expensive methods such as the GW method. Here we demonstrate that the application of this approach to the Ge(100)c(4×2) surface yields results that are in excellent agreement with the available experimental data.
Jones, R. T. (Compiler)
1979-01-01
A collection of papers on modern theoretical aerodynamics is presented. Included are theories of incompressible potential flow and research on the aerodynamic forces on wing and wing sections of aircraft and on airship hulls.
Pierret, Frédéric
2016-01-01
Using our mathematical framework developed in \\cite{cresson-pierret_scale} called \\emph{scale dynamics}, we propose in this paper a new way of interpreting the problem of adding or modifying potentials in mechanics and specifically in galactic dynamics. An application is done for the two-body problem with a Keplerian potential showing that the velocity of the orbiting body is constant. This would explain the observed phenomenon in the flat rotation curves of galaxies without adding \\emph{dark matter} or modifying Newton's law of dynamics.
Le, Jiabo; Iannuzzi, Marcella; Cuesta, Angel; Cheng, Jun
2017-07-01
We develop a computationally efficient scheme to determine the potentials of zero charge (PZC) of metal-water interfaces with respect to the standard hydrogen electrode. We calculate the PZC of Pt(111), Au(111), Pd(111) and Ag(111) at a good accuracy using this scheme. Moreover, we find that the interface dipole potentials are almost entirely caused by charge transfer from water to the surfaces, the magnitude of which depends on the bonding strength between water and the metals, while water orientation hardly contributes at the PZC conditions.
Vries, Hylke de
2006-01-01
The development of extra-tropical cyclones has been investigated for a model hierarchy. The aim of the study was to get insight into the main mechanisms responsible for the rapid development. A physically intuitive approach in terms of potential vorticity has been invoked to construct so-called
Marino Beiras, Marcos
2001-01-01
We give an overview of the relations between matrix models and string theory, focusing on topological string theory and the Dijkgraaf--Vafa correspondence. We discuss applications of this correspondence and its generalizations to supersymmetric gauge theory, enumerative geometry and mirror symmetry. We also present a brief overview of matrix quantum mechanical models in superstring theory.
DEFF Research Database (Denmark)
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....
Levy, Mel
2016-01-01
It is observed that the exact interacting ground-state electronic energy of interest may be obtained directly, in principle, as a simple sum of orbital energies when a universal density-dependent term is added to $w\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$, the familiar Hartree plus exchange-correlation component in the Kohn-Sham effective potential. The resultant shifted potential, $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$, actually changes less on average than $w\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ when the density changes, including the fact that $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ does not undergo a discontinuity when the number of electrons increases through an integer. Thus the approximation of $\\bar{w}\\left(\\left[ \\rho \\right];\\mathbf{r} \\right)$ represents an alternative direct approach for the approximation of the ground-state energy and density.
Ceh; Lasic
1997-01-01
Many drugs are successfully loaded into preformed liposomes by using various gradients and transmembrane potential. Several experimental breakthroughs, however, have not been paralleled by theoretical understanding of the processes. Recently, we have developed a rigorous treatment of loading of weak acids and bases into liposomes. The model is based on equilibration of chemical potentials of permeable neutral species. Charged molecules are not allowed to permeate the membrane. Although this assumption is quite reasonable and experimental data fit the theoretical predictions rather well, we have extended the model of liposome loading. In the expanded model, terms which allow leakage of protons, buildup of the transmembrane pH gradient, an antiport exchange of various cations with protons, and leakage of other molecules from or into liposomes are added to the basic model.
Pašteka, L. F.; Eliav, E.; Borschevsky, A.; Kaldor, U.; Schwerdtfeger, P.
2017-01-01
The first ionization potential (IP) and electron affinity (EA) of the gold atom have been determined to an unprecedented accuracy using relativistic coupled cluster calculations up to the pentuple excitation level including the Breit and QED contributions. We reach meV accuracy (with respect to the experimental values) by carefully accounting for all individual contributions beyond the standard relativistic coupled cluster approach. Thus, we are able to resolve the long-standing discrepancy between experimental and theoretical IP and EA of gold.
Shen, Lin; Yang, Weitao
2016-04-12
We developed a new multiresolution method that spans three levels of resolution with quantum mechanical, atomistic molecular mechanical, and coarse-grained models. The resolution-adapted all-atom and coarse-grained water model, in which an all-atom structural description of the entire system is maintained during the simulations, is combined with the ab initio quantum mechanics and molecular mechanics method. We apply this model to calculate the redox potentials of the aqueous ruthenium and iron complexes by using the fractional number of electrons approach and thermodynamic integration simulations. The redox potentials are recovered in excellent accordance with the experimental data. The speed-up of the hybrid all-atom and coarse-grained water model renders it computationally more attractive. The accuracy depends on the hybrid all-atom and coarse-grained water model used in the combined quantum mechanical and molecular mechanical method. We have used another multiresolution model, in which an atomic-level layer of water molecules around redox center is solvated in supramolecular coarse-grained waters for the redox potential calculations. Compared with the experimental data, this alternative multilayer model leads to less accurate results when used with the coarse-grained polarizable MARTINI water or big multipole water model for the coarse-grained layer.
SO(n)规范势的可分解理论%General Decomposition Theory of SO(n) Gauge Potential
Institute of Scientific and Technical Information of China (English)
李希国; 段一士; 等
2001-01-01
使用几何代数方法，研究了n维紧致黎曼流形上SO(n)规范势(自旋联络)的一般分解理论，建立了SO(n)规范场用球丛上单位矢量场n分解的一般表达式. 由此，分别得到了U(1)规范场和U(2)规范场用单位矢量场n分解的一般形式.%By means of devices of geometry algebra the general decomposition of gauge potential (spin connection) on a compact n-dimension Riemannian manifold has been studied in detail. A general decomposition formula of SO(n) gauge potential in terms of a unit vector field on the sphere bundle has been established. Using same local structure between SO(2) and U(1)， SO(3) and SU(2) the general decomposition formula of U(1) and SU(2) gauge potential in terms of the unit vector field has been also given respectively
Markó, Gergely; Szép, Zsolt
2012-01-01
We study the phase transition of a real scalar phi^4 theory in the two-loop Phi-derivable approximation using the imaginary time formalism, extending our previous (analytical) discussion of the Hartree approximation. We combine Fast Fourier Transform algorithms and accelerated Matsubara sums in order to achieve a high accuracy. Our results confirm and complete earlier ones obtained in the real time formalism [1] but which were less accurate due to the integration in Minkowski space and the discretization of the spectral density function. We also provide a complete and explicit discussion of the renormalization of the two-loop Phi-derivable approximation at finite temperature, both in the symmetric and in the broken phase, which was already used in the real-time approach, but never published. Our main result is that the two-loop Phi-derivable approximation suffices to cure the problem of the Hartree approximation regarding the order of the transition: the transition is of the second order type, as expected on ...
Chermahini, Alireza Najafi; Hosseinzadeh, Behzad; Beni, Alireza Salimi; Teimouri, Abbas; Moradi, Mahmood
2014-02-01
A density functional theory (DFT) method (periodic DMol(3)) with full geometry optimization was used to study the adsorption of tautomeric forms of tetrazole on anatase TiO2 (101), (100), and (001) surfaces. It was found that the adsorption of tetrazole on the TiO2 surfaces does not proceed via a dissociative process, and negative shifts in the Fermi level of TiO2 were noted upon N-containing heterocycle adsorption. The configuration of the tetrazole during adsorption and the corresponding adsorption energies on different surfaces and sites were estimated. In addition, it was found that tetrazole may be adsorbed on TiO2 surfaces through an interaction between a cation on the surface and a lone pair on the N1 or N2 atom of the tetrazole molecule. The results indicate that the adsorption of tetrazole through the N2 position (leading to the 1H tautomer) on an anatase TiO2 surface is favored over adsorption through the N1 position. In addition, it was observed that the photocatalytic activity of tetrazole-doped TiO2 is higher than that of a pure anatase TiO2 surface.
Evans, N
2003-01-01
String theory began life in the late 1960s as an attempt to understand the properties of nuclear matter such as protons and neutrons. Although it was not successful it has since developed a life of its own as a possible theory of everything - with the potential to incorporate quantum gravity as well as the other forces of nature. However, in a remarkable about face in the last five years, it has now been discovered that string theory and the standard theory of nuclear matter - QCD - might in fact describe the same physics. This is an exciting development that was the centre of discussion at a major workshop in Seattle in February. After spending 30 years as a possible theory of everything, string theory is returning to its roots to describe the interactions of quarks and gluons. (U.K.)
Energy Technology Data Exchange (ETDEWEB)
Kim, Inkoo; Lee, Yoon Sup, E-mail: yslee@kaist.edu [Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of)
2014-10-28
We report the formulation and implementation of KRCASPT2, a two-component multi-configurational second-order perturbation theory based on Kramers restricted complete active space self-consistent field (KRCASSCF) reference function, in the framework of the spin-orbit relativistic effective core potential. The zeroth-order Hamiltonian is defined as the sum of nondiagonal one-electron operators with generalized two-component Fock matrix elements as scalar factors. The Kramers symmetry within the zeroth-order Hamiltonian is maintained via the use of a state-averaged density, allowing a consistent treatment of degenerate states. The explicit expressions are derived for the matrix elements of the zeroth-order Hamiltonian as well as for the perturbation vector. The use of a fully variational reference function and nondiagonal operators in relativistic multi-configurational perturbation theory is reported for the first time. A series of initial calculations are performed on the ionization potential and excitation energies of the atoms of the 6p-block; the results display a significant improvement over those from KRCASSCF, showing a closer agreement with experimental results. Accurate atomic properties of the superheavy elements of the 7p-block are also presented, and the electronic structures of the low-lying excited states are compared with those of their lighter homologues.
Kim, Inkoo; Lee, Yoon Sup
2014-10-28
We report the formulation and implementation of KRCASPT2, a two-component multi-configurational second-order perturbation theory based on Kramers restricted complete active space self-consistent field (KRCASSCF) reference function, in the framework of the spin-orbit relativistic effective core potential. The zeroth-order Hamiltonian is defined as the sum of nondiagonal one-electron operators with generalized two-component Fock matrix elements as scalar factors. The Kramers symmetry within the zeroth-order Hamiltonian is maintained via the use of a state-averaged density, allowing a consistent treatment of degenerate states. The explicit expressions are derived for the matrix elements of the zeroth-order Hamiltonian as well as for the perturbation vector. The use of a fully variational reference function and nondiagonal operators in relativistic multi-configurational perturbation theory is reported for the first time. A series of initial calculations are performed on the ionization potential and excitation energies of the atoms of the 6p-block; the results display a significant improvement over those from KRCASSCF, showing a closer agreement with experimental results. Accurate atomic properties of the superheavy elements of the 7p-block are also presented, and the electronic structures of the low-lying excited states are compared with those of their lighter homologues.
Zhou, Shiqi; Zhou, Run
2017-08-01
Using the TL (Tang and Lu, 1993) method, Ornstein-Zernike integral equation is solved perturbatively under the mean spherical approximation (MSA) for fluid with potential consisting of a hard sphere plus square-well plus square-shoulder (HS + SW + SS) to obtain first-order analytic expressions of radial distribution function (RDF), second-order direct correlation function, and semi-analytic expressions for common thermodynamic properties. A comprehensive comparison between the first-order MSA and high temperature series expansion (HTSE) to third-, fifth- and seventh-order is performed over a wide parameter range for both a HS + SW and the HS + SW + SS model fluids by using corresponding ;exact; Monte Carlo results as a reference; although the HTSE is carried out up to seventh-order, and not to the first order as the first-order MSA the comparison is considered fair from a calculation complexity perspective. It is found that the performance of the first-order MSA is dramatically model-dependent: as target potentials go from the HS + SW to the HS + SW + SS, (i) there is a dramatic dropping of performance of the first-order MSA expressions in calculating the thermodynamic properties, especially both the excess internal energy and constant volume excess heat capacity of the HS + SW + SS model cannot be predicted even qualitatively correctly. (ii) One tendency is noticed that the first-order MSA gets more reliable with increasing temperatures in dealing with the pressure, excess Helmholtz free energy, excess enthalpy and excess chemical potential. (iii) Concerning the RDF, the first-order MSA is not as disappointing as it displays in the cases of thermodynamics. (iv) In the case of the HS + SW model, the first-order MSA solution is shown to be quantitatively correct in calculating the pressure and excess chemical potential even if the reduced temperatures are as low as 0.8. On the other hand, the seventh-order HTSE is less model-dependent; in most cases of the HS + SW
Jedidi, Abdesslem
2015-11-13
Vibrational fingerprints of small PtnP2n (n = 1–5) clusters were computed from their low-lying structures located from a global exploration of their DFT potential energy surfaces with the GSAM code. Five DFT methods were assessed from the CCSD(T) wavenumbers of PtP2 species and CCSD relative energies of Pt2P4 structures. The eight first PtnP2n isomers found are reported. The vibrational computations reveal (i) the absence of clear signatures made by overtone or combination bands due to very weak mechanical and electrical anharmonicities and (ii) some significant and recurrent vibrational fingerprints in correlation with the different PP bonding situations in the PtnP2n structures.
Order Theory in Environmental Sciences
DEFF Research Database (Denmark)
Sørensen, P. B.; Brüggemann, R.; Lerche, D. B.
This is the proceeding from the fifth workshop in Order Theory in Environ-mental Science. In this workshop series the concept of Partial Order Theory is development in relation to application and the use is tested based on specific problems. The Partial Order Theory will have a potential use...
Topological Excitation in Skyrme Theory
Institute of Scientific and Technical Information of China (English)
DUAN Yi-Shi; ZHANG Xin-Hui; LIU Yu-Xiao
2007-01-01
Based on the φ-mapping topological current theory and the decomposition of gauge potential theory, we investigate knotted vortex lines and monopoles in Skyrme theory and simply discuss the branch processes (splitting, merging, and intersection) during the evolution of the monopoles.
Quantal Density Functional Theory II
Sahni, Viraht
2009-01-01
Discusses approximation methods and applications of Quantal Density Functional Theory (QDFT), a local effective-potential-energy theory of electronic structure. This book describes approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT
Kehoe, Aoife B.; Scanlon, David O.; Watson, Graeme W.
2016-05-01
The geometric and electronic properties of a series of potential photovoltaic materials, the sulvanite structured \\text{C}{{\\text{u}}3}MC{{h}4} (M = V, Nb, Ta; Ch = S, Se, Te), have been computationally examined using both PBEsol+U and HSE06 methods to assess the materials’ suitability for solar cell application and to compare the predictions of the two theoretical approaches. The lattice parameters, electronic density of states, and band gaps of the compounds have been calculated to ascertain the experimental agreement obtained by each method and to determine if any of the systems have an optical band gap appropriate for photovoltaic absorber materials. The PBEsol+U results are shown to achieve better agreement with experiment than HSE06 in terms of both lattice constants and band gaps, demonstrating that higher level theoretical methods do not automatically result in a greater level of accuracy than their computationally less expensive counterparts. The PBEsol+U calculated optical band gaps of five materials suggest potential suitability as photovoltaic absorbers, with values of 1.72 eV, 1.49 eV, 1.19 eV, 1.46 eV, and 1.69 eV for Cu3VS4, Cu3VSe4, Cu3VTe4, Cu3NbTe4, and Cu3TaTe4, respectively, although it should be noted that all fundamental band gaps are indirect in nature, which could lower the open-circuit voltage and hence the efficiency of prospective devices.
Johnstone, PT
2014-01-01
Focusing on topos theory's integration of geometric and logical ideas into the foundations of mathematics and theoretical computer science, this volume explores internal category theory, topologies and sheaves, geometric morphisms, other subjects. 1977 edition.
Institute of Scientific and Technical Information of China (English)
黄洪全
2015-01-01
思想政治教育的潜能观指人是有潜能的，受教育者是有潜能的，教育者也是有潜能的，整个思想政治教育过程便在于人的潜能的挖掘、激发和释放。思想政治教育必须注重人的潜能（可分为个体潜能、集体潜能和社会潜能等各个不同的层面），这不仅因为它本身的存在就起源于这种潜能，它时时刻刻都现实地关联和面对着这种潜能，还因为这种潜能的发掘和现实化程度直接标志着它是否产生了实效性，以及它产生出来的实效性的大小。思想政治教育奠基于潜能，由潜能组建，由潜能推动，由潜能实现。潜能具有普遍性和无限性。人和社会的发展的过程，便是其现实的潜能不断释放出来的过程，不断自我突破和自我创造的过程。潜能和生产生活实践联系在一起。只有通过现实的生产生活实践，才能了解和发展人的潜能；只有通过潜能的释放和创造，才能推动和推进各领域的生产生活实践。%The knowledge potential theory of ideological and political education is convened with both educators ’and students’potentials of knowledge.The ideological and political education process is how to discover,excite,and release one’s knowledge potential.Such potential includes three aspects:individual knowledge potential,group knowledge potential,and society knowledge potential not only because the existence of education originates from and faces such potential but also because the discovery and realization of one’s knowledge potential is a importance milestone of education effectiveness.The ideological and political education is based on one’s knowledge potential,and the key part is the knowledge potential.The ideological and political education is driven and realized through one’s knowledge potential.The knowledge potential is universal and unlimited,which is released and realized from a process of human
Schindler, Sebastian; Zell, Eduard; Botsch, Mario; Kissler, Johanna
2017-03-01
Cartoon characters are omnipresent in popular media. While few studies have scientifically investigated their processing, in computer graphics, efforts are made to increase realism. Yet, close approximations of reality have been suggested to evoke sometimes a feeling of eeriness, the “uncanny valley” effect. Here, we used high-density electroencephalography to investigate brain responses to professionally stylized happy, angry, and neutral character faces. We employed six face-stylization levels varying from abstract to realistic and investigated the N170, early posterior negativity (EPN), and late positive potential (LPP) event-related components. The face-specific N170 showed a u-shaped modulation, with stronger reactions towards both most abstract and most realistic compared to medium-stylized faces. For abstract faces, N170 was generated more occipitally than for real faces, implying stronger reliance on structural processing. Although emotional faces elicited highest amplitudes on both N170 and EPN, on the N170 realism and expression interacted. Finally, LPP increased linearly with face realism, reflecting activity increase in visual and parietal cortex for more realistic faces. Results reveal differential effects of face stylization on distinct face processing stages and suggest a perceptual basis to the uncanny valley hypothesis. They are discussed in relation to face perception, media design, and computer graphics.
