WorldWideScience

Sample records for combined hartree-fock-roothaan theory

  1. The Hondo 15 program for calculation of molecule electronic structure: its adaptation to Cyber 170/750 system of IEAv and use manual

    International Nuclear Information System (INIS)

    Rosato, A.; Pinheiro, A.M.B.S.; Ornellas, F.R.; Roberto Neto, O.

    1985-01-01

    The HONDO/5 program, herein described, performs a Hartree-Fock-Roothaan type calculation in molecules employing Gaussian type functions in the expansion of the molecular orbitals. After a brief exposition of the method upon which the theory is based, a new manual is presented in a more detailed version than the original one. (Author) [pt

  2. Study on formalism of Griffin-Wheeler-Hartree-Fock equations and a propose for its variational discretization

    International Nuclear Information System (INIS)

    Barbosa, Rugles Cesar

    2002-01-01

    The present thesis is divided into two parts. The first part describes the many kind of the formalisms of the Generator Coordinate Hartree-Fock method (GCHFM) and second part describes the computational aspect applied to the GCHFM formalism in its discreet form. The major aim of this work is the development of an alternative method to non-linear parameters optimization (basis set) and later uses these optimized parameters to adjust the weight function into GCHFM method. The study of the weight function when N → ∞ (or for large N), where N represents the number of mesh, is important since the GCHFM theory in its continuous form depend on understanding of such behavior. In this thesis, a detailed study is carried out about the methodologies of the self-consistent solution of the GCHFM and some methodology aspects of non-linear parameters optimization. This work shows that the Generator Coordinate Hartree-Fock method is general and it has as particular case the Hartree-Fock Roothaan method. Some possible variations or combinations around of the characteristics of the GCHFM and a comparison with conventional SCF procedure are reported in this thesis. The piecewise weight function method developed in this work shows to be very good for collective parameter optimizations of the Generator Coordinate (GC). The GCHFM calculations are necessary restrict (GCM-RHF), especially when the calculated value energies approach of its numerical values or Hartree-Fock limit. In the optimization methods of state functions for atomic electronic systems is very common the application of the gradient method and its efficacy is not contested. However, the method describes above allow us to obtain results as good as the gradient method. The basis set generated using the piecewise weight function method for Gaussian type function were used in the Restrict Hartree-Fock (RHF) calculations to obtain the total energies for some atomic electronic systems, such as neutron atoms and ions in

  3. Study on formalism of Griffin-Wheeler-Hartree-Fock equations and a propose for its variational discretization; Estudo sobre o formalismo das equacoes Griffin-Wheeler-Hartree-Fock e uma proposta para sua discretizacao variacional

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Rugles Cesar

    2002-07-01

    The present thesis is divided into two parts. The first part describes the many kind of the formalisms of the Generator Coordinate Hartree-Fock method (GCHFM) and second part describes the computational aspect applied to the GCHFM formalism in its discreet form. The major aim of this work is the development of an alternative method to non-linear parameters optimization (basis set) and later uses these optimized parameters to adjust the weight function into GCHFM method. The study of the weight function when N {yields} {infinity} (or for large N), where N represents the number of mesh, is important since the GCHFM theory in its continuous form depend on understanding of such behavior. In this thesis, a detailed study is carried out about the methodologies of the self-consistent solution of the GCHFM and some methodology aspects of non-linear parameters optimization. This work shows that the Generator Coordinate Hartree-Fock method is general and it has as particular case the Hartree-Fock Roothaan method. Some possible variations or combinations around of the characteristics of the GCHFM and a comparison with conventional SCF procedure are reported in this thesis. The piecewise weight function method developed in this work shows to be very good for collective parameter optimizations of the Generator Coordinate (GC). The GCHFM calculations are necessary restrict (GCM-RHF), especially when the calculated value energies approach of its numerical values or Hartree-Fock limit. In the optimization methods of state functions for atomic electronic systems is very common the application of the gradient method and its efficacy is not contested. However, the method describes above allow us to obtain results as good as the gradient method. The basis set generated using the piecewise weight function method for Gaussian type function were used in the Restrict Hartree-Fock (RHF) calculations to obtain the total energies for some atomic electronic systems, such as neutron atoms and