Schindler, Sebastian; Zell, Eduard; Botsch, Mario; Kissler, Johanna
2017-01-01
Cartoon characters are omnipresent in popular media. While few studies have scientifically investigated their processing, in computer graphics, efforts are made to increase realism. Yet, close approximations of reality have been suggested to evoke sometimes a feeling of eeriness, the “uncanny valley” effect. Here, we used high-density electroencephalography to investigate brain responses to professionally stylized happy, angry, and neutral character faces. We employed six face-stylization levels varying from abstract to realistic and investigated the N170, early posterior negativity (EPN), and late positive potential (LPP) event-related components. The face-specific N170 showed a u-shaped modulation, with stronger reactions towards both most abstract and most realistic compared to medium-stylized faces. For abstract faces, N170 was generated more occipitally than for real faces, implying stronger reliance on structural processing. Although emotional faces elicited highest amplitudes on both N170 and EPN, on the N170 realism and expression interacted. Finally, LPP increased linearly with face realism, reflecting activity increase in visual and parietal cortex for more realistic faces. Results reveal differential effects of face stylization on distinct face processing stages and suggest a perceptual basis to the uncanny valley hypothesis. They are discussed in relation to face perception, media design, and computer graphics. PMID:28332557
Arguissain, Federico G; Biurrun Manresa, José A; Mørch, Carsten D; Andersen, Ole K
2015-01-30
To date, few studies have combined the simultaneous acquisition of nociceptive withdrawal reflexes (NWR) and somatosensory evoked potentials (SEPs). In fact, it is unknown whether the combination of these two signals acquired simultaneously could provide additional information on somatosensory processing at spinal and supraspinal level compared to individual NWR and SEP signals. By using the concept of mutual information (MI), it is possible to quantify the relation between electrical stimuli and simultaneous elicited electrophysiological responses in humans based on the estimated stimulus-response signal probability distributions. All selected features from NWR and SEPs were informative in regard to the stimulus when considered individually. Specifically, the information carried by NWR features was significantly higher than the information contained in the SEP features (pinformation carried by the combination of features showed an overall redundancy compared to the sum of the individual contributions. Comparison with existing methods MI can be used to quantify the information that single-trial NWR and SEP features convey, as well as the information carried jointly by NWR and SEPs. This is a model-free approach that considers linear and non-linear correlations at any order and is not constrained by parametric assumptions. The current study introduces a novel approach that allows the quantification of the individual and joint information content of single-trial NWR and SEP features. This methodology could be used to decode and interpret spinal and supraspinal interaction in studies modulating the responsiveness of the nociceptive system. Copyright © 2014 Elsevier B.V. All rights reserved.
Schindler, Sebastian; Zell, Eduard; Botsch, Mario; Kissler, Johanna
2017-03-23
Cartoon characters are omnipresent in popular media. While few studies have scientifically investigated their processing, in computer graphics, efforts are made to increase realism. Yet, close approximations of reality have been suggested to evoke sometimes a feeling of eeriness, the "uncanny valley" effect. Here, we used high-density electroencephalography to investigate brain responses to professionally stylized happy, angry, and neutral character faces. We employed six face-stylization levels varying from abstract to realistic and investigated the N170, early posterior negativity (EPN), and late positive potential (LPP) event-related components. The face-specific N170 showed a u-shaped modulation, with stronger reactions towards both most abstract and most realistic compared to medium-stylized faces. For abstract faces, N170 was generated more occipitally than for real faces, implying stronger reliance on structural processing. Although emotional faces elicited highest amplitudes on both N170 and EPN, on the N170 realism and expression interacted. Finally, LPP increased linearly with face realism, reflecting activity increase in visual and parietal cortex for more realistic faces. Results reveal differential effects of face stylization on distinct face processing stages and suggest a perceptual basis to the uncanny valley hypothesis. They are discussed in relation to face perception, media design, and computer graphics.
When is a theory a theory? A case example.
Alkin, Marvin C
2016-10-15
This discussion comments on the approximately 20years history of writings on the prescriptive theory called Empowerment Evaluation. To do so, involves examining how "Empowerment Evaluation Theory" has been defined at various points of time (particularly 1996 and now in 2015). Defining a theory is different from judging the success of a theory. This latter topic has been addressed elsewhere by Michael Scriven, Michael Patton, and Brad Cousins. I am initially guided by the work of Robin Miller (2010) who has written on the issue of how to judge the success of a theory. In doing so, she provided potential standards for judging the adequacy of theories. My task is not judging the adequacy or success of the Empowerment Evaluation prescriptive theory in practice, but determining how well the theory is delineated. That is, to what extent do the writings qualify as a prescriptive theory.
Williams, Jeffrey
1994-01-01
Considers the recent flood of anthologies of literary criticism and theory as exemplifications of the confluence of pedagogical concerns, economics of publishing, and other historical factors. Looks specifically at how these anthologies present theory. Cites problems with their formatting theory and proposes alternative ways of organizing theory…
DEFF Research Database (Denmark)
Linder, Stefan; Foss, Nicolai Juul
Agency theory studies the problems and solutions linked to delegation of tasks from principals to agents in the context of conflicting interests between the parties. Beginning from clear assumptions about rationality, contracting and informational conditions, the theory addresses problems of ex...... agency theory to enjoy considerable scientific impact on social science; however, it has also attracted considerable criticism....
Liu, Dong-Yan; Li, Yi-Han; Xu, Yan-Tong; Zhu, Yan
2016-03-01
There have been many reports about the anti-aging effect of traditional Chinese medicine (TCM), but the material basis and mechanism of action have not been clearly elucidated. AMP-activated protein kinase (AMPK) is the receptor of energy metabolism and its life extending effect has been confirmed in different experiments. Over expression or activation with metform in of AAK-2/AMPK has been shown to extend life expectancy in nematodes and Drosophila. The possible downstream pathways of AMPK against aging include TOR/S6k pathway, FOXOs pathway and CRTC pathway. One of the core concepts of traditional Chinese medicine is disease prevention, for which one of manifestations is to improve the body with the same source of medicine and food to achieve longevity. It is possible to activate AMPK to achieve the goal of health preservation and prolonging the life by some of the "medicine-food harmony" treatments. Our survey finds that in "medicine-food harmony" compound TCM, "invigorating the kidney deficiency and promoting blood circulation" class dominates and Salviae Miltiorrhizae Radix Rhizoma, Astragali Radix, Coptidis Rhizoma, Poria, Atractylodes Macrocephalae Rhizoma, Radix et Rhizoma Rhei, and Ginseng Radix et Rhizoma are used in high frequency. Network pharmacology analysis using ingenuity pathway analysis (IPA) software revealed that TCM-derived drugs interacting with AMPK target proteins included berberine, emodin, curcumin, resveratrol, alcohol, cordyceps, arctiin, suggesting in a certain extent the feasibility of "medicine -food homology" drugs to extend the lifespan through the AMPK pathway. Our study combines a comprehensive database query and an IPA network pharmacology analysis to identify Chinese medicine monomer and components that may activate AMPK pathway to delay aging and to discuss the potential of these medicine by improving energy metabolism to delay the aging process, based on the concept of traditional Chinese medicine "medicine-food homology
Torres, Edmanuel; DiLabio, Gino A
2013-08-13
Large clusters of noncovalently bonded molecules can only be efficiently modeled by classical mechanics simulations. One prominent challenge associated with this approach is obtaining force-field parameters that accurately describe noncovalent interactions. High-level correlated wave function methods, such as CCSD(T), are capable of correctly predicting noncovalent interactions, and are widely used to produce reference data. However, high-level correlated methods are generally too computationally costly to generate the critical reference data required for good force-field parameter development. In this work we present an approach to generate Lennard-Jones force-field parameters to accurately account for noncovalent interactions. We propose the use of a computational step that is intermediate to CCSD(T) and classical molecular mechanics, that can bridge the accuracy and computational efficiency gap between them, and demonstrate the efficacy of our approach with methane clusters. On the basis of CCSD(T)-level binding energy data for a small set of methane clusters, we develop methane-specific, atom-centered, dispersion-correcting potentials (DCPs) for use with the PBE0 density-functional and 6-31+G(d,p) basis sets. We then use the PBE0-DCP approach to compute a detailed map of the interaction forces associated with the removal of a single methane molecule from a cluster of eight methane molecules and use this map to optimize the Lennard-Jones parameters for methane. The quality of the binding energies obtained by the Lennard-Jones parameters we obtained is assessed on a set of methane clusters containing from 2 to 40 molecules. Our Lennard-Jones parameters, used in combination with the intramolecular parameters of the CHARMM force field, are found to closely reproduce the results of our dispersion-corrected density-functional calculations. The approach outlined can be used to develop Lennard-Jones parameters for any kind of molecular system.
Directory of Open Access Journals (Sweden)
Suhufa Alfarisa
2016-03-01
Full Text Available This research aims i to determine the density profile and calculate the ground state energy of a quantum dot in two dimensions (2D with a harmonic oscillator potential using orbital-free density functional theory, and ii to understand the effect of the harmonic oscillator potential strength on the electron density profiles in the quantum dot. This study determines the total energy functional of the quantum dot that is a functional of the density that depends only on spatial variables. The total energy functional consists of three terms. The first term is the kinetic energy functional, which is the Thomas–Fermi approximation in this case. The second term is the external potential. The harmonic oscillator potential is used in this study. The last term is the electron–electron interactions described by the Coulomb interaction. The functional is formally solved to obtain the electron density as a function of spatial variables. This equation cannot be solved analytically, and thus a numerical method is used to determine the profile of the electron density. Using the electron density profiles, the ground state energy of the quantum dot in 2D can be calculated. The ground state energies obtained are 2.464, 22.26, 90.1957, 252.437, and 496.658 au for 2, 6, 12, 20, and 56 electrons, respectively. The highest electron density is localized close to the middle of the quantum dot. The density profiles decrease with the increasing distance, and the lowest density is at the edge of the quantum dot. Generally, increasing the harmonic oscillator potential strength reduces the density profiles around the center of the quantum dot.
"There's Something About Comedy Theory"
DEFF Research Database (Denmark)
Nielsen, Jakob Isak
2008-01-01
The article test the analytical potential of three major theories of comedy in relation to a canonic scene in There's Something About Mary (1998)......The article test the analytical potential of three major theories of comedy in relation to a canonic scene in There's Something About Mary (1998)...
Institute of Scientific and Technical Information of China (English)
双文元; 郝晋珉; 艾东; 黄晓英; 张玲娥; 孟鹏; 朱传民
2013-01-01
农村居民点整治是农村土地整治的重要抓手，也是新农村建设的必然选择。该文引入经济地理学的区位势理论，从区位角度对农村居民点开展定量研究，提出农村居民点区位势的概念，分析影响区位势的因素，构建农村居民点区位势模型，计算农村居民点的区位势和区位势能。以居民点区位势和区位势能为表征量，采用 GIS技术对农村居民点进行分区，并对居民点采用不同整治模式。以河北省曲周县为例，运用该技术方法对居民点用地进行整治，研究结果体现了影响农居点用地发展的各项因素和现势性，符合当地实际，在土地整治规划应用中取得良好的效果，验证了理论的可行和实用。该研究为实现农村居民点多元化和因地制宜的整治和发展模式，为农村居民点整治规划开辟了一条途径。%Rural residential land consolidation is an important part of rural land consolidation, which is also helpful in redeveloping rural vacant and underutilized land, prompting rural land use intensity, improving agricultural production and facilitating rural infrastructure, etc. On the occasion of urban and rural integrated developments, relevant theories and practices should be advanced or adopted to improve the feasibility of local rural residential land consolidation. With the help of location potential theory, this paper performed quantitative analysis of rural residential land from a location perspective. After analyzing the impacting factors like traffic accessibility, comprehensive aggregation size and other factors on the location potential, the location potential model was built to calculate the location potential and corresponding location potential capacity of each rural residential land area. Then consolidation zones and corresponding modes were put forward according to the traits of the location potential and related capacity of each rural
Linearized supergravity from Matrix theory
Kabat, D; Kabat, Daniel; Taylor, Washington
1998-01-01
We show that the linearized supergravity potential between two objects arising from the exchange of quanta with zero longitudinal momentum is reproduced to all orders in 1/r by terms in the one-loop Matrix theory potential. The essential ingredient in the proof is the identification of the Matrix theory quantities corresponding to moments of the stress tensor and membrane current. We also point out that finite-N Matrix theory violates the Equivalence Principle.
DEFF Research Database (Denmark)
Linder, Stefan; Foss, Nicolai Juul
2015-01-01
Agency theory studies the problems and solutions linked to delegation of tasks from principals to agents in the context of conflicting interests between the parties. Beginning from clear assumptions about rationality, contracting, and informational conditions, the theory addresses problems of ex ...... agency theory to enjoy considerable scientific impact on social science; however, it has also attracted considerable criticism.......Agency theory studies the problems and solutions linked to delegation of tasks from principals to agents in the context of conflicting interests between the parties. Beginning from clear assumptions about rationality, contracting, and informational conditions, the theory addresses problems of ex...
DEFF Research Database (Denmark)
Linder, Stefan; Foss, Nicolai Juul
Agency theory studies the problems and solutions linked to delegation of tasks from principals to agents in the context of conflicting interests between the parties. Beginning from clear assumptions about rationality, contracting and informational conditions, the theory addresses problems of ex a...... agency theory to enjoy considerable scientific impact on social science; however, it has also attracted considerable criticism.......Agency theory studies the problems and solutions linked to delegation of tasks from principals to agents in the context of conflicting interests between the parties. Beginning from clear assumptions about rationality, contracting and informational conditions, the theory addresses problems of ex...
Rowen, Louis H
1991-01-01
This is an abridged edition of the author's previous two-volume work, Ring Theory, which concentrates on essential material for a general ring theory course while ommitting much of the material intended for ring theory specialists. It has been praised by reviewers:**""As a textbook for graduate students, Ring Theory joins the best....The experts will find several attractive and pleasant features in Ring Theory. The most noteworthy is the inclusion, usually in supplements and appendices, of many useful constructions which are hard to locate outside of the original sources....The audience of non
Harris, Tina
2015-04-29
Grounded theory is a popular research approach in health care and the social sciences. This article provides a description of grounded theory methodology and its key components, using examples from published studies to demonstrate practical application. It aims to demystify grounded theory for novice nurse researchers, by explaining what it is, when to use it, why they would want to use it and how to use it. It should enable nurse researchers to decide if grounded theory is an appropriate approach for their research, and to determine the quality of any grounded theory research they read.
Semiclassical Theory of Fermions
Florentino Ribeiro, Raphael
2016-01-01
A blend of non-perturbative semiclassical techniques is employed to systematically construct approximations to noninteracting many-fermion systems (coupled to some external potential mimicking the Kohn-Sham potential of density functional theory). In particular, uniform asymptotic approximations are obtained for the particle and kinetic energy density in terms of the external potential acting on the fermions and the Fermi energy. Dominant corrections to the classical limit of quantum mechanic...
Quantal density functional theory
Sahni, Viraht
2016-01-01
This book deals with quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter. The treated time-independent QDFT constitutes a special case. In the 2nd edition, the theory is extended to include the presence of external magnetostatic fields. The theory is a description of matter based on the ‘quantal Newtonian’ first and second laws which is in terms of “classical” fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of electron correlations due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, correlation-current-density, and correlation-magnetic effects. The book further describes Schrödinger theory from the new physical perspective of fields and quantal sources. It also describes traditional Hohenberg-Kohn-Sham DFT, and explains via QDFT the physics underlying the various energy functionals and functional derivatives o...
Directory of Open Access Journals (Sweden)
Suat Irmak
2014-08-01
Full Text Available Evapotranspiration (ET and sensible heat (H flux play a critical role in climate change; micrometeorology; atmospheric investigations; and related studies. They are two of the driving variables in climate impact(s and hydrologic balance dynamics. Therefore, their accurate estimate is important for more robust modeling of the aforementioned relationships. The Bowen ratio energy balance method of estimating ET and H diffusions depends on the assumption that the diffusivities of latent heat (KV and sensible heat (KH are always equal. This assumption is re-visited and analyzed for a subsurface drip-irrigated field in south central Nebraska. The inequality dynamics for subsurface drip-irrigated conditions have not been studied. Potential causes that lead KV to differ from KH and a rectification procedure for the errors introduced by the inequalities were investigated. Actual ET; H; and other surface energy flux parameters using an eddy covariance system and a Bowen Ratio Energy Balance System (located side by side on an hourly basis were measured continuously for two consecutive years for a non-stressed and subsurface drip-irrigated maize canopy. Most of the differences between KV and KH appeared towards the higher values of KV and KH. Although it was observed that KV was predominantly higher than KH; there were considerable data points showing the opposite. In general; daily KV ranges from about 0.1 m2∙s−1 to 1.6 m2∙s−1; and KH ranges from about 0.05 m2∙s−1 to 1.1 m2∙s−1. The higher values for KV and KH appear around March and April; and around September and October. The lower values appear around mid to late December and around late June to early July. Hourly estimates of KV range between approximately 0 m2∙s−1 to 1.8 m2∙s−1 and that of KH ranges approximately between 0 m2∙s−1 to 1.7 m2∙s−1. The inequalities between KV and KH varied diurnally as well as seasonally. The inequalities were greater during the non
Institute of Scientific and Technical Information of China (English)
崔春生
2013-01-01
随着WTO的加入及烟草市场的开放，传统“命令式”的领导方式已不适应于新形势下对员工的管理。本文旨在研究激励理论对烟草商业企业员工工作潜能的开发，帮助提高企业员工的工作激情，为企业创造更多的商业价值。%With the participation of WTO and opening of tobacco markets, traditional"command"style of leadership has not adapted to employee management under the new situation. The paper focuses on the role of incentive theory in development of tobacco business employee potential, help improve the employees ' passion for enterprise employee and create more business value.
Iwano, Kaoru; Shimoi, Yukihiro
2008-02-01
Based on density functional theory, we investigate the electronic structures of an organic molecular solid, (EDO-TTF)2PF6 (EDO-TTF=ethylendioxy-tetrathiafulvalene) , which is known to have a so-called charge-ordered state below a critical temperature. While it has been thought that the origins of the charge ordering are molecular deformations, we find that an electric potential bias within a tetramer of EDO-TTF molecules is close to 1eV , originating from long-range Coulombic interactions with surrounding molecules, and that it is essential in reproducing the actual degree of charge ordering. We also calculate optical conductivity spectra and find a good consistency with experimental results.
Potential theory—selected topics
Aikawwa, Hiroaki
1996-01-01
The first part of these lecture notes is an introduction to potential theory to prepare the reader for later parts, which can be used as the basis for a series of advanced lectures/seminars on potential theory/harmonic analysis. Topics covered in the book include minimal thinness, quasiadditivity of capacity, applications of singular integrals to potential theory, L(p)-capacity theory, fine limits of the Nagel-Stein boundary limit theorem and integrability of superharmonic functions. The notes are written for an audience familiar with the theory of integration, distributions and basic functional analysis.
Energy Technology Data Exchange (ETDEWEB)
Morrison, M.A.
1976-08-01
A theory of electron-molecule scattering based on the fixed-nuclei approximation in a body-fixed reference frame is formulated and applied to e-CO/sub 2/ collisions in the energy range from 0.07 to 10.0 eV. The procedure used is a single-center coupled-channel method which incorporates a highly accurate static interaction potential, an approximate local exchange potential, and an induced polarization potential. Coupled equations are solved by a modification of the integral equations algorithm; several partial waves are required in the region of space near the nuclei, and a transformation procedure is developed to handle the consequent numerical problems. The potential energy is converged by separating electronic and nuclear contributions in a Legendre-polynomial expansion and including a large number of the latter. Formulas are derived for total elastic, differential, momentum transfer, and rotational excitation cross sections. The Born and asymptotic decoupling approximations are derived and discussed in the context of comparison with the coupled-channel cross sections. Both are found to be unsatisfactory in the energy range under consideration. An extensive discussion of the technical aspects of calculations for electron collisions with highly nonspherical targets is presented, including detailed convergence studies and a discussion of various numerical difficulties. The application to e-CO/sub 2/ scattering produces converged results in good agreement with observed cross sections. Various aspects of the physics of this collision are discussed, including the 3.8 eV shape resonance, which is found to possess both p and f character, and the anomalously large low-energy momentum transfer cross sections, which are found to be due to ..sigma../sub g/ symmetry. Comparison with static and static-exchange approximations are made.
Chang, CC
2012-01-01
Model theory deals with a branch of mathematical logic showing connections between a formal language and its interpretations or models. This is the first and most successful textbook in logical model theory. Extensively updated and corrected in 1990 to accommodate developments in model theoretic methods - including classification theory and nonstandard analysis - the third edition added entirely new sections, exercises, and references. Each chapter introduces an individual method and discusses specific applications. Basic methods of constructing models include constants, elementary chains, Sko
Aubin, Jean-Pierre; Saint-Pierre, Patrick
2011-01-01
Viability theory designs and develops mathematical and algorithmic methods for investigating the adaptation to viability constraints of evolutions governed by complex systems under uncertainty that are found in many domains involving living beings, from biological evolution to economics, from environmental sciences to financial markets, from control theory and robotics to cognitive sciences. It involves interdisciplinary investigations spanning fields that have traditionally developed in isolation. The purpose of this book is to present an initiation to applications of viability theory, explai
Roman, Steven
2006-01-01
Intended for graduate courses or for independent study, this book presents the basic theory of fields. The first part begins with a discussion of polynomials over a ring, the division algorithm, irreducibility, field extensions, and embeddings. The second part is devoted to Galois theory. The third part of the book treats the theory of binomials. The book concludes with a chapter on families of binomials - the Kummer theory. This new edition has been completely rewritten in order to improve the pedagogy and to make the text more accessible to graduate students. The exercises have also been im
Hashiguchi, Koichi
2009-01-01
This book details the mathematics and continuum mechanics necessary as a foundation of elastoplasticity theory. It explains physical backgrounds with illustrations and provides descriptions of detailed derivation processes..
Cox, David A
2012-01-01
Praise for the First Edition ". . .will certainly fascinate anyone interested in abstract algebra: a remarkable book!"—Monatshefte fur Mathematik Galois theory is one of the most established topics in mathematics, with historical roots that led to the development of many central concepts in modern algebra, including groups and fields. Covering classic applications of the theory, such as solvability by radicals, geometric constructions, and finite fields, Galois Theory, Second Edition delves into novel topics like Abel’s theory of Abelian equations, casus irreducibili, and the Galo
Dufwenberg, Martin
2011-03-01
Game theory is a toolkit for examining situations where decision makers influence each other. I discuss the nature of game-theoretic analysis, the history of game theory, why game theory is useful for understanding human psychology, and why game theory has played a key role in the recent explosion of interest in the field of behavioral economics. WIREs Cogni Sci 2011 2 167-173 DOI: 10.1002/wcs.119 For further resources related to this article, please visit the WIREs website.
Institute of Scientific and Technical Information of China (English)
吴水芳
2015-01-01
The transformation of the potential students is good for promoting the healthy growth of students, improving the teachers' ability to work and business quality, building a harmonious and stable campus environment, improving the overall quality of the whole people. Based on the theory of multiple intelligence, the paper discusses the transformation strategy of higher vocational potential students from the perspective of the instructor's daily e-ducation, management and service.%做好潜能生的转化工作，有利于促进学生健康地成长成才、有利于提高教师的工作能力和业务素质、有利于构建和谐稳定的校园环境、有利于提高全民的整体素质。文章以多元智能理论为视角，从辅导员日常教育、管理、服务的角度出发，探讨高职潜能生转化对策。
Energy Technology Data Exchange (ETDEWEB)
Benam, M.R., E-mail: m_benam@pnu.ac.ir [Department of Physics, Payame Noor University, P.O. BOX 19395-3697 (Iran, Islamic Republic of); Abdoshahi, N.; Majidiyan Sarmazdeh, M. [Department of Physics, Payame Noor University, P.O. BOX 19395-3697 (Iran, Islamic Republic of)
2014-08-01
In this paper the effect of pressure on the structural and electronic properties of cubic-LaAlO{sub 3} including the equilibrium lattice constant, bulk modulus, derivative of bulk modulus and band structure have been calculated by density functional theory (DFT) using GGA, LDA, and PBEsol exchange correlation potentials. It is found that the change of the lattice constant with pressure has an exponential behavior: with increasing pressure, the lattice constant decreases first sharply at low pressures, and then more slowly at high pressures. Furthermore, the lattice constant calculated by the PBEsol method and the bulk modulus calculated by LDA and PBEsol methods are closer to the available experimental values than those obtained using other exchange correlation potentials. Regarding the electronic properties, it is shown that an increase in pressure increases the band gap, the change being 0.26 eV at 34.00 GPa. The total density of state (t-DOS) calculations demonstrate that increasing pressure has a significant effect on the core and conduction band, but little effect on the valence band. The band structure calculations indicate that, in this material, the band gap changes from indirect to direct at a pressure of about 25 GPa. Also, increasing pressure produces a clear curvature in the band structure near the bottom of the conduction band, a behavior consistent with the strong pressure dependence of the transport properties.
Benam, M. R.; Abdoshahi, N.; Majidiyan Sarmazdeh, M.
2014-08-01
In this paper the effect of pressure on the structural and electronic properties of cubic-LaAlO3 including the equilibrium lattice constant, bulk modulus, derivative of bulk modulus and band structure have been calculated by density functional theory (DFT) using GGA, LDA, and PBEsol exchange correlation potentials. It is found that the change of the lattice constant with pressure has an exponential behavior: with increasing pressure, the lattice constant decreases first sharply at low pressures, and then more slowly at high pressures. Furthermore, the lattice constant calculated by the PBEsol method and the bulk modulus calculated by LDA and PBEsol methods are closer to the available experimental values than those obtained using other exchange correlation potentials. Regarding the electronic properties, it is shown that an increase in pressure increases the band gap, the change being 0.26 eV at 34.00 GPa. The total density of state (t-DOS) calculations demonstrate that increasing pressure has a significant effect on the core and conduction band, but little effect on the valence band. The band structure calculations indicate that, in this material, the band gap changes from indirect to direct at a pressure of about 25 GPa. Also, increasing pressure produces a clear curvature in the band structure near the bottom of the conduction band, a behavior consistent with the strong pressure dependence of the transport properties.
Inflation from Asymptotically Safe Theories
DEFF Research Database (Denmark)
Nielsen, Niklas Grønlund; Sannino, Francesco; Svendsen, Ole
2015-01-01
of the existence of a controllable ultraviolet interacting fixed point. The scalar couplings at the ultraviolet fixed point and their overall running are predicted by the geometric structure of the underlying theory. We analyse the minimal and non-minimal coupling to gravity of these theories and the consequences......We investigate models in which inflation is driven by an ultraviolet safe and interacting scalar sector stemming from a new class of nonsupersymmetric gauge field theories. These new theories, differently from generic scalar models, are well defined to arbitrary short distances because...... for inflation. In the minimal coupling case the theory requires large non-perturbative quantum corrections to the quantum potential for the theory to agree with data, while in the non- minimal coupling case the perturbative regime in the couplings of the theory is preferred. Requiring the theory to reproduce...
Perturbation Theory of Embedded Eigenvalues
DEFF Research Database (Denmark)
Engelmann, Matthias
We study problems connected to perturbation theory of embedded eigenvalues in two different setups. The first part deals with second order perturbation theory of mass shells in massive translation invariant Nelson type models. To this end an expansion of the eigenvalues w.r.t. fiber parameter up...... project gives a general and systematic approach to analytic perturbation theory of embedded eigenvalues. The spectral deformation technique originally developed in the theory of dilation analytic potentials in the context of Schrödinger operators is systematized by the use of Mourre theory. The group...
Manning, Phillip
2011-01-01
The study of quantum theory allowed twentieth-century scientists to examine the world in a new way, one that was filled with uncertainties and probabilities. Further study also led to the development of lasers, the atomic bomb, and the computer. This exciting new book clearly explains quantum theory and its everyday uses in our world.
Directory of Open Access Journals (Sweden)
Ion N.Chiuta
2009-05-01
Full Text Available The paper determines relations for shieldingeffectiveness relative to several variables, includingmetal type, metal properties, thickness, distance,frequency, etc. It starts by presenting some relationshipsregarding magnetic, electric and electromagnetic fieldsas a pertinent background to understanding and applyingfield theory. Since literature about electromagneticcompatibility is replete with discussions about Maxwellequations and field theory only a few aspects arepresented.
Liu, Baoding
2015-01-01
When no samples are available to estimate a probability distribution, we have to invite some domain experts to evaluate the belief degree that each event will happen. Perhaps some people think that the belief degree should be modeled by subjective probability or fuzzy set theory. However, it is usually inappropriate because both of them may lead to counterintuitive results in this case. In order to rationally deal with belief degrees, uncertainty theory was founded in 2007 and subsequently studied by many researchers. Nowadays, uncertainty theory has become a branch of axiomatic mathematics for modeling belief degrees. This is an introductory textbook on uncertainty theory, uncertain programming, uncertain statistics, uncertain risk analysis, uncertain reliability analysis, uncertain set, uncertain logic, uncertain inference, uncertain process, uncertain calculus, and uncertain differential equation. This textbook also shows applications of uncertainty theory to scheduling, logistics, networks, data mining, c...
DEFF Research Database (Denmark)
Bjerg, Ole; Presskorn-Thygesen, Thomas
2017-01-01
The paper is a contribution to current debates about conspiracy theories within philosophy and cultural studies. Wittgenstein’s understanding of language is invoked to analyse the epistemological effects of designating particular questions and explanations as a ‘conspiracy theory......’. It is demonstrated how such a designation relegates these questions and explanations beyond the realm of meaningful discourse. In addition, Agamben’s concept of sovereignty is applied to explore the political effects of using the concept of conspiracy theory. The exceptional epistemological status assigned...... to alleged conspiracy theories within our prevalent paradigms of knowledge and truth is compared to the exceptional legal status assigned to individuals accused of terrorism under the War on Terror. The paper concludes by discussing the relation between conspiracy theory and ‘the paranoid style...
DEFF Research Database (Denmark)
Hjørland, Birger
2009-01-01
Concept theory is an extremely broad, interdisciplinary and complex field of research related to many deep fields with very long historical traditions without much consensus. However, information science and knowledge organization cannot avoid relating to theories of concepts. Knowledge...... organizing systems (e.g. classification systems, thesauri and ontologies) should be understood as systems basically organizing concepts and their semantic relations. The same is the case with information retrieval systems. Different theories of concepts have different implications for how to construe......, evaluate and use such systems. Based on "a post-Kuhnian view" of paradigms this paper put forward arguments that the best understanding and classification of theories of concepts is to view and classify them in accordance with epistemological theories (empiricism, rationalism, historicism and pragmatism...
DEFF Research Database (Denmark)
Bjerg, Ole; Presskorn-Thygesen, Thomas
2017-01-01
The paper is a contribution to current debates about conspiracy theories within philosophy and cultural studies. Wittgenstein’s understanding of language is invoked to analyse the epistemological effects of designating particular questions and explanations as a ‘conspiracy theory......’. It is demonstrated how such a designation relegates these questions and explanations beyond the realm of meaningful discourse. In addition, Agamben’s concept of sovereignty is applied to explore the political effects of using the concept of conspiracy theory. The exceptional epistemological status assigned...... to alleged conspiracy theories within our prevalent paradigms of knowledge and truth is compared to the exceptional legal status assigned to individuals accused of terrorism under the War on Terror. The paper concludes by discussing the relation between conspiracy theory and ‘the paranoid style...
Modesto, Leonardo; Piva, Marco; Rachwał, Lesław
2016-07-01
We explicitly compute the one-loop exact beta function for a nonlocal extension of the standard gauge theory, in particular, Yang-Mills and QED. The theory, made of a weakly nonlocal kinetic term and a local potential of the gauge field, is unitary (ghost-free) and perturbatively super-renormalizable. Moreover, in the action we can always choose the potential (consisting of one "killer operator") to make zero the beta function of the running gauge coupling constant. The outcome is a UV finite theory for any gauge interaction. Our calculations are done in D =4 , but the results can be generalized to even or odd spacetime dimensions. We compute the contribution to the beta function from two different killer operators by using two independent techniques, namely, the Feynman diagrams and the Barvinsky-Vilkovisky traces. By making the theories finite, we are able to solve also the Landau pole problems, in particular, in QED. Without any potential, the beta function of the one-loop super-renormalizable theory shows a universal Landau pole in the running coupling constant in the ultraviolet regime (UV), regardless of the specific higher-derivative structure. However, the dressed propagator shows neither the Landau pole in the UV nor the singularities in the infrared regime (IR).