  4. Combining in Theory Building

    Directory of Open Access Journals (Sweden)

    Uolevi Lehtinen

    2013-07-01

    Full Text Available The objectives of this article strive to describe the idea and rationale of combining i.e. why, when and how to develop theoretically new combined approaches. Then business administration, especially marketing is used as a theoretical and empirical illustrative area. Methodology is inductive and deductive logic and in the empirical examples surveys, case analysis and utilization of secondary data. This article introduce a new promising way, in the long run, to develop new comprehensive approaches and even paradigms for different disciplines, subdisciplines and branches of subdiciplines. Therefore, the ultimate message of the article is to challenge the researchers to put the idea and rationale for combing to the test in their own research field and to build new combined and comprehensive approaches if possible in the field. This message is rather multidisciplinary concerning for example economics, social sciences and political sciences in addition to business administration.

  5. Combining Theory of Institutional Logics and Theory of Justification in Understanding Ambiguous Decision Making

    DEFF Research Database (Denmark)

    Westenholz, Ann

    I propose to understand decision making by combining theory of institutional logics (Friedland; Thornton, Ocasio & Lounsbury) and theory of justification (Boltanski and Thévenot). These two theoretical approaches are different but, at the same time, deal with the socially constructed plurality...... companies have located part of their business in Denmark. Finally I conclude and discuss why theory of institutional logics needs theory of justification and vice versa....... of the world nesting a macro-meso-micro level analysis. My argument is that both theories may learn from each other and enrich the study of ambiguous decision making. In the paper I describe, compare and combine the two theoretical approaches. I then illustrate the combined approach by a case where Chinese...

  6. Explaining academic progress via combining concepts of integration theory and rational choice theory

    NARCIS (Netherlands)

    Beekhoven, S.; Jong, U. de; Hout, J.F.M.J. van

    2002-01-01

    In this article, elements of rational choice theory and integration theory are compared on the basis of their explanatory power to explain variance in academic progress. It is argued that both theoretical concepts could be combined. Furthermore the distinction between social and academic integration

  7. Explaining Academic Progress via Combining Concepts of Integration Theory and Rational Choice Theory.

    Science.gov (United States)

    Beekhoven, S.; De Jong, U.; Van Hout, H.

    2002-01-01

    Compared elements of rational choice theory and integration theory on the basis of their power to explain variance in academic progress. Asserts that the concepts should be combined, and the distinction between social and academic integration abandoned. Empirical analysis showed that an extended model, comprising both integration and rational…

  8. Evidence Combination From an Evolutionary Game Theory Perspective.

    Science.gov (United States)

    Deng, Xinyang; Han, Deqiang; Dezert, Jean; Deng, Yong; Shyr, Yu

    2016-09-01

    Dempster-Shafer evidence theory is a primary methodology for multisource information fusion because it is good at dealing with uncertain information. This theory provides a Dempster's rule of combination to synthesize multiple evidences from various information sources. However, in some cases, counter-intuitive results may be obtained based on that combination rule. Numerous new or improved methods have been proposed to suppress these counter-intuitive results based on perspectives, such as minimizing the information loss or deviation. Inspired by evolutionary game theory, this paper considers a biological and evolutionary perspective to study the combination of evidences. An evolutionary combination rule (ECR) is proposed to help find the most biologically supported proposition in a multievidence system. Within the proposed ECR, we develop a Jaccard matrix game to formalize the interaction between propositions in evidences, and utilize the replicator dynamics to mimick the evolution of propositions. Experimental results show that the proposed ECR can effectively suppress the counter-intuitive behaviors appeared in typical paradoxes of evidence theory, compared with many existing methods. Properties of the ECR, such as solution's stability and convergence, have been mathematically proved as well.

  9. Electron affinities: theoretical

    International Nuclear Information System (INIS)

    Kaufman, J.J.