Directory of Open Access Journals (Sweden)
Luciano Ricardo Rath Alves
2011-01-01
Full Text Available Diversas variáveis estão relacionadas ao desenvolvimento da atividade empreendedora, verifica-se, entre elas, a importância do agente empreendedor. Dos estudos que contribuem para o seu entendimento, este segue a linha que defende que o empreendedor tem características e traços de personalidade singulares em relação à população, os quais são propícios ao sucesso do empreendedorismo. O objetivo deste trabalho é desenvolver uma escala para medir o potencial empreendedor utilizando a Teoria da Resposta ao Item. Foi utilizado o modelo logístico de dois parâmetros da TRI. As estimativas dos parâmetros foram obtidas a partir da amostra com 764 pessoas que responderam a um instrumento composto por 103 itens. A curva de informação e do erro padrão do teste e a interpretação qualitativa de níveis da escala permitiram determinar o intervalo mais apropriado para utilização do instrumento. Os resultados mostraram que a escala é mais adequada para avaliar indivíduos com baixo até moderadamente alto potencial empreendedor. Por isso, sugere-se que novos itens sejam incorporados ao instrumento para mensurar e interpretar níveis ainda mais elevados. A Teoria da Resposta ao Item permite que novos itens sejam calibrados a fim de mensurar os empreendedores com alto potencial empreendedor, aproveitando os dados já obtidos.Several variables are related to the development of entrepreneurial activities. An important one among them is the entrepreneurial agent. This study is one of many that contribute to the understanding of the entrepreneurial agent. In its line of thought, it upholds the idea that the entrepreneur has characteristics and personality traits that stand out from the general population and that are favorable to the success of the entrepreneurship. This study aims at developing a measurement scale for entrepreneurial potential using the Item Response Theory. The items were generated by Santos (2008 based on a theoretical model
Institute of Scientific and Technical Information of China (English)
曲泽星; 高加力
2015-01-01
A multistate density function theory( MSDFT) based on valence bond theory was introduced. As an application, the MSDFT method was illustrated by the bond dissociation of H2 and the proton transfer between HNO3 and a water molecule. In the dissociation of H2 , the MSDFT method yields a correct behavior as the two H atoms stretch to infinity, and gives a potential well in accord with second-order perturbation using complete active space(CASPT2). For the proton transfer process of HNO3, MSDFT can be used to yield both diabatic and adiabatic potential energy curves as a function of the proton transfer reaction coordinate. For the reaction barrier height, the inclusion of an ionic state in a three-state model can significantly improve the accuracy in barrier height in comparison with the high-level results.%介绍一种基于价键理论框架的多组态密度泛函理论(MSDFT)，并以氢气(H2)分子解离过程及硝酸( HNO3)分子在水溶液中的质子转移过程为例，阐述了MSDFT方法的有效性。结果表明，对于H2分子的解离过程， MSDFT方法克服了以往单行列式密度泛函理论( DFT)的弊端，可给出正确的解离曲线，同时由于通过组态相互作用引入了静态电子相关的贡献，其计算精度可接近CASPT2水平；对于HNO3分子在水溶液中的质子转移过程， MSDFT方法可直接构建质子转移的透热势能曲线以及相应的非绝热耦合矩阵元，另一方面通过引入离子组态的贡献，可显著提升其计算精度，使其计算结果与精确结果相吻合。
Bernardo, Jose M
2000-01-01
This highly acclaimed text, now available in paperback, provides a thorough account of key concepts and theoretical results, with particular emphasis on viewing statistical inference as a special case of decision theory. Information-theoretic concepts play a central role in the development of the theory, which provides, in particular, a detailed discussion of the problem of specification of so-called prior ignorance . The work is written from the authors s committed Bayesian perspective, but an overview of non-Bayesian theories is also provided, and each chapter contains a wide-ranging critica
Directory of Open Access Journals (Sweden)
Kathleen Holtz Deal
2007-05-01
Full Text Available Psychodynamic theory, a theory of personality originated by Sigmund Freud, has a long and complex history within social work and continues to be utilized by social workers. This article traces the theory’s development and explains key concepts with an emphasis on its current relational focus within object relations theory and self-psychology. Empirical support for theoretical concepts and the effectiveness of psychodynamic therapies is reviewed and critiqued. Future directions are discussed, including addressing cultural considerations, increasing research, and emphasizing a relational paradigm
Andrews, George E
1994-01-01
Although mathematics majors are usually conversant with number theory by the time they have completed a course in abstract algebra, other undergraduates, especially those in education and the liberal arts, often need a more basic introduction to the topic.In this book the author solves the problem of maintaining the interest of students at both levels by offering a combinatorial approach to elementary number theory. In studying number theory from such a perspective, mathematics majors are spared repetition and provided with new insights, while other students benefit from the consequent simpl
DEFF Research Database (Denmark)
Smith, Shelley
This paper came about within the context of a 13-month research project, Focus Area 1 - Method and Theory, at the Center for Public Space Research at the Royal Academy of the Arts School of Architecture in Copenhagen, Denmark. This project has been funded by RealDania. The goals of the research...... project, Focus Area 1 - Method and Theory, which forms the framework for this working paper, are: * To provide a basis from which to discuss the concept of public space in a contemporary architectural and urban context - specifically relating to theory and method * To broaden the discussion of the concept...
Lubliner, Jacob
2008-01-01
The aim of Plasticity Theory is to provide a comprehensive introduction to the contemporary state of knowledge in basic plasticity theory and to its applications. It treats several areas not commonly found between the covers of a single book: the physics of plasticity, constitutive theory, dynamic plasticity, large-deformation plasticity, and numerical methods, in addition to a representative survey of problems treated by classical methods, such as elastic-plastic problems, plane plastic flow, and limit analysis; the problem discussed come from areas of interest to mechanical, structural, and
利用动态规划和电势理论规划UAV三维航迹%UAV 3D trajectory planning by using dynamic programming and potential theory
Institute of Scientific and Technical Information of China (English)
刘丽峰; 曲国庆; 孔维华
2013-01-01
A modified potential theory is utilized to plan for three-dimensional path for UAV. After fully considering the terrain threat and the threat of the fire and radar appearing at the same time, their weights’inflection on path planning is studied. By limiting distance from the routes to the straight-line including task’s starting and ending points, it is not only to overcome the potential method’s problem of no converging to target, but also to short flight range. It studies the affection of various factors’ different weights of penalty function on the flight routes to select the optimal weight coefficients. It shows that through the simu-lation experiments, the method can successfully design safety flight path for UAV.%用改进的电势理论规划无人机的三维航迹。充分考虑了地形威胁、火力及雷达威胁同时存在的情况，并对它们的权重对航迹规划的影响进行了研究。通过限制航线到包含任务起止点直线的距离，不但克服了电势法无法收敛目标点的问题，而且可以缩短飞行航程；研究惩罚函数中各因素不同权重对飞行航线的影响，选择出最优权重系数；通过仿真试验可知，该方法能够成功地为无人机规划出安全的飞行路径。
Sandeep; D, P. Rai; A, Shankar; M, P. Ghimire; Anup Pradhan, Sakhya; T, P. Sinha; R, Khenata; S, Bin Omran; R, K. Thapa
2016-06-01
The structural, electronic, and magnetic properties of the Nd-doped Rare earth aluminate, La1-x Nd x AlO3 (x = 0% to 100%) alloys are studied using the full potential linearized augmented plane wave (FP-LAPW) method within the density functional theory. The effects of the Nd substitution in LaAlO3 are studied using the supercell calculations. The computed electronic structure with the modified Becke-Johnson (mBJ) potential based approximation indicates that the La1-x Nd x AlO3 alloys may possess half-metallic (HM) behaviors when doped with Nd of a finite density of states at the Fermi level (E F). The direct and indirect band gaps are studied each as a function of x which is the concentration of Nd-doped LaAlO3. The calculated magnetic moments in the La1-x Nd x AlO3 alloys are found to arise mainly from the Nd-4f state. A probable half-metallic nature is suggested for each of these systems with supportive integral magnetic moments and highly spin-polarized electronic structures in these doped systems at E F. The observed decrease of the band gap with the increase in the concentration of Nd doping in LaAlO3 is a suitable technique for harnessing useful spintronic and magnetic devices. Project supported by the DST-SERB, Dy (Grant No. SERB/3586/2013-14), the UGCBSR, FRPS (Grant No. F.30-52/2014), the UGC (New Delhi, India) Inspire Fellowship DST (India), and the Deanship of Scientific Research at King Saud University (Grant No. RPG-VPP-088). M P Ghimire thanks the Alexander von Humboldt Foundation, Germany for the financial support.
On the validity range of piston theory
CSIR Research Space (South Africa)
Meijer, M-C
2015-06-01
Full Text Available International Forum on Aeroelasticity and Structural Dynamics On the validity range of Piston Theory Marius-Corne Meijer, Laurent Dala Keywords: potential flow, local piston theory, perturbation, linearization, quasi-steady. Abstract: The basis...
Matching theory for wireless networks
Han, Zhu; Saad, Walid
2017-01-01
This book provides the fundamental knowledge of the classical matching theory problems. It builds up the bridge between the matching theory and the 5G wireless communication resource allocation problems. The potentials and challenges of implementing the semi-distributive matching theory framework into the wireless resource allocations are analyzed both theoretically and through implementation examples. Academics, researchers, engineers, and so on, who are interested in efficient distributive wireless resource allocation solutions, will find this book to be an exceptional resource. .
Institute of Scientific and Technical Information of China (English)
蒋银; 张亮
2013-01-01
Based on 3D potential theory, involved impact from tidal turbine to floating barge, the sea-keeping performance of a floating tidal turbine was calculated and analyzed by Hydrostar, a general analysis program for calculation of wave-structure interaction. Besides, the short-term prediction of the sea keeping of the ship was done related to the extreme sea state in the work site. The calculation results show that the rolling motion of the floating barge is relatively violent in beam sea and shipping of green water tends to occur in bow sea.%基于三维势流理论，考虑水轮机对载体的影响，运用 Hydrostar 计算评估某浮式潮流电站载体的耐波性。并结合潮流电站工作当地极限海况，对该载体的耐波性进行短期预报。计算结果表明，该潮流电站浮式载体横浪状态下横摇响应大；在迎浪状态下，潮流电站浮式载体最容易甲板上浪。
Energy Technology Data Exchange (ETDEWEB)
Je, U.K.; Lee, M.S.; Cho, H.S., E-mail: hscho1@yonsei.ac.kr; Hong, D.K.; Park, Y.O.; Park, C.K.; Cho, H.M.; Choi, S.I.; Woo, T.H.
2015-06-01
In practical applications of three-dimensional (3D) tomographic imaging, there are often challenges for image reconstruction from insufficient sampling data. In computed tomography (CT), for example, image reconstruction from sparse views and/or limited-angle (<360°) views would enable fast scanning with reduced imaging doses to the patient. In this study, we investigated and implemented a reconstruction algorithm based on the compressed-sensing (CS) theory, which exploits the sparseness of the gradient image with substantially high accuracy, for potential applications to low-dose, high-accurate dental cone-beam CT (CBCT). We performed systematic simulation works to investigate the image characteristics and also performed experimental works by applying the algorithm to a commercially-available dental CBCT system to demonstrate its effectiveness for image reconstruction in insufficient sampling problems. We successfully reconstructed CBCT images of superior accuracy from insufficient sampling data and evaluated the reconstruction quality quantitatively. Both simulation and experimental demonstrations of the CS-based reconstruction from insufficient data indicate that the CS-based algorithm can be applied directly to current dental CBCT systems for reducing the imaging doses and further improving the image quality.
Nel, Louis
2016-01-01
This book presents a detailed, self-contained theory of continuous mappings. It is mainly addressed to students who have already studied these mappings in the setting of metric spaces, as well as multidimensional differential calculus. The needed background facts about sets, metric spaces and linear algebra are developed in detail, so as to provide a seamless transition between students' previous studies and new material. In view of its many novel features, this book will be of interest also to mature readers who have studied continuous mappings from the subject's classical texts and wish to become acquainted with a new approach. The theory of continuous mappings serves as infrastructure for more specialized mathematical theories like differential equations, integral equations, operator theory, dynamical systems, global analysis, topological groups, topological rings and many more. In light of the centrality of the topic, a book of this kind fits a variety of applications, especially those that contribute to ...
Hodges, Wilfrid
1993-01-01
An up-to-date and integrated introduction to model theory, designed to be used for graduate courses (for students who are familiar with first-order logic), and as a reference for more experienced logicians and mathematicians.
Koschmann, Timothy; Roschelle, Jeremy; Nardi, Bonnie A.
1998-01-01
Includes three articles that discuss activity theory, based on "Context and Consciousness." Topics include human-computer interaction; computer interfaces; hierarchical structuring; mediation; contradictions and development; failure analysis; and designing educational technology. (LRW)
Gould, Ronald
2012-01-01
This introduction to graph theory focuses on well-established topics, covering primary techniques and including both algorithmic and theoretical problems. The algorithms are presented with a minimum of advanced data structures and programming details. This thoroughly corrected 1988 edition provides insights to computer scientists as well as advanced undergraduates and graduate students of topology, algebra, and matrix theory. Fundamental concepts and notation and elementary properties and operations are the first subjects, followed by examinations of paths and searching, trees, and networks. S
1988-06-30
MATRICES . The monograph Nonnegative Matrices [6] is an advanced book on all aspect of the theory of nonnegative matrices and...and on inverse eigenvalue problems for nonnegative matrices . The work explores some of the most recent developments in the theory of nonnegative...k -1, t0 . Define the associated polynomial of type <z>: t t-t 2 t-t 3 t-tk_ 1,X - x - x . . .X- where t = tk . The
Random Matrix theory approach to Quantum mechanics
Chaitanya, K. V. S. Shiv
2015-01-01
In this paper, we give random matrix theory approach to the quantum mechanics using the quantum Hamilton-Jacobi formalism. We show that the bound state problems in quantum mechanics are analogous to solving Gaussian unitary ensemble of random matrix theory. This study helps in identify the potential appear in the joint probability distribution function in the random matrix theory as a super potential. This approach allows to extend the random matrix theory to the newly discovered exceptional ...
Asymmetry Reduction Theory of FDI
DEFF Research Database (Denmark)
Li, Xin
In this paper, I first briefly introduce Moon & Roehl’s (1993, 2001) imbalance theory of FDI, then I identify its three deficiencies that may be responsible for the relative lack of impact of the potentially powerful imbalance logic, and then I propose an asymmetry reduction theory (ARC) of FDI...
Functional theories of thermoelectric phenomena
Eich, F. G.; Di Ventra, M.; Vignale, G.
2017-02-01
We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by introducing the formal structure of thermal density functional theory, a density functional theory with two basic variables—the density and the energy density—and two conjugate fields—the ordinary scalar potential and Luttinger’s thermomechanical potential. The static version of this theory is contrasted with the familiar finite-temperature density functional theory, in which only the density is a variable. We then proceed to constructing the full time-dependent non equilibrium theory, including the practically important Kohn-Sham equations that go with it. The theory is shown to recover standard results of the Landauer theory for thermal transport in the steady state, while showing greater flexibility by allowing a description of fast thermal response, temperature oscillations and related phenomena. Several results are presented here for the first time, i.e. the proof of invertibility of the thermal response function in the linear regime, the full expression of the thermal currents in the presence of Luttinger’s thermomechanical potential, an explicit prescription for the evaluation of the Kohn-Sham potentials in the adiabatic local density approximation, a detailed discussion of the leading dissipative corrections to the adiabatic local density approximation and the thermal corrections to the resistivity that follow from it.
Hoffman, Johan; Jansson, Johan; Johnson, Claes
2016-06-01
We present a new mathematical theory explaining the fluid mechanics of subsonic flight, which is fundamentally different from the existing boundary layer-circulation theory by Prandtl-Kutta-Zhukovsky formed 100 year ago. The new theory is based on our new resolution of d'Alembert's paradox showing that slightly viscous bluff body flow can be viewed as zero-drag/lift potential flow modified by 3d rotational slip separation arising from a specific separation instability of potential flow, into turbulent flow with nonzero drag/lift. For a wing this separation mechanism maintains the large lift of potential flow generated at the leading edge at the price of small drag, resulting in a lift to drag quotient of size 15-20 for a small propeller plane at cruising speed with Reynolds number {Re≈ 107} and a jumbojet at take-off and landing with {Re≈ 108} , which allows flight at affordable power. The new mathematical theory is supported by computed turbulent solutions of the Navier-Stokes equations with a slip boundary condition as a model of observed small skin friction of a turbulent boundary layer always arising for {Re > 106} , in close accordance with experimental observations over the entire range of angle of attacks including stall using a few millions of mesh points for a full wing-body configuration.
Putting a Realistic Theory of Mind into Agency Theory
DEFF Research Database (Denmark)
Foss, Nicolai Juul; Stea, Diego
2014-01-01
concerning other such content. More realistically, individuals have some limited access to the minds of others. We explore the implications for classical agency theory of realistic assumptions regarding the human potential for interpersonal sensemaking. We discuss implications for the design and management......Agency theory is one of the most important foundational theories in management research, but it rests on contestable cognitive assumptions. Specifically, the principal is assumed to hold a perfect (correct) theory regarding some of the content of the agent's mind, while he is entirely ignorant...... of rewards, and trace implications for value creation in principal-agent relations....
Magnetism and rotation in relativistic field theory
Mameda, Kazuya; Yamamoto, Arata
2016-09-01
We investigate the analogy between magnetism and rotation in relativistic theory. In nonrelativistic theory, the exact correspondence between magnetism and rotation is established in the presence of an external trapping potential. Based on this, we analyze relativistic rotation under external trapping potentials. A Landau-like quantization is obtained by considering an energy-dependent potential.
Ortiz, Luis E.
2015-01-01
Potential games, originally introduced in the early 1990's by Lloyd Shapley, the 2012 Nobel Laureate in Economics, and his colleague Dov Monderer, are a very important class of models in game theory. They have special properties such as the existence of Nash equilibria in pure strategies. This note introduces graphical versions of potential games. Special cases of graphical potential games have already found applicability in many areas of science and engineering beyond economics, including ar...
Possibility Theory versus Probability Theory in Fuzzy Measure Theory
Directory of Open Access Journals (Sweden)
Parul Agarwal
2015-05-01
Full Text Available The purpose of this paper is to compare probability theory with possibility theory, and to use this comparison in comparing probability theory with fuzzy set theory. The best way of comparing probabilistic and possibilistic conceptualizations of uncertainty is to examine the two theories from a broader perspective. Such a perspective is offered by evidence theory, within which probability theory and possibility theory are recognized as special branches. While the various characteristic of possibility theory within the broader framework of evidence theory are expounded in this paper, we need to introduce their probabilistic counterparts to facilitate our discussion.
Conversation at the Border Between Organizational Culture Theory and Institutional Theory
DEFF Research Database (Denmark)
Hatch, Mary Jo; Zilber, Tammar
2012-01-01
This paper reflects our conversation at the border - a dividing line but also a potential meeting place - of organizational culture theory and institutional theory. First, we discuss the border between institutional theory and organizational culture theory by exploring two notions central to both...
DEFF Research Database (Denmark)
Carroll, Joseph; Clasen, Mathias; Jonsson, Emelie
2017-01-01
Biocultural theory is an integrative research program designed to investigate the causal interactions between biological adaptations and cultural constructions. From the biocultural perspective, cultural processes are rooted in the biological necessities of the human life cycle: specifically human...... and ideological beliefs, and artistic practices such as music, dance, painting, and storytelling. Establishing biocultural theory as a program that self-consciously encompasses the different particular forms of human evolutionary research could help scholars and scientists envision their own specialized areas...... of research as contributions to a coherent, collective research program. This article argues that a mature biocultural paradigm needs to be informed by at least 7 major research clusters: (a) gene-culture coevolution; (b) human life history theory; (c) evolutionary social psychology; (d) anthropological...
Optical coding theory with Prime
Kwong, Wing C
2013-01-01
Although several books cover the coding theory of wireless communications and the hardware technologies and coding techniques of optical CDMA, no book has been specifically dedicated to optical coding theory-until now. Written by renowned authorities in the field, Optical Coding Theory with Prime gathers together in one volume the fundamentals and developments of optical coding theory, with a focus on families of prime codes, supplemented with several families of non-prime codes. The book also explores potential applications to coding-based optical systems and networks. Learn How to Construct
DEFF Research Database (Denmark)
Fromager, Emmanuel; Cimiraglia, Renzo; Jensen, Hans Jørgen Aagaard
2010-01-01
A rigorous combination of multireference perturbation theory and density functional theory (DFT) is proposed. Based on a range separation of the regular two-electron Coulomb interaction, it combines a short-range density functional with second-order strongly contracted n-electron valence state pe...
Donnellan, Thomas; Maxwell, E A; Plumpton, C
1968-01-01
Lattice Theory presents an elementary account of a significant branch of contemporary mathematics concerning lattice theory. This book discusses the unusual features, which include the presentation and exploitation of partitions of a finite set. Organized into six chapters, this book begins with an overview of the concept of several topics, including sets in general, the relations and operations, the relation of equivalence, and the relation of congruence. This text then defines the relation of partial order and then partially ordered sets, including chains. Other chapters examine the properti
S Varadhan, S R
2001-01-01
This volume presents topics in probability theory covered during a first-year graduate course given at the Courant Institute of Mathematical Sciences. The necessary background material in measure theory is developed, including the standard topics, such as extension theorem, construction of measures, integration, product spaces, Radon-Nikodym theorem, and conditional expectation. In the first part of the book, characteristic functions are introduced, followed by the study of weak convergence of probability distributions. Then both the weak and strong limit theorems for sums of independent rando
Stewart, Ian
2003-01-01
Ian Stewart's Galois Theory has been in print for 30 years. Resoundingly popular, it still serves its purpose exceedingly well. Yet mathematics education has changed considerably since 1973, when theory took precedence over examples, and the time has come to bring this presentation in line with more modern approaches.To this end, the story now begins with polynomials over the complex numbers, and the central quest is to understand when such polynomials have solutions that can be expressed by radicals. Reorganization of the material places the concrete before the abstract, thus motivating the g
Stijnen, Mandy M N; Jansen, Maria W J; Duimel-Peeters, Inge G P; Vrijhoef, Hubertus J M
2014-10-25
Population ageing fosters new models of care delivery for older people that are increasingly integrated into existing care systems. In the Netherlands, a primary-care based preventive home visitation programme has been developed for potentially frail community-dwelling older people (aged ≥75 years), consisting of a comprehensive geriatric assessment during a home visit by a practice nurse followed by targeted interdisciplinary care and follow-up over time. A theory-based process evaluation was designed to examine (1) the extent to which the home visitation programme was implemented as planned and (2) the extent to which general practices successfully redesigned their care delivery. Using a mixed-methods approach, the focus was on fidelity (quality of implementation), dose delivered (completeness), dose received (exposure and satisfaction), reach (participation rate), recruitment, and context. Twenty-four general practices participated, of which 13 implemented the home visitation programme and 11 delivered usual care to older people. Data collection consisted of semi-structured interviews with practice nurses (PNs), general practitioners (GPs), and older people; feedback meetings with PNs; structured registration forms filled-out by PNs; and narrative descriptions of the recruitment procedures and registration of inclusion and drop-outs by members of the research team. Fidelity of implementation was acceptable, but time constraints and inadequate reach (i.e., the relatively healthy older people participated) negatively influenced complete delivery of protocol elements, such as interdisciplinary cooperation and follow-up of older people over time. The home visitation programme was judged positively by PNs, GPs, and older people. Useful tools were offered to general practices for organising proactive geriatric care. The home visitation programme did not have major shortcomings in itself, but the delivery offered room for improvement. General practices received
Effective theories of universal theories
Wells, James D
2015-01-01
It is well-known but sometimes overlooked that constraints on the oblique parameters (most notably $S$ and $T$ parameters) are only applicable to a special class of new physics scenarios known as universal theories. In the effective field theory (EFT) framework, the oblique parameters should not be associated with Wilson coefficients in a particular operator basis, unless restrictions have been imposed on the EFT so that it describes universal theories. We work out these restrictions, and present a detailed EFT analysis of universal theories. We find that at the dimension-6 level, universal theories are completely characterized by 16 parameters. They are conveniently chosen to be: 5 oblique parameters that agree with the commonly-adopted ones, 4 anomalous triple-gauge couplings, 3 rescaling factors for the $h^3$, $hff$, $hVV$ vertices, 3 parameters for $hVV$ vertices absent in the Standard Model, and 1 four-fermion coupling of order $y_f^2$. All these parameters are defined in an unambiguous and basis-indepen...
Spherical membranes in Matrix theory
Kabat, D; Kabat, Daniel; Taylor, Washington
1998-01-01
We consider membranes of spherical topology in uncompactified Matrix theory. In general for large membranes Matrix theory reproduces the classical membrane dynamics up to 1/N corrections; for certain simple membrane configurations, the equations of motion agree exactly at finite N. We derive a general formula for the one-loop Matrix potential between two finite-sized objects at large separations. Applied to a graviton interacting with a round spherical membrane, we show that the Matrix potential agrees with the naive supergravity potential for large N, but differs at subleading orders in N. The result is quite general: we prove a pair of theorems showing that for large N, after removing the effects of gravitational radiation, the one-loop potential between classical Matrix configurations agrees with the long-distance potential expected from supergravity. As a spherical membrane shrinks, it eventually becomes a black hole. This provides a natural framework to study Schwarzschild black holes in Matrix theory.
Lenz, Alexander
2016-01-01
We set the scene for theoretical issues in charm physics that were discussed at CHARM 2016 in Bologna. In particular we emphasize the importance of improving our understanding of standard model contributions to numerous charm observables and we discuss also possible tests of our theory tools, like the Heavy Quark Expansion via the lifetime ratios of $D$-mesons
Energy Technology Data Exchange (ETDEWEB)
Friedrich, Harald [Technische Univ. Muenchen, Garching (Germany). Physik-Department
2013-08-01
Written by the author of the widely acclaimed textbook. Theoretical Atomic Physics Includes sections on quantum reflection, tunable Feshbach resonances and Efimov states. Useful for advanced students and researchers. This book presents a concise and modern coverage of scattering theory. It is motivated by the fact that experimental advances have shifted and broadened the scope of applications where concepts from scattering theory are used, e.g. to the field of ultracold atoms and molecules, which has been experiencing enormous growth in recent years, largely triggered by the successful realization of Bose-Einstein condensates of dilute atomic gases in 1995. In the present treatment, special attention is given to the role played by the long-range behaviour of the projectile-target interaction, and a theory is developed, which is well suited to describe near-threshold bound and continuum states in realistic binary systems such as diatomic molecules or molecular ions. The level of abstraction is kept as low as at all possible, and deeper questions related to mathematical foundations of scattering theory are passed by. The book should be understandable for anyone with a basic knowledge of nonrelativistic quantum mechanics. It is intended for advanced students and researchers, and it is hoped that it will be useful for theorists and experimentalists alike.
Plummer, MD
1986-01-01
This study of matching theory deals with bipartite matching, network flows, and presents fundamental results for the non-bipartite case. It goes on to study elementary bipartite graphs and elementary graphs in general. Further discussed are 2-matchings, general matching problems as linear programs, the Edmonds Matching Algorithm (and other algorithmic approaches), f-factors and vertex packing.
R. Veenhoven (Ruut)
2014-01-01
markdownabstract__Abstract__ Assumptions Livability theory involves the following six key assumptions: 1. Like all animals, humans have innate needs, such as for food, safety, and companionship. 2. Gratification of needs manifests in hedonic experience. 3. Hedonic experience determines how much we
DEFF Research Database (Denmark)
Monthoux, Pierre Guillet de; Statler, Matt
2014-01-01
The recent Carnegie report (Colby, et al., 2011) characterizes the goal of business education as the development of practical wisdom. In this chapter, the authors reframe Scharmer’s Theory U as an attempt to develop practical wisdom by applying certain European philosophical concepts. Specificall...
DEFF Research Database (Denmark)
Guillet de Monthoux, Pierre; Statler, Matt
2017-01-01
The recent Carnegie report (Colby, et al., 2011) characterizes the goal of business education as the development of practical wisdom. In this chapter, the authors reframe Scharmer's Theory U as an attempt to develop practical wisdom by applying certain European philosophical concepts. Specificall...
de Vreese, C.H.; Lecheler, S.; Mazzoleni, G.; Barnhurst, K.G.; Ikeda, K.; Maia, R.C.M.; Wessler, H.
2016-01-01
Political issues can be viewed from different perspectives and they can be defined differently in the news media by emphasizing some aspects and leaving others aside. This is at the core of news framing theory. Framing originates within sociology and psychology and has become one of the most used th
Hall, Marshall
2011-01-01
Includes proof of van der Waerden's 1926 conjecture on permanents, Wilson's theorem on asymptotic existence, and other developments in combinatorics since 1967. Also covers coding theory and its important connection with designs, problems of enumeration, and partition. Presents fundamentals in addition to latest advances, with illustrative problems at the end of each chapter. Enlarged appendixes include a longer list of block designs.
DEFF Research Database (Denmark)
Bertelsen, Olav Wedege; Bødker, Susanne
2003-01-01
the young HCI research tradition. But HCI was already facing problems: lack of consideration for other aspects of human behavior, for interaction with other people, for culture. Cognitive science-based theories lacked means to address several issues that came out of the empirical projects....
DEFF Research Database (Denmark)
Monthoux, Pierre Guillet de; Statler, Matt
2014-01-01
The recent Carnegie report (Colby, et al., 2011) characterizes the goal of business education as the development of practical wisdom. In this chapter, the authors reframe Scharmer’s Theory U as an attempt to develop practical wisdom by applying certain European philosophical concepts. Specifically...
DEFF Research Database (Denmark)
Dindler, Christian; Dalsgaard, Peter
2014-01-01
We present the notion of ‘bridging concepts’ as a particular form of intermediary knowledge in HCI research, residing between theory and practice. We argue that bridging concepts address the challenge of facilitating exchange between theory and practice in HCI, and we compare it to other intermed....... These constituents specify how bridging concepts, as a form of knowledge, are accountable to both theory and practice. We present an analysis of the concept of ‘peepholes’ as an example of a bridging concept aimed at spurring user curiosity and engagement.......We present the notion of ‘bridging concepts’ as a particular form of intermediary knowledge in HCI research, residing between theory and practice. We argue that bridging concepts address the challenge of facilitating exchange between theory and practice in HCI, and we compare it to other...... intermediary forms of knowledge such as strong concepts and conceptual constructs. We propose that bridging concepts have three defining constituents: a theoretical foundation, a set of design articulations and a range of exemplars that demonstrate the scope and potential of their application...
Degenerate Density Perturbation Theory
Palenik, Mark C
2016-01-01
Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the corresponding perturbation theory and apply it to a system of $N_d$ degenerate electrons in a harmonic oscillator potential. The order-by-order expansions of both the fractional occupation numbers and unitary transformations within the degenerate subspace are determined by the requirement that a differentiable map exists connecting the initial and perturbed states. Using the X$\\alpha$ exchange-correlation (XC) functional, we find an analytic solution for the first-order density and first through third-order energies as a function of $\\alpha$, with and without a self-interaction correction. The fact that the XC Hessian is not positive definite plays an important role in the behavior of the occupation numbers.
Degenerate density perturbation theory
Palenik, Mark C.; Dunlap, Brett I.
2016-09-01
Fractional occupation numbers can be used in density functional theory to create a symmetric Kohn-Sham potential, resulting in orbitals with degenerate eigenvalues. We develop the corresponding perturbation theory and apply it to a system of Nd degenerate electrons in a harmonic oscillator potential. The order-by-order expansions of both the fractional occupation numbers and unitary transformations within the degenerate subspace are determined by the requirement that a differentiable map exists connecting the initial and perturbed states. Using the X α exchange-correlation (XC) functional, we find an analytic solution for the first-order density and first- through third-order energies as a function of α , with and without a self-interaction correction. The fact that the XC Hessian is not positive definite plays an important role in the behavior of the occupation numbers.
Noncommutative Dipole Field Theories And Unitarity
Chiou, D W; Chiou, Dah-Wei; Ganor, Ori J.
2004-01-01
We extend the argument of Gomis and Mehen for violation of unitarity in field theories with space-time noncommutativity to dipole field theories. In dipole field theories with a timelike dipole vector, we present 1-loop amplitudes that violate the optical theorem. A quantum mechanical system with nonlocal potential of finite extent in time also shows violation of unitarity.
DEFF Research Database (Denmark)
Stein, Irene F.; Stelter, Reinhard
2011-01-01
Communication theory covers a wide variety of theories related to the communication process (Littlejohn, 1999). Communication is not simply an exchange of information, in which we have a sender and a receiver. This very technical concept of communication is clearly outdated; a human being...... is not a data processing device. In this chapter, communication is understood as a process of shared meaning-making (Bruner, 1990). Human beings interpret their environment, other people, and themselves on the basis of their dynamic interaction with the surrounding world. Meaning is essential because people...... ascribe specific meanings to their experiences, their actions in life or work, and their interactions. Meaning is reshaped, adapted, and transformed in every communication encounter. Furthermore, meaning is cocreated in dialogues or in communities of practice, such as in teams at a workplace or in school...
Hashiguchi, Koichi
2014-01-01
This book was written to serve as the standard textbook of elastoplasticity for students, engineers and researchers in the field of applied mechanics. The present second edition is improved thoroughly from the first edition by selecting the standard theories from various formulations and models, which are required to study the essentials of elastoplasticity steadily and effectively and will remain universally in the history of elastoplasticity. It opens with an explanation of vector-tensor analysis and continuum mechanics as a foundation to study elastoplasticity theory, extending over various strain and stress tensors and their rates. Subsequently, constitutive equations of elastoplastic and viscoplastic deformations for monotonic, cyclic and non-proportional loading behavior in a general rate and their applications to metals and soils are described in detail, and constitutive equations of friction behavior between solids and its application to the prediction of stick-slip phenomena are delineated. In additi...