    1976-01-01

    A brief description is given of the conceptual background and formalism of the various ab-initio and semi-ab-initio quantum computational techniques for calculating atomic and molecular electron affinities: Hartree--Fock--Roothaan SCF, configuration interaction (CI), multiconfiguration SCF (MC-SCF), Bethe--Goldstone, superposition of configurations (SOC), ab-initio effective core model potentials, Xα-MS, plus other less common methods. Illustrative and comparative examples of electron affinities calculated by these various methods are presented

  10. An empirical test of combined theory of juvenile delinquency

    Directory of Open Access Journals (Sweden)

    Moshkani Z

    1998-06-01

    Full Text Available Juvenile delinquency is a social problem disturbing families, social institutions and government agencies. Delinquent juveniles lose valuable opportunities concerning their education and occupation. This paper, has undertaken a field research on the causes of delinquency among juveniles arrested in the greater Tehran. The theoretical framework was established by combining the social control theory of Hirschi and the differential association theory of Sutherland and Cressy. The resultant theory made it possible to take account of both internal and external forces leading to delinquency. From 140 boys and 15 girls of under 18 arrested in 1992 in the greater Tehran, ninety boys and all girls were randomly chosen for interview. Four variables showing delinqueint acts and 81 independent variables concerning their personal characteristics, living environment and migrations, family support, beliefs and practices, association with criminals and pass-time activities and hobbies were measured. A factor analysis were applied to reduce the size of data matrix. Thus, one factor was found as a response variable representing the intensity of youth's delinquency. The independent variables were reduced to 28 factors. A multiple regression analysis showed that only 3 factors were enough to explain the intensity of delinquency. Those factors are the "attachment", "beliefs and attitudes" and "association with criminals"

  11. Combined hit theory-microdosimetric explanation of cellular radiobiological action

    International Nuclear Information System (INIS)

    Bond, V.P.; Varma, M.N.

    1983-01-01

    Hit theory is combined with microdosimetry in a stochastic approach that explains the observed responses of cell populations exposed in radiation fields of different qualities. The central thesis is that to expose a population of cells in a low-level radiation field is to subject the cells to the potential for interaction with charged particles in the vicinity of the cells, quantifiable in terms of the charged particle fluence theta. When such an interaction occurs there is a resulting stochastic transfer of energy to a critical volume (CV) of cross section sigma, within the cell(s). The severity of cell injury is dependent on the amount of energy thus imparted, or the hit size. If the severity is above some minimal level, there is a non-zero probability that the injury will result in a quantal effect (e.g., a mutational or carcinogenic initial event, cell transformation). A microdosimetric proportional counter, viewed here as a phantom cell CV that permits measurements not possible in the living cell, is used to determine the incidence of hit cells and the spectrum of hit sizes. Each hit is then weighted on the basis of an empirically-determined function that provides the fraction of cells responding quantally, as a function of hit size. The sum of the hits so weighted provides the incidence of quantally-responding cells, for any amount of exposure theta in a radiation field of any quality or mixture qualities. The hit size weighting function for pink mutations in Tradescantia is discussed, as are its implications in terms of a replacement for RBE and dose equivalent. 14 references, 9 figures

  12. Feasibility of combining linear theory and impact theory methods for the analysis and design of high speed configurations

    Science.gov (United States)

    Brooke, D.; Vondrasek, D. V.

    1978-01-01

    The aerodynamic influence coefficients calculated using an existing linear theory program were used to modify the pressures calculated using impact theory. Application of the combined approach to several wing-alone configurations shows that the combined approach gives improved predictions of the local pressure and loadings over either linear theory alone or impact theory alone. The approach not only removes most of the short-comings of the individual methods, as applied in the Mach 4 to 8 range, but also provides the basis for an inverse design procedure applicable to high speed configurations.