2015-01-01
A one-sentence definition of operator theory could be: The study of (linear) continuous operations between topological vector spaces, these being in general (but not exclusively) Fréchet, Banach, or Hilbert spaces (or their duals). Operator theory is thus a very wide field, with numerous facets, both applied and theoretical. There are deep connections with complex analysis, functional analysis, mathematical physics, and electrical engineering, to name a few. Fascinating new applications and directions regularly appear, such as operator spaces, free probability, and applications to Clifford analysis. In our choice of the sections, we tried to reflect this diversity. This is a dynamic ongoing project, and more sections are planned, to complete the picture. We hope you enjoy the reading, and profit from this endeavor.
Diestel, Reinhard
2017-01-01
This standard textbook of modern graph theory, now in its fifth edition, combines the authority of a classic with the engaging freshness of style that is the hallmark of active mathematics. It covers the core material of the subject with concise yet reliably complete proofs, while offering glimpses of more advanced methods in each field by one or two deeper results, again with proofs given in full detail. The book can be used as a reliable text for an introductory course, as a graduate text, and for self-study. From the reviews: “This outstanding book cannot be substituted with any other book on the present textbook market. It has every chance of becoming the standard textbook for graph theory.”Acta Scientiarum Mathematiciarum “Deep, clear, wonderful. This is a serious book about the heart of graph theory. It has depth and integrity. ”Persi Diaconis & Ron Graham, SIAM Review “The book has received a very enthusiastic reception, which it amply deserves. A masterly elucidation of modern graph theo...
Friedrich, Harald
2016-01-01
This corrected and updated second edition of "Scattering Theory" presents a concise and modern coverage of the subject. In the present treatment, special attention is given to the role played by the long-range behaviour of the projectile-target interaction, and a theory is developed, which is well suited to describe near-threshold bound and continuum states in realistic binary systems such as diatomic molecules or molecular ions. It is motivated by the fact that experimental advances have shifted and broadened the scope of applications where concepts from scattering theory are used, e.g. to the field of ultracold atoms and molecules, which has been experiencing enormous growth in recent years, largely triggered by the successful realization of Bose-Einstein condensates of dilute atomic gases in 1995. The book contains sections on special topics such as near-threshold quantization, quantum reflection, Feshbach resonances and the quantum description of scattering in two dimensions. The level of abstraction is k...
Instanton Effects in Orbifold ABJM Theory
Honda, Masazumi
2014-01-01
We study the partition function of the orbifold ABJM theory, which is the N=4 necklace quiver Chern-Simons-matter theory with alternating levels, in the Fermi gas formalism. We find that the grand potential of the orbifold ABJM theory is expressed explicitly in terms of that of the ABJM theory. As shown previously, the ABJM grand potential consists of the naive but primary non-oscillatory term and the subsidiary infinitely-replicated oscillatory terms. We find that the subsidiary oscillatory terms of the ABJM theory actually give a non-oscillatory primary term of the orbifold ABJM theory. Also, interestingly, the perturbative part in the ABJM theory results in a novel instanton contribution in the orbifold theory. We also present a physical interpretation for the non-perturbative instanton effects.
Energy Technology Data Exchange (ETDEWEB)
Metzger, St
2005-12-15
This thesis presents various ways to construct four-dimensional quantum field theories from string theory. In a first part we study the generation of a supersymmetric Yang-Mills theory, coupled to an adjoint chiral superfield, from type IIB string theory on non-compact Calabi-Yau manifolds, with D-branes wrapping certain sub-cycles. Properties of the gauge theory are then mapped to the geometric structure of the Calabi-Yau space. Even if the Calabi-Yau geometry is too complicated to evaluate the geometric integrals explicitly, one can then always use matrix model perturbation theory to calculate the effective superpotential. The second part of this work covers the generation of four-dimensional super-symmetric gauge theories, carrying several important characteristic features of the standard model, from compactifications of eleven-dimensional supergravity on G{sub 2}-manifolds. If the latter contain conical singularities, chiral fermions are present in the four-dimensional gauge theory, which potentially lead to anomalies. We show that, locally at each singularity, these anomalies are cancelled by the non-invariance of the classical action through a mechanism called 'anomaly inflow'. Unfortunately, no explicit metric of a compact G{sub 2}-manifold is known. Here we construct families of metrics on compact weak G{sub 2}-manifolds, which contain two conical singularities. Weak G{sub 2}-manifolds have properties that are similar to the ones of proper G{sub 2}-manifolds, and hence the explicit examples might be useful to better understand the generic situation. Finally, we reconsider the relation between eleven-dimensional supergravity and the E{sub 8} x E{sub 8}-heterotic string. This is done by carefully studying the anomalies that appear if the supergravity theory is formulated on a ten-manifold times the interval. Again we find that the anomalies cancel locally at the boundaries of the interval through anomaly inflow, provided one suitably modifies the
Kwak, Seung Ki
The existence of momentum and winding modes of closed string on a torus leads to a natural idea that the field theoretical approach of string theory should involve winding type coordinates as well as the usual space-time coordinates. Recently developed double field theory is motivated from this idea and it implements T-duality manifestly by doubling the coordinates. In this thesis we will mainly focus on the double field theory formulation of different string theories in its low energy limit: bosonic, heterotic, type II and its massive extensions, and N = 1 supergravity theory. In chapter 2 of the thesis we study the equivalence of different formulations of double field theory. There are three different formulations of double field theory: background field E formulation, generalized metric H formulation, and frame field EAM formulation. Starting from the frame field formalism and choosing an appropriate gauge, the equivalence of the three formulations of bosonic theory are explicitly verified. In chapter 3 we construct the double field theory formulation of heterotic strings. The global symmetry enlarges to O( D, D + n) for heterotic strings and the enlarged generalized metric features this symmetry. The structural form of bosonic theory can directly be applied to the heterotic theory with the enlarged generalized metric. In chapter 4 we develop a unified framework of double field theory for type II theories. The Ramond-Ramond potentials fit into spinor representations of the duality group O( D, D) and the theory displays Spin+( D, D) symmetry with its self-duality relation. For a specific form of RR 1-form the theory reduces to the massive deformation of type IIA theory due to Romans. In chapter 5 we formulate the N = 1 supersymmetric extension of double field theory including the coupling to n abelian vector multiplets. This theory features a local O(1, 9 + n) x O(1, 9) tangent space symmetry under which the fermions transform. (Copies available exclusively from
Institute of Scientific and Technical Information of China (English)
张协奎; 邬思怡
2015-01-01
科技进步作为经济增长的内在动力，推动社会生产力不断向前，实现经济社会的繁荣与发展。通过总结国内外有关科技进步贡献率测算的分析方法，在柯布－道格拉斯生产函数的基础上引入势分析理论，建立势生产函数模型来测算广西科技进步贡献率。选取1991—2013年的广西数据对14个滚动经济周期的科技进步贡献率进行测算，实证分析结果表明：广西自1991年以来，全要素生产率均大于1，说明投入要素的利用程度高于平均水平；同时科技进步贡献率水平低，说明广西创新驱动的效能还有待提升，需要在保证资本产出效率不断提高的基础上切实提高劳动生产率，保证广西科技进步对经济增长的贡献率不断提高。%Sci -tech progress as the internal driving force of economic growth,promotes the social productive forces to a-chieve economic and social prosperity and development.This article summarizes the calculation of the contribution rate of sci -tech progress in the domestic and foreign quantitative analysis method,introduces the concept of the potential theory on the basis of the Cobb -Douglas production function,establishes the potential production function model to measure the progress of sci -tech rate in Guangxi,and selects the data of Guangxi between 1991 and 2010 to calculate the contribution rate of sci -tech progress for 11 of the scroll of the economic cycle.The empirical analysis results indicate that,since 1991,the entire essential factor productivity has been bigger than 1,which explains the degree of utilizing investment re-sources is higher than the average level.At the same time,the contribution rate of technological progress level is low,indi-cating that Guangxi innovation drive efficiency still needs to be improved.So we need to keep improving output efficiency, labor productivity,and ensure that the contribution rate of Guangxi science and technology
Measuring the Managerial Potential
Ion Gh. Rosca; George Moldoveanu
2009-01-01
The paper proposes the measurement of managerial and functional capabilities of the organization, as the dimensions of managerial potential, based on the configurative theory and not on the reductionist one. The components of the managerial potential are fulfilled by the capability of building organizational culture, managerial change and defining equity as the proximate type of social responsibility. The components are described in relation with the socio-economic model, useful in the proces...
Elements Of Theory Of Multidimensional Complex Variables
Martin, E. Dale
1993-01-01
Two reports describe elements of theory of multidimensional complex variables, with emphasis on three dimensions. First report introduces general theory. Second, presents further developments in theory of analytic functions of single three-dimensional variable and applies theory to representation of ideal flows. Results of preliminary studies suggest analytic functions of new three-dimensional complex variables useful in numerous applications, including representing of three-dimensional flows and potentials.
Blyth, T S; Sneddon, I N; Stark, M
1972-01-01
Residuation Theory aims to contribute to literature in the field of ordered algebraic structures, especially on the subject of residual mappings. The book is divided into three chapters. Chapter 1 focuses on ordered sets; directed sets; semilattices; lattices; and complete lattices. Chapter 2 tackles Baer rings; Baer semigroups; Foulis semigroups; residual mappings; the notion of involution; and Boolean algebras. Chapter 3 covers residuated groupoids and semigroups; group homomorphic and isotone homomorphic Boolean images of ordered semigroups; Dubreil-Jacotin and Brouwer semigroups; and loli
Diestel, Reinhard
2012-01-01
HauptbeschreibungThis standard textbook of modern graph theory, now in its fourth edition, combinesthe authority of a classic with the engaging freshness of style that is the hallmarkof active mathematics. It covers the core material of the subject with concise yetreliably complete proofs, while offering glimpses of more advanced methodsin each field by one or two deeper results, again with proofs given in full detail.The book can be used as a reliable text for an introductory course, as a graduatetext, and for self-study. Rezension"Deep, clear, wonderful. This is a serious book about the
2009-01-01
This book deals with the basic subjects of design theory. It begins with balanced incomplete block designs, various constructions of which are described in ample detail. In particular, finite projective and affine planes, difference sets and Hadamard matrices, as tools to construct balanced incomplete block designs, are included. Orthogonal latin squares are also treated in detail. Zhu's simpler proof of the falsity of Euler's conjecture is included. The construction of some classes of balanced incomplete block designs, such as Steiner triple systems and Kirkman triple systems, are also given.
Goldie, Charles M
1991-01-01
This book is an introduction, for mathematics students, to the theories of information and codes. They are usually treated separately but, as both address the problem of communication through noisy channels (albeit from different directions), the authors have been able to exploit the connection to give a reasonably self-contained treatment, relating the probabilistic and algebraic viewpoints. The style is discursive and, as befits the subject, plenty of examples and exercises are provided. Some examples and exercises are provided. Some examples of computer codes are given to provide concrete illustrations of abstract ideas.
Merris, Russell
2001-01-01
A lively invitation to the flavor, elegance, and power of graph theoryThis mathematically rigorous introduction is tempered and enlivened by numerous illustrations, revealing examples, seductive applications, and historical references. An award-winning teacher, Russ Merris has crafted a book designed to attract and engage through its spirited exposition, a rich assortment of well-chosen exercises, and a selection of topics that emphasizes the kinds of things that can be manipulated, counted, and pictured. Intended neither to be a comprehensive overview nor an encyclopedic reference, th
Inflation in anisotropic scalar-tensor theories
Energy Technology Data Exchange (ETDEWEB)
Pimentel, L.O.; Stein-Schabes, J.
1989-01-05
The existence of an inflationary phase in anisotropic scalar-tensor theories is investigated by means of a conformal transformation that allows us to rewrite these theories as gravity minimally coupled to a scalar field with a non-trivial potential. We then use the explicit form of the potential and the no hair theorem to conclude that there is an inflationary phase in all open or flat anisotropic spacetimes in these theories. Several examples are constructed where the effect becomes manifest.
Inflation in anisotropic scalar-tensor theories
Pimentel, Luis O.; Stein-Schabes, Jaime
1988-01-01
The existence of an inflationary phase in anisotropic Scalar-Tensor Theories is investigated by means of a conformal transformation that allows us to rewrite these theories as gravity minimally coupled to a scalar field with a nontrivial potential. The explicit form of the potential is then used and the No Hair Theorem concludes that there is an inflationary phase in all open or flat anisotropic spacetimes in these theories. Several examples are constructed where the effect becomes manifest.
Optimality theory in phonological acquisition.
Barlow, J A; Gierut, J A
1999-12-01
This tutorial presents an introduction to the contemporary linguistic framework known as optimality theory (OT). The basic assumptions of this constraint-based theory as a general model of grammar are first outlined, with formal notation being defined and illustrated. Concepts unique to the theory, including "emergence of the unmarked," are also described. OT is then examined more specifically within the context of phonological acquisition. The theory is applied in descriptions of children's common error patterns, observed inter- and intrachild variation, and productive change over time. The particular error patterns of fronting, stopping, final-consonant deletion, and cluster simplification are considered from an OT perspective. The discussion concludes with potential clinical applications and extensions of the theory to the diagnosis and treatment of children with functional phonological disorders.
Order Theory in Environmental Sciences
DEFF Research Database (Denmark)
Sørensen, P. B.; Brüggemann, R.; Lerche, D. B.
This is the proceeding from the fifth workshop in Order Theory in Environ-mental Science. In this workshop series the concept of Partial Order Theory is development in relation to application and the use is tested based on specific problems. The Partial Order Theory will have a potential use...... in cases where more than one criterion is included in a prioritisation problem both in relation to decision support and in relation to data-mining and interpretation. Espe-cially the problems where a high degree of complexity results in considerable uncertainty are good candidates for application...
Theory of slightly fluctuating ratchets
Rozenbaum, V. M.; Shapochkina, I. V.; Lin, S. H.; Trakhtenberg, L. I.
2017-04-01
We consider a Brownian particle moving in a slightly fluctuating potential. Using the perturbation theory on small potential fluctuations, we derive a general analytical expression for the average particle velocity valid for both flashing and rocking ratchets with arbitrary, stochastic or deterministic, time dependence of potential energy fluctuations. The result is determined by the Green's function for diffusion in the time-independent part of the potential and by the features of correlations in the fluctuating part of the potential. The generality of the result allows describing complex ratchet systems with competing characteristic times; these systems are exemplified by the model of a Brownian photomotor with relaxation processes of finite duration.
Dimensional reduction and the Higgs potential
Energy Technology Data Exchange (ETDEWEB)
Farakos, K.; Koutsoumbas, G.; Surridge, M.; Zoupanos, G.
1987-08-17
Dimensional reduction of pure gauge theories over a compact coset space S/R leads to 4-dimensional gauge theories, where Higgs fields and the corresponding potential appear naturally. We derive and examine the Higgs potential in certain classes of dimensionally reduced models. In some of these models with Higgs potential of geometrical origin, the spontaneous symmetry breaking takes us a step closer towards the observed low energy gauge theory.
1980-04-15
general and PAN AIR in particula -, with detailed mathematical formulations re3erved For the appendices. Section 2 contains a brief discussion of fluid...discusses the general theory of panel methods without discussing PAN AIR in particula ’. Section 4 is an overview of PAN AIR as it compares to older panel
Directory of Open Access Journals (Sweden)
David F Marks
2015-06-01
Full Text Available Health is regulated by homeostasis, a property of all living things. Homeostasis maintains equilibrium at set-points using feedback loops for optimum functioning of the organism. Imbalances in homeostasis causing overweight and obesity are evident in more than 1 billion people. In a new theory, homeostatic obesity imbalance is attributed to a hypothesized ‘Circle of Discontent’, a system of feedback loops linking weight gain, body dissatisfaction, negative affect and over-consumption. The Circle of Discontent theory is consistent with an extensive evidence base. A four-armed strategy to halt the obesity epidemic consists of (1 putting a stop to victim-blaming, stigma and discrimination; (2 devalorizing the thin-ideal; (3 reducing consumption of energy-dense, low-nutrient foods and drinks; and (4 improving access to plant-based diets. If fully implemented, interventions designed to restore homeostasis have the potential to halt the obesity epidemic.
Homeostatic theory of obesity.
Marks, David F
2015-01-01
Health is regulated by homeostasis, a property of all living things. Homeostasis maintains equilibrium at set-points using feedback loops for optimum functioning of the organism. Imbalances in homeostasis causing overweight and obesity are evident in more than 1 billion people. In a new theory, homeostatic obesity imbalance is attributed to a hypothesized 'Circle of Discontent', a system of feedback loops linking weight gain, body dissatisfaction, negative affect and over-consumption. The Circle of Discontent theory is consistent with an extensive evidence base. A four-armed strategy to halt the obesity epidemic consists of (1) putting a stop to victim-blaming, stigma and discrimination; (2) devalorizing the thin-ideal; (3) reducing consumption of energy-dense, low-nutrient foods and drinks; and (4) improving access to plant-based diets. If fully implemented, interventions designed to restore homeostasis have the potential to halt the obesity epidemic.