  13. Challenges in combining different data sets during analysis when using grounded theory.

    Science.gov (United States)

    Rintala, Tuula-Maria; Paavilainen, Eija; Astedt-Kurki, Päivi

    2014-05-01

    To describe the challenges in combining two data sets during grounded theory analysis. The use of grounded theory in nursing research is common. It is a suitable method for studying human action and interaction. It is recommended that many alternative sources of data are collected to create as rich a dataset as possible. Data from interviews with people with diabetes (n=19) and their family members (n=19). Combining two data sets. When using grounded theory, there are numerous challenges in collecting and managing data, especially for the novice researcher. One challenge is to combine different data sets during the analysis. There are many methodological textbooks about grounded theory but there is little written in the literature about combining different data sets. Discussion is needed on the management of data and the challenges of grounded theory. This article provides a means for combining different data sets in the grounded theory analysis process.

  14. Human-Agent Decision-making: Combining Theory and Practice

    Directory of Open Access Journals (Sweden)

    Sarit Kraus

    2016-06-01

    Full Text Available Extensive work has been conducted both in game theory and logic to model strategic interaction. An important question is whether we can use these theories to design agents for interacting with people? On the one hand, they provide a formal design specification for agent strategies. On the other hand, people do not necessarily adhere to playing in accordance with these strategies, and their behavior is affected by a multitude of social and psychological factors. In this paper we will consider the question of whether strategies implied by theories of strategic behavior can be used by automated agents that interact proficiently with people. We will focus on automated agents that we built that need to interact with people in two negotiation settings: bargaining and deliberation. For bargaining we will study game-theory based equilibrium agents and for argumentation we will discuss logic-based argumentation theory. We will also consider security games and persuasion games and will discuss the benefits of using equilibrium based agents.

  15. School Psychology Research: Combining Ecological Theory and Prevention Science

    Science.gov (United States)

    Burns, Matthew K.

    2011-01-01

    The current article comments on the importance of theoretical implications within school psychological research, and proposes that ecological theory and prevention science could provide the conceptual framework for school psychology research and practice. Articles published in "School Psychology Review" should at least discuss potential…

  16. Combining theory and experiment in electrocatalysis: Insights into materials design

    DEFF Research Database (Denmark)

    Seh, Zhi Wei; Kibsgaard, Jakob; Dickens, Colin F.

    2017-01-01

    transformations involving water, hydrogen, and oxygen, using theory as a means to rationalize catalyst performance. By examining the common principles that govern catalysis for different electrochemical reactions, we describe a systematic framework that clarifies trends in catalyzing these reactions, serving...... as a guide to new catalyst development while highlighting key gaps that need to be addressed. We conclude by extending this framework to emerging clean energy reactions such as hydrogen peroxide production, carbon dioxide reduction, and nitrogen reduction, where the development of improved catalysts could...

  17. Hegemonic masculinity: combining theory and practice in gender interventions.

    Science.gov (United States)

    Jewkes, Rachel; Morrell, Robert; Hearn, Jeff; Lundqvist, Emma; Blackbeard, David; Lindegger, Graham; Quayle, Michael; Sikweyiya, Yandisa; Gottzén, Lucas

    2015-01-01

    The concept of hegemonic masculinity has been used in gender studies since the early-1980s to explain men's power over women. Stressing the legitimating power of consent (rather than crude physical or political power to ensure submission), it has been used to explain men's health behaviours and the use of violence. Gender activists and others seeking to change men's relations with women have mobilised the concept of hegemonic masculinity in interventions, but the links between gender theory and activism have often not been explored. The translation of 'hegemonic masculinity' into interventions is little examined. We show how, in South Africa and Sweden, the concept has been used to inform theoretically-based gender interventions and to ensure that men are brought into broader social efforts to build gender equity. We discuss the practical translational challenges of using gender theory broadly, and hegemonic masculinity in particular, in a Swedish case study, of the intervention Machofabriken [The Macho Factory], and illustrate how the concept is brought to life in this activist work with men. The concept has considerable practical application in developing a sustainable praxis of theoretically grounded interventions that are more likely to have enduring effect, but evaluating broader societal change in hegemonic masculinity remains an enduring challenge.

  18. Combining theory and experiment in electrocatalysis: Insights into materials design

    International Nuclear Information System (INIS)

    Seh, Zhi Wei; Kibsgaard, Jakob

    2017-01-01

    Electrocatalysis plays a central role in clean energy conversion, enabling a number of sustainable processes for future technologies. This review discusses design strategies for state-of-the-art heterogeneous electrocatalysts and associated materials for several different electrochemical transformations involving water, hydrogen, and oxygen, using theory as a means to rationalize catalyst performance. By examining the common principles that govern catalysis for different electrochemical reactions, we describe a systematic framework that clarifies trends in catalyzing these reactions, serving as a guide to new catalyst development while highlighting key gaps that need to be addressed. Here, we conclude by extending this framework to emerging clean energy reactions such as hydrogen peroxide production, carbon dioxide reduction, and nitrogen reduction, where the development of improved catalysts could allow for the sustainable production of a broad range of fuels and chemicals.

  19. Pitfalls of using the geometric-mean combining rule in the density gradient theory

    DEFF Research Database (Denmark)

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

    2016-01-01

    It is popular and attractive to model the interfacial tension using the density gradient theory with the geometric-mean combining rule, in which the same equation of state is used for the interface and bulk phases. The computational efficiency is the most important advantage of this theory. In th...

  20. Diverse carrier mobility of monolayer BNCx: A combined density functional theory and Boltzmann transport theory study.

    Science.gov (United States)

    Wu, Tao; Deng, Kaiming; Deng, Wei-Qiao; Lu, Ruifeng

    2017-09-19

    BNCX monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNCX (x=1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC2-1 is a material with very small band gap (0.02 eV) among all the structures while other BNCX monolayers are semiconductors with band gap ranging from 0.51 to 1.32 eV. The carrier mobility of BNCX varies considerably from tens to millions of cm2 V-1 s-1. For BNC2-1, the hole mobility and electron mobility along both x and y directions can reach 105 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNCX monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC4, its hole mobility along y direction and electron mobility along x direction unexpectedly reach 106 orders of magnitude, even higher than that of graphene. Our findings suggest that BNCX layered materials with proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices. © 2017 IOP Publishing Ltd.

  1. Literacity: A multimedia adult literacy package combining NASA technology, recursive ID theory, and authentic instruction theory

    Science.gov (United States)

    Willis, Jerry; Willis, Dee Anna; Walsh, Clare; Stephens, Elizabeth; Murphy, Timothy; Price, Jerry; Stevens, William; Jackson, Kevin; Villareal, James A.; Way, Bob

    1994-01-01

    An important part of NASA's mission involves the secondary application of its technologies in the public and private sectors. One current application under development is LiteraCity, a simulation-based instructional package for adults who do not have functional reading skills. Using fuzzy logic routines and other technologies developed by NASA's Information Systems Directorate and hypermedia sound, graphics, and animation technologies the project attempts to overcome the limited impact of adult literacy assessment and instruction by involving the adult in an interactive simulation of real-life literacy activities. The project uses a recursive instructional development model and authentic instruction theory. This paper describes one component of a project to design, develop, and produce a series of computer-based, multimedia instructional packages. The packages are being developed for use in adult literacy programs, particularly in correctional education centers. They use the concepts of authentic instruction and authentic assessment to guide development. All the packages to be developed are instructional simulations. The first is a simulation of 'finding a friend a job.'

  2. Combining theories to reach multi-faceted insights into learning opportunities in doctoral supervision

    DEFF Research Database (Denmark)

    Kobayashi, Sofie; Rump, Camilla Østerberg

    The aim of this paper is to illustrate how theories can be combined to explore opportunities for learning in doctoral supervision. While our earlier research into learning dynamics in doctoral supervision in life science research (Kobayashi, 2014) has focused on illustrating learning opportunitie...