Directory of Open Access Journals (Sweden)
Dean P. Jones
2015-08-01
Full Text Available Metazoan genomes encode exposure memory systems to enhance survival and reproductive potential by providing mechanisms for an individual to adjust during lifespan to environmental resources and challenges. These systems are inherently redox networks, arising during evolution of complex systems with O2 as a major determinant of bioenergetics, metabolic and structural organization, defense, and reproduction. The network structure decreases flexibility from conception onward due to differentiation and cumulative responses to environment (exposome. The redox theory of aging is that aging is a decline in plasticity of genome–exposome interaction that occurs as a consequence of execution of differentiation and exposure memory systems. This includes compromised mitochondrial and bioenergetic flexibility, impaired food utilization and metabolic homeostasis, decreased barrier and defense capabilities and loss of reproductive fidelity and fecundity. This theory accounts for hallmarks of aging, including failure to maintain oxidative or xenobiotic defenses, mitochondrial integrity, proteostasis, barrier structures, DNA repair, telomeres, immune function, metabolic regulation and regenerative capacity.
Diestel, Reinhard
2000-01-01
This book is a concise, yet carefully written, introduction to modern graph theory, covering all its major recent developments. It can be used both as a reliable textbook for an introductory course and as a graduate text: on each topic it covers all the basic material in full detail, and adds one or two deeper results (again with detailed proofs) to illustrate the more advanced methods of that field. This second edition extends the first in two ways. It offers a thoroughly revised and updated chapter on graph minors, which now includes full new proofs of two of the central Robertson-Seymour theorems (as well as a detailed sketch of the entire proof of their celebrated Graph Minor Theorem). Second, there is now a section of hints for all the exercises, to enhance their value for both individual study and classroom use.
DEFF Research Database (Denmark)
Jensen, Klaus Bruhn
2016-01-01
evolution and history: practical resources for human existence and social coexistence. Such practical concepts have served as the point of departure for diverse theoretical conceptions of what communication is. The second part of the article highlights the past neglect and current potential of normative...
General Theories of Regulation
Hertog, J.A. den
1999-01-01
This chapter makes a distinction between three types of theories of regulation: public interest theories, the Chicago theory of regulation and the public choice theories. The Chicago theory is mainly directed at the explanation of economic regulation; public interest theories and public choice theor
Karkheck, John; Stell, George
1981-08-01
A kinetic mean-field theory for the evolution of the one-particle distribution function is derived from maximizing the entropy. For a potential with a hard-sphere core plus tail, the resulting theory treats the hard-core part as in the revised Enskog theory. The tail, weighted by the hard-sphere pair distribution function, appears linearly in a mean-field term. The kinetic equation is accompanied by an entropy functional for which an H theorem was proven earlier. The revised Enskog theory is obtained by setting the potential tail to zero, the Vlasov equation is obtained by setting the hard-sphere diameter to zero, and an equation of the Enskog-Vlasov type is obtained by effecting the Kac limit on the potential tail. At equilibrium, the theory yields a radial distribution function that is given by the hard-sphere reference system and thus furnishes through the internal energy a thermodynamic description which is exact to first order in inverse temperature. A second natural route to thermodynamics (from the momentum flux which yields an approximate equation of state) gives somewhat different results; both routes coincide and become exact in the Kac limit. Our theory furnishes a conceptual basis for the association in the heuristically based modified Enskog theory (MET) of the contact value of the radial distribution function with the ''thermal pressure'' since this association follows from our theory (using either route to thermodynamics) and moreover becomes exact in the Kac limit. Our transport theory is readily extended to the general case of a soft repulsive core, e.g., as exhibited by the Lennard-Jones potential, via by-now-standard statistical-mechanical methods involving an effective hard-core potential, thus providing a self-contained statistical-mechanical basis for application to such potentials that is lacking in the standard versions of the MET. We obtain very good agreement with experiment for the thermal conductivity and shear viscosity of several
Partition density functional theory
Nafziger, Jonathan
Partition density functional theory (PDFT) is a method for dividing a molecular electronic structure calculation into fragment calculations. The molecular density and energy corresponding to Kohn Sham density-functional theory (KS-DFT) may be exactly recovered from these fragments. Each fragment acts as an isolated system except for the influence of a global one-body 'partition' potential which deforms the fragment densities. In this work, the developments of PDFT are put into the context of other fragment-based density functional methods. We developed three numerical implementations of PDFT: One within the NWChem computational chemistry package using basis sets, and the other two developed from scratch using real-space grids. It is shown that all three of these programs can exactly reproduce a KS-DFT calculation via fragment calculations. The first of our in-house codes handles non-interacting electrons in arbitrary one-dimensional potentials with any number of fragments. This code is used to explore how the exact partition potential changes for different partitionings of the same system and also to study features which determine which systems yield non-integer PDFT occupations and which systems are locked into integer PDFT occupations. The second in-house code, CADMium, performs real-space calculations of diatomic molecules. Features of the exact partition potential are studied for a variety of cases and an analytical formula determining singularities in the partition potential is derived. We introduce an approximation for the non-additive kinetic energy and show how this quantity can be computed exactly. Finally a PDFT functional is developed to address the issues of static correlation and delocalization errors in approximations within DFT. The functional is applied to the dissociation of H2 + and H2.
Potentialities of Revised Quantum Electrodynamics
Directory of Open Access Journals (Sweden)
Lehnert B.
2013-10-01
Full Text Available The potentialities of a revised quantum electrodynamic theory (RQED earlier established by the author are reconsidered, also in respect to other fundamental theories such as those by Dirac and Higgs. The RQED theory is characterized by intrinsic linear symmetry breaking due to a nonzero divergence of the electric field strength in the vacuum state, as supported by the Zero Point Energy and the experimentally confirmed Casimir force. It includes the results of electron spin and antimatter by Dirac, as well as the rest mass of elementary particles predicted by Higgs in terms of spontaneous nonlinear symmetry breaking. It will here be put into doubt whether the approach by Higgs is the only theory which becomes necessary for explaining the particle rest masses. In addition, RQED theory leads to new results beyond those being available from the theories by Dirac, Higgs and the Standard Model, such as in applications to leptons and the photon.
Theory of electromagnetic fields
Wolski, Andrzej
2011-01-01
We discuss the theory of electromagnetic fields, with an emphasis on aspects relevant to radiofrequency systems in particle accelerators. We begin by reviewing Maxwell's equations and their physical significance. We show that in free space, there are solutions to Maxwell's equations representing the propagation of electromagnetic fields as waves. We introduce electromagnetic potentials, and show how they can be used to simplify the calculation of the fields in the presence of sources. We derive Poynting's theorem, which leads to expressions for the energy density and energy flux in an electromagnetic field. We discuss the properties of electromagnetic waves in cavities, waveguides and transmission lines.
THEORIES OF CORPORATE GOVERNANCE
Directory of Open Access Journals (Sweden)
Sorin Nicolae BORLEA
2013-03-01
Full Text Available This study attempts to provide a theoretical framework for the corporate governance debate. The review of various corporate governance theories enhances the major objective of corporate governance which is maximizing the value for shareholders by ensuring good social and environment performances. The theories of corporate governance are rooted in agency theory with the theory of moral hazard’s implications, further developing within stewardship theory and stakeholder theory and evolving at resource dependence theory, transaction cost theory and political theory. Later, to these theories was added ethics theory, information asymmetry theory or the theory of efficient markets. These theories are defined based on the causes and effects of variables such as: the configuration of the board of directors, audit committee, independence of managers, the role of top management and their social relations beyond the legal regulatory framework. Effective corporate governance requires applying a combination
Gauge theory and little gauge theory
Koizumi, Kozo
2016-01-01
The gauge theory is the most important type of the field theory, in which the interactions of the elementary particles are described by the exchange of the gauge bosons.In this article, the gauge theory is reexamined as geometry of the vector space, and a new concept of "little gauge theory" is introduced. A key peculiarity of the little gauge theory is that the theory is able to give a restriction for form of the connection field. Based on the little gauge theory, Cartan geometry, a charged boson and the Dirac fermion field theory are investigated. In particular, the Dirac fermion field theory leads to an extension of Sogami's covariant derivative. And it is interpreted that Higgs bosons are included in new fields introduced in this article.
Riyopoulos, Spilios
1996-03-01
A guiding center fluid theory is applied to model steady-state, single mode, high-power magnetron operation. A hub of uniform, prescribed density, feeds the current spokes. The spoke charge follows from the continuity equation and the incompressibility of the guiding center flow. Included are the spoke self-fields (DC and AC), obtained by an expansion around the unperturbed (zero-spoke charge) flow in powers of ν/V1, ν, and V1 being the effective charge density and AC amplitude. The spoke current is obtained as a nonlinear function of the detuning from the synchronous (Buneman-Hartree, BH) voltage Vs; the spoke charge is included in the self-consistent definition of Vs. It is shown that there is a DC voltage region of width ‖V-Vs‖˜V1, where the spoke width is constant and the spoke current is simply proportional to the AC voltage. The magnetron characteristic curves are ``flat'' in that range, and are approximated by a linear expansion around Vs. The derived formulas differ from earlier results [J. F. Hull, in Cross Field Microwave Devices, edited by E. Okress (Academic, New York, 1961), pp. 496-527] in (a) there is no current cutoff at synchronism; the tube operates well below as well above the BH voltage; (b) the characteristics are single valued within the synchronous voltage range; (c) the hub top is not treated as virtual cathode; and (d) the hub density is not equal to the Brillouin density; comparisons with tube measurements show the best agreement for hub density near half the Brillouin density. It is also shown that at low space charge and low power the gain curve is symmetric relative to the voltage (frequency) detuning. While symmetry is broken at high-power/high space charge magnetron operation, the BH voltage remains between the current cutoff voltages.
Information: theory, brain, and behavior.
Jensen, Greg; Ward, Ryan D; Balsam, Peter D
2013-11-01
In the 65 years since its formal specification, information theory has become an established statistical paradigm, providing powerful tools for quantifying probabilistic relationships. Behavior analysis has begun to adopt these tools as a novel means of measuring the interrelations between behavior, stimuli, and contingent outcomes. This approach holds great promise for making more precise determinations about the causes of behavior and the forms in which conditioning may be encoded by organisms. In addition to providing an introduction to the basics of information theory, we review some of the ways that information theory has informed the studies of Pavlovian conditioning, operant conditioning, and behavioral neuroscience. In addition to enriching each of these empirical domains, information theory has the potential to act as a common statistical framework by which results from different domains may be integrated, compared, and ultimately unified.
INFORMATION: THEORY, BRAIN, AND BEHAVIOR
Jensen, Greg; Ward, Ryan D.; Balsam, Peter D.
2016-01-01
In the 65 years since its formal specification, information theory has become an established statistical paradigm, providing powerful tools for quantifying probabilistic relationships. Behavior analysis has begun to adopt these tools as a novel means of measuring the interrelations between behavior, stimuli, and contingent outcomes. This approach holds great promise for making more precise determinations about the causes of behavior and the forms in which conditioning may be encoded by organisms. In addition to providing an introduction to the basics of information theory, we review some of the ways that information theory has informed the studies of Pavlovian conditioning, operant conditioning, and behavioral neuroscience. In addition to enriching each of these empirical domains, information theory has the potential to act as a common statistical framework by which results from different domains may be integrated, compared, and ultimately unified. PMID:24122456
Capacity theory on algebraic curves
Rumely, Robert S
1989-01-01
Capacity is a measure of size for sets, with diverse applications in potential theory, probability and number theory. This book lays foundations for a theory of capacity for adelic sets on algebraic curves. Its main result is an arithmetic one, a generalization of a theorem of Fekete and Szegö which gives a sharp existence/finiteness criterion for algebraic points whose conjugates lie near a specified set on a curve. The book brings out a deep connection between the classical Green's functions of analysis and Néron's local height pairings; it also points to an interpretation of capacity as a kind of intersection index in the framework of Arakelov Theory. It is a research monograph and will primarily be of interest to number theorists and algebraic geometers; because of applications of the theory, it may also be of interest to logicians. The theory presented generalizes one due to David Cantor for the projective line. As with most adelic theories, it has a local and a global part. Let /K be a smooth, complet...
Apostol, M
2001-01-01
sup 3 He liquefies at 3.2 K under normal pressure, where its mean inter-particle separation of a few angstroms, is comparable with the range of the interaction potential (and with the mean inter-particle separation in the corresponding ideal gas); its thermal wavelength is about 8 A, so that, under this conditions, sup 3 He is a quantum liquid of fermions, or a Fermi liquid (sometimes called a normal Fermi liquid too). The motion of the sup 3 He atoms in the (repulsive) self-consistent, meanfield potential is affected by inertial effects, i.e. the particles possess an effective mass, and consequently they obey the Fermi distribution, like an ideal Fermi gas. In this paper the Landau's theory of the Fermi liquid is reviewed. (author)
Universities as Theory Z Organizations.
McQuillen, Charles D.
1982-01-01
Contrasts in the approaches of a Japanese company and the American university to management development provide the basis for a discussion of Theory Z's potential application to faculty affairs. Among the issues discussed are the tenure and promotion system, collegial decision making and responsibility, faculty development and incentives, and…
Rethinking phonological theories of reading.
Rastle, Kathleen
2012-10-01
One key insight of Frost's target article is that morphology has priority over phonology in writing and in cognitive processing. I argue that this insight raises challenges for theories that put phonology at the heart of the reading process. Instead, it highlights the potential importance of a morphemically based visual pathway to meaning in this process.
Thicoipe, Sandrine; Carbonniere, Philippe; Pouchan, Claude
2013-08-15
This study presents structural properties of microhydrated nucleic acid bases (NABs) - uracil (U), thymine (T), guanine (G), adenine (A), and cytosine (C) - investigated by theoretical computations at the B3LYP level of theory. To obtain the different representations of these microhydrated species, we applied the GSAM procedure: the most stable conformers labeled X,nH2O (X = U, T, G, A and n = 1...5) for which the Boltzmann population is higher than 2% at 298K are calculated at the B3LYP and B3LYP-D levels of theory. At the B3LYP level, our calculated geometries are compared with those obtained in the literature. New physically relevant isomers are found with the GSAM algorithm, especially for the tetra- and pentahydrated species. The use of DFT-D functional does not strongly modify the relative energies of the isomers for the monohydrated species. When the number of water molecules increases, the results become extremely sensitive to the consideration of dispersion contributions.
Müller, Gert; Sacks, Gerald
1990-01-01
These proceedings contain research and survey papers from many subfields of recursion theory, with emphasis on degree theory, in particular the development of frameworks for current techniques in this field. Other topics covered include computational complexity theory, generalized recursion theory, proof theoretic questions in recursion theory, and recursive mathematics.
1982-02-01
of collections of associations, Need theory consists of interrelated concepts, social learning theory consists of rule application in the social...Ryan’s Learning Subdivisions Hierarchically Arranged -27- Landy: ONR Annual Report Expectancy Theory Effectance Theory Social Learning Theory Self-Esteem
Renormalization of singular potentials and power counting
Long, B.; van Koick, U.; van Kolck, U.
2008-01-01
We use a toy model to illustrate how to build effective theories for singular potentials. We consider a central attractive 1/r(2) potential perturbed by a 1/r(4) correction. The power-counting rule, an important ingredient of effective theory, is established by seeking the minimum set of short-range
Decidability of formal theories and hyperincursivity theory
Grappone, Arturo G.
2000-05-01
This paper shows the limits of the Proof Standard Theory (briefly, PST) and gives some ideas of how to build a proof anticipatory theory (briefly, PAT) that has no such limits. Also, this paper considers that Gödel's proof of the undecidability of Principia Mathematica formal theory is not valid for axiomatic theories that use a PAT to build their proofs because the (hyper)incursive functions are self-representable.
Quantum theory of nonlocal nonlinear Schrodinger equation
Vyas, Vivek M
2015-01-01
Nonlocal nonlinear Schrodinger model is quantised and exactly solved using the canonical framework. It is found that the usual canonical quantisation of the model leads to a theory with pathological inner product. This problem is resolved by constructing another inner product over the vector space of the theory. The resultant theory is found to be identical to that of nonrelativistic bosons with delta function interaction potential, devoid of any nonlocality. The exact eigenstates are found using the Bethe ansatz technique.
General degeneracy in density functional perturbation theory
Palenik, Mark C
2016-01-01
Degenerate perturbation theory from quantum mechanics is inadequate in density functional theory (DFT) because of nonlinearity in the Kohn-Sham potential. We develop the fully general degenerate perturbation theory for DFT without assuming that the degeneracy is required by symmetry. The resulting methodology is applied to the iron atom ground state in order to demonstrate the effects of degeneracy that appears both due to symmetry requirements and accidentally, between different representations of the symmetry group.
Vocation in theology-based nursing theories.
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.
Mangani, P
2011-01-01
This title includes: Lectures - G.E. Sacks - Model theory and applications, and H.J. Keisler - Constructions in model theory; and, Seminars - M. Servi - SH formulas and generalized exponential, and J.A. Makowski - Topological model theory.
Decoding the architectural theory
Institute of Scientific and Technical Information of China (English)
Gu Mengchao
2008-01-01
Starting from the illustration of the definition and concept of the architectural theory, the author established his unique understanding about the framework of the architectural theory and the innovation of the architectural theory underlined by Chinese characteristics.
Murray, Paul R.; Paul R., Murray
2001-01-01
This paper deals with two difficult questions: (1) What is literary theory? and (2) What does literary theory do? Literary theory is contrasted to literary criticism, and theory is found to be a more all-embracing, inclusive field than criticism, which is tied more closely to literature itself. Literary theory is shown to be a multitude of differing ways of looking at literature, with each theory yielding differing results.
Review of Hydroelasticity Theories
DEFF Research Database (Denmark)
Chen, Xu-jun; Wu, You-sheng; Cui, Wei-cheng
2006-01-01
Existing hydroelastic theories are reviewed. The theories are classified into different types: two-dimensional linear theory, two-dimensional nonlinear theory, three-dimensional linear theory and three-dimensional nonlinear theory. Applications to analysis of very large floating structures (VLFS)......) are reviewed and discussed in details. Special emphasis is placed on papers from China and Japan (in native languages) as these papers are not generally publicly known in the rest of the world....
Energy Technology Data Exchange (ETDEWEB)
Bulut, Shevkinaz; Gorgels, Arno
2008-05-15
The following topics are dealt with: The search for the universal concept of the world formula, starting of the new physics era by the superquantum theory, number distance and potential field, set theory, the possible solution of the century problem of Cantor, gravitation, derivation of the imaginary unit j{sup 2}=-1, background noise, eigenspaces, unification of the natural forces. (HSI)
World-Systems Theory and Feminist Scholarship.
Smith, Joan
World systems theory and feminist scholarship each have a great deal to offer the other, but the connections between the two have not often been recognized. The potential contributions from world systems theory include: (1) its understanding of history, (2) its understanding of what that history comprises, and (3) how it employs Marxist historical…
Exploring CRM effectiveness: an institutional theory perspective
B. Hillebrand (Bas); J.J. Nijholt (Jurriaan); E.J. Nijssen (Edwin)
2011-01-01
textabstractThis study identifies the potential contribution that institutional theory can make to understanding the success of marketing practices. Based on institutional theory, we argue that the effectiveness of marketing practices decreases when firms are motivated to adopt such practices under
Exploring CRM effectiveness: an institutional theory perspective
B. Hillebrand (Bas); J.J. Nijholt (Jurriaan); E.J. Nijssen (Edwin)
2011-01-01
textabstractThis study identifies the potential contribution that institutional theory can make to understanding the success of marketing practices. Based on institutional theory, we argue that the effectiveness of marketing practices decreases when firms are motivated to adopt such practices under
Mahatma Gandhi's Theory of Nonviolent Communication.
Bode, Robert A.
In this paper, an attempt is made to reveal from Gandhi's thoughts, life, and work a nonviolent communication theory. The revelation of such a theory of nonviolent communication has the potential to add substantially to the understanding of what may bring about greater communal harmony in a variety of communication contexts, and the ability to…
Optimality theory as a general cognitive architecture
Biró, T.; Gervain, J.
2011-01-01
It was exactly 25 years ago that Paul Smolensky introduced Harmony Theory (Smolensky, 1986), a framework that would pursue an exciting, but certainly not straight path through linguistics (namely, Optimality Theory) and other cognitive domains. The goal of this workshop is not so much to look back to this path, but rather to discuss its potential continuation(s).
Grounded theory, feminist theory, critical theory: toward theoretical triangulation.
Kushner, Kaysi Eastlick; Morrow, Raymond
2003-01-01
Nursing and social science scholars have examined the compatibility between feminist and grounded theory traditions in scientific knowledge generation, concluding that they are complementary, yet not without certain tensions. This line of inquiry is extended to propose a critical feminist grounded theory methodology. The construction of symbolic interactionist, feminist, and critical feminist variants of grounded theory methodology is examined in terms of the presuppositions of each tradition and their interplay as a process of theoretical triangulation.
Postnikov, MM; Stark, M; Ulam, S
1962-01-01
Foundations of Galois Theory is an introduction to group theory, field theory, and the basic concepts of abstract algebra. The text is divided into two parts. Part I presents the elements of Galois Theory, in which chapters are devoted to the presentation of the elements of field theory, facts from the theory of groups, and the applications of Galois Theory. Part II focuses on the development of general Galois Theory and its use in the solution of equations by radicals. Equations that are solvable by radicals; the construction of equations solvable by radicals; and the unsolvability by radica
Boley, Bruno A
1997-01-01
Highly regarded text presents detailed discussion of fundamental aspects of theory, background, problems with detailed solutions. Basics of thermoelasticity, heat transfer theory, thermal stress analysis, more. 1985 edition.
The Nonlinear Field Space Theory
Mielczarek, Jakub; Trześniewski, Tomasz
2016-08-01
In recent years the idea that not only the configuration space of particles, i.e. spacetime, but also the corresponding momentum space may have nontrivial geometry has attracted significant attention, especially in the context of quantum gravity. The aim of this letter is to extend this concept to the domain of field theories, by introducing field spaces (i.e. phase spaces of field values) that are not affine spaces. After discussing the motivation and general aspects of our approach we present a detailed analysis of the prototype (quantum) Nonlinear Field Space Theory of a scalar field on the Minkowski background. We show that the nonlinear structure of a field space leads to numerous interesting predictions, including: non-locality, generalization of the uncertainty relations, algebra deformations, constraining of the maximal occupation number, shifting of the vacuum energy and renormalization of the charge and speed of propagation of field excitations. Furthermore, a compact field space is a natural way to implement the "Principle of finiteness" of physical theories, which once motivated the Born-Infeld theory. Thus the presented framework has a variety of potential applications in the theories of fundamental interactions (e.g. quantum gravity), as well as in condensed matter physics (e.g. continuous spin chains), and can shed new light on the issue of divergences in quantum field theories.
The Nonlinear Field Space Theory
Energy Technology Data Exchange (ETDEWEB)
Mielczarek, Jakub, E-mail: jakub.mielczarek@uj.edu.pl [Institute of Physics, Jagiellonian University, ul. Łojasiewicza 11, 30-348 Kraków (Poland); Trześniewski, Tomasz, E-mail: tbwbt@ift.uni.wroc.pl [Institute of Physics, Jagiellonian University, ul. Łojasiewicza 11, 30-348 Kraków (Poland); Institute for Theoretical Physics, University of Wrocław, pl. Borna 9, 50-204 Wrocław (Poland)
2016-08-10
In recent years the idea that not only the configuration space of particles, i.e. spacetime, but also the corresponding momentum space may have nontrivial geometry has attracted significant attention, especially in the context of quantum gravity. The aim of this letter is to extend this concept to the domain of field theories, by introducing field spaces (i.e. phase spaces of field values) that are not affine spaces. After discussing the motivation and general aspects of our approach we present a detailed analysis of the prototype (quantum) Nonlinear Field Space Theory of a scalar field on the Minkowski background. We show that the nonlinear structure of a field space leads to numerous interesting predictions, including: non-locality, generalization of the uncertainty relations, algebra deformations, constraining of the maximal occupation number, shifting of the vacuum energy and renormalization of the charge and speed of propagation of field excitations. Furthermore, a compact field space is a natural way to implement the “Principle of finiteness” of physical theories, which once motivated the Born–Infeld theory. Thus the presented framework has a variety of potential applications in the theories of fundamental interactions (e.g. quantum gravity), as well as in condensed matter physics (e.g. continuous spin chains), and can shed new light on the issue of divergences in quantum field theories.
The Nonlinear Field Space Theory
Directory of Open Access Journals (Sweden)
Jakub Mielczarek
2016-08-01
Full Text Available In recent years the idea that not only the configuration space of particles, i.e. spacetime, but also the corresponding momentum space may have nontrivial geometry has attracted significant attention, especially in the context of quantum gravity. The aim of this letter is to extend this concept to the domain of field theories, by introducing field spaces (i.e. phase spaces of field values that are not affine spaces. After discussing the motivation and general aspects of our approach we present a detailed analysis of the prototype (quantum Nonlinear Field Space Theory of a scalar field on the Minkowski background. We show that the nonlinear structure of a field space leads to numerous interesting predictions, including: non-locality, generalization of the uncertainty relations, algebra deformations, constraining of the maximal occupation number, shifting of the vacuum energy and renormalization of the charge and speed of propagation of field excitations. Furthermore, a compact field space is a natural way to implement the “Principle of finiteness” of physical theories, which once motivated the Born–Infeld theory. Thus the presented framework has a variety of potential applications in the theories of fundamental interactions (e.g. quantum gravity, as well as in condensed matter physics (e.g. continuous spin chains, and can shed new light on the issue of divergences in quantum field theories.
Concerning interpretations of activity theory.
Mironenko, Irina A
2013-09-01
Activity theory (AT) is the most recognised part of Russian psychology outside Russia. However the general view of AT in international science is rather unilateral, lacking substantial aspects and areas necessary for proper understanding. This article is aimed at expanding the image of AT dominant in the mainstream which reduces the AT trend to A.N. Leontiev's theory. This reduction impoverishes the creative potentialities of the trend, and decreases the ability of AT to contribute to international science. We aim to reveal that AT is not limited to Leontiev's approach, to explain which ideas of the founders of AT, S.L. Rubinstein and L.S. Vygotsky, were pursued and which were rejected by A.N. Leontiev, and to assess another important contribution to the AT trend - the theory of B.G. Ananiev, where the ideas of AT's founders were developed which were not succeeded by A.N. Leontiev. Historical causes and consequences of the general reduction of the image of AT in the mainstream to Leontiev's theory are considered: why the discrepancies between views of Rubinstein, Vygotsky and Leontiev were hardly ever discussed in public and why other theories contemporary to Leontiev's theory were never given account appropriate to their value in Russia and remain almost unknown abroad.
Jardine, John F
2015-01-01
This monograph on the homotopy theory of topologized diagrams of spaces and spectra gives an expert account of a subject at the foundation of motivic homotopy theory and the theory of topological modular forms in stable homotopy theory. Beginning with an introduction to the homotopy theory of simplicial sets and topos theory, the book covers core topics such as the unstable homotopy theory of simplicial presheaves and sheaves, localized theories, cocycles, descent theory, non-abelian cohomology, stacks, and local stable homotopy theory. A detailed treatment of the formalism of the subject is interwoven with explanations of the motivation, development, and nuances of ideas and results. The coherence of the abstract theory is elucidated through the use of widely applicable tools, such as Barr's theorem on Boolean localization, model structures on the category of simplicial presheaves on a site, and cocycle categories. A wealth of concrete examples convey the vitality and importance of the subject in topology, n...
Theories and mechanisms of aging.
Cefalu, Charles A
2011-11-01
This article discusses various theories of aging and their relative plausibility related to the human aging process. Structural and physiologic changes of aging are discussed in detail by organ system. Each of the organ systems is discussed when applicable to the various theories of aging. Normal versus abnormal aging is discussed in the context of specific aging processes, with atypical presentations of disease and general links to life expectancy. Life expectancy and lifespan are discussed in the context of advances in medical science and the potential ultimate link to human life span.
Deriving quantum theory from its local structure and reversibility.
de la Torre, Gonzalo; Masanes, Lluís; Short, Anthony J; Müller, Markus P
2012-08-31
We investigate the class of physical theories with the same local structure as quantum theory but potentially different global structure. It has previously been shown that any bipartite correlations generated by such a theory can be simulated in quantum theory but that this does not hold for tripartite correlations. Here we explore whether imposing an additional constraint on this space of theories-that of dynamical reversibility-will allow us to recover the global quantum structure. In the particular case in which the local systems are identical qubits, we show that any theory admitting at least one continuous reversible interaction must be identical to quantum theory.
Institute of Scientific and Technical Information of China (English)
刘杨蒂
2016-01-01
Facing the current rapid social and economic development, material life of the elderly has been greatly satisfied, but their spiritual demand is increasingly obvious. Community cultural pension service is a new way to support the aged, which reflects both the Chinese traditional culture and contemporary human solicitude. Based on Maslow's hierarchy of needs theory, this paper analyzes the current situation and the plight of community culture pension services, therefore the strategies to perfect this service are put forward.%社区“文化养老”是面对当前社会经济快速发展，老年人物质生活得到极大满足，而精神需求日趋明显的形势下提出的一种体现中国传统文化与当代人文关怀的新型养老方式。结合马斯洛需要层次理论，对社区文化养老服务的发展现状及困境进行梳理，从需求层次理论角度分析养老需求，在此基础上提出社区文化养老服务的完善策略。
Wiese, U J
2005-01-01
Field theories are usually quantized by performing a path integral over configurations of classical fields. This is the case both in perturbation theory and in Wilson's nonperturbative lattice field theory. D-theory is an alternative nonperturbative formulation of field theory in which classical fields emerge from the low-energy collective dynamics of discrete quantum variables (quantum spins and their gauge analogs -- quantum links) which undergo dimensional reduction. D-theory was developed some time ago as a discrete approach to U(1) and SU(2) pure gauge theories, extended to SU(N) gauge theories and full QCD, and also applied to a variety of other models. On the practical side, D-theory provides a framework for the development of efficient numerical methods, such as cluster algorithms. For example, in the D-theory formulation of CP(N-1) models one can simulate efficiently at non-zero chemical potential or at non-zero vacuum angle theta. On the conceptual side, D-theory offers a natural solution for the no...
Are Advanced Potentials Anomalous?
Ibison, Michael
2006-10-01
Advanced electromagnetic potentials are indigenous to the classical Maxwell theory. Generally however they are deemed undesirable and are forcibly excluded, destroying the theory's inherent time-symmetry. We investigate the reason for this, pointing out that it is not necessary and in some cases is counter-productive. We then focus on the direct-action theory in which the advanced and retarded contributions are present symmetrically, with no opportunity supplement the particular integral solution of the wave equation with an arbitrary complementary function. One then requires a plausible explanation for the observed broken symmetry that, commonly, is understood cannot be met by the Wheeler-Feynman mechanism because the necessary boundary condition cannot be satisfied in acceptable cosmologies. We take this opportunity to argue that the boundary condition is already met by all expanding cosmologies simply as a result of cosmological red-shift. A consequence is that the cosmological and thermodynamic arrows of time can be equated, the direct action version of EM is preferred, and that advanced potentials are ubiquitous.
Goldstein, Sheldon; Struyve, Ward
2015-01-01
Non-relativistic de Broglie-Bohm theory describes particles moving under the guidance of the wave function. In de Broglie's original formulation, the particle dynamics is given by a first-order differential equation. In Bohm's reformulation, it is given by Newton's law of motion with an extra potential that depends on the wave function—the quantum potential—together with a constraint on the possible velocities. It was recently argued, mainly by numerical simulations, that relaxing this velocity constraint leads to a physically untenable theory. We provide further evidence for this by showing that for various wave functions the particles tend to escape the wave packet. In particular, we show that for a central classical potential and bound energy eigenstates the particle motion is often unbounded. This work seems particularly relevant for ways of simulating wave function evolution based on Bohm's formulation of the de Broglie-Bohm theory. Namely, the simulations may become unstable due to deviations from the velocity constraint.
Jones, Dean P
2015-08-01
Metazoan genomes encode exposure memory systems to enhance survival and reproductive potential by providing mechanisms for an individual to adjust during lifespan to environmental resources and challenges. These systems are inherently redox networks, arising during evolution of complex systems with O2 as a major determinant of bioenergetics, metabolic and structural organization, defense, and reproduction. The network structure decreases flexibility from conception onward due to differentiation and cumulative responses to environment (exposome). The redox theory of aging is that aging is a decline in plasticity of genome-exposome interaction that occurs as a consequence of execution of differentiation and exposure memory systems. This includes compromised mitochondrial and bioenergetic flexibility, impaired food utilization and metabolic homeostasis, decreased barrier and defense capabilities and loss of reproductive fidelity and fecundity. This theory accounts for hallmarks of aging, including failure to maintain oxidative or xenobiotic defenses, mitochondrial integrity, proteostasis, barrier structures, DNA repair, telomeres, immune function, metabolic regulation and regenerative capacity. Copyright © 2015. Published by Elsevier B.V.
't Hooft, Gerardus; Witten, Edward
2005-01-01
In his later years, Einstein sought a unified theory that would extend general relativity and provide an alternative to quantum theory. There is now talk of a "theory of everything"; fifty years after his death, how close are we to such a theory? (3 pages)
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....
de Bruin, B.P.
2005-01-01
Game theory is the mathematical study of strategy and conflict. It has wide applications in economics, political science, sociology, and, to some extent, in philosophy. Where rational choice theory or decision theory is concerned with individual agents facing games against nature, game theory deals
Contemporary theories of democracy
Directory of Open Access Journals (Sweden)
Mladenović Ivan
2008-01-01
Full Text Available The aim of this paper is two-fold: first, to analyze several contemporary theories of democracy, and secondly, to propose a theoretical framework for further investigations based on analyzed theories. The following four theories will be analyzed: pluralism, social choice theory, deliberative democracy and participatory democracy.