  3. Marx @ 200: Debating Capitalism & Perspectives for the Future of Radical Theory (combined PDF of all articles

    Directory of Open Access Journals (Sweden)

    Christian Fuchs

    2018-05-01

    Full Text Available Combined pdf of all articles published in the special issue "Marx @ 200: Debating Capitalism & Perspectives for the Future of Radical Theory", edited by Christian Fuchs and Lara Monticelli, tripleC: Communication, Capitalism & Critique 16 (2, 2018, pp. 406-741.

  4. Use of combined Hartree–Fock–Roothaan theory in evaluation of ...

    Indian Academy of Sciences (India)

    Keywords. Hartree–Fock–Roothaan equations; noninteger -Slater type orbitals; open shell theory; isoelectronic series. ... with those presented in the literature. The results can be useful in the study of various properties of heavy atomic systems when the combined Hartree–Fock–Roothaan approach is employed.

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

    Science.gov (United States)

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

    2012-09-01

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

  6. Ab initio investigation of inversion in tetrahedral molecules of transition metals

    International Nuclear Information System (INIS)

    Musaev, D.G.; Boldyrev, A.I.

    1984-01-01

    Tetrahedral and plane square configurations of TiH 4 , TiF 4 , molecules and ScH 4 - , ScF 4 - anions are optimized in the frames of Hartree-Fock-Roothaan method with the bases of DZHD and DZRS type. Inversion barriers of tetrahedral molecules through plane sqUare configuration which make up 46; 70; 27 and 39 kcal/mol in TiH 4 , TiF 4 , SoH 4 - and ScF 4 - respectively are estimated. Correlation diagrams under inversion are analyzed

  7. Theoretical investigation of elementary reaction of complexing LiH+BeH/sub 2/. -->. LiBeH/sub 3/

    Energy Technology Data Exchange (ETDEWEB)

    Charkin, O P; Boldyrev, A I; Sukhanov, L P [AN SSSR, Chernogolovka. Inst. Novykh Khimicheskikh Problem

    1979-01-01

    In the framework of non-empirical Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH/sub 2/ ..-->.. LiBeH/sub 3/. Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH/sub 3/ molecule to different dissociation channels and different aspects of structural non-rigidity of the L(MXsub(k+1)) complexes at super barrier excitation are discussed.

  8. Theoretical investigation of elementary reaction of complexing LiH+BeH2 → LiBeH3

    International Nuclear Information System (INIS)

    Charkin, O.P.; Boldyrev, A.I.; Sukhanov, L.P.

    1979-01-01

    In the framework of non-empiric Hartree-Fock-Roothaan method on the basis of gauss functions of Roos and Siegbahn made are calculations of different sections of potential surface elementary reaction of complexing LiH+BeH 2 → LiBeH 3 . Charts of potential surface are presented. Questions of the elementary mechanism of elementary processes of complexing and effect of mutual orientation of the reagents upon the reaction mechanism are considered. Stability of LiBeH 3 molecule to different dissociation channels and different aspects of structural non-rigidity of the L[MXsub(k+1)] complexes at super barrier excitation are discussed

  9. Theory calculation of combination of 'embryo' bubble growing-up visible bubble in bubble chamber

    International Nuclear Information System (INIS)

    Ye Zipiao; Sheng Xiangdong; Dai Changjiang

    2004-01-01

    By aid of island combination theory of 'embryo' bubble, it is resolved well the question which 'embryo' bubble grows up a visible bubble in the bubble chamber. Through theory calculation it is shown that radius of the big' embryo' bubble combinated not only relates with work matter such as surface tension coefficient, saturation vapour pressure and boiling point of liquid, but also does absorbing quantity of heat and the numbers of 'embryo' bubbles combination. It is explained reasonably that the radius of bubbles in bubble chamber is different for the same energies of neutrons and proton. The track of neutron in bubble chamber is long and thin, and the track of proton in bubble chamber is wide and short. It is also explained reasonably that the bubble radius of the incident particles with more charges which there are the same energies will be wider than that of the incident particles with less charges in the track. (author)

  10. Combining symmetry collective states with coupled-cluster theory: Lessons from the Agassi model Hamiltonian

    Science.gov (United States)

    Hermes, Matthew R.; Dukelsky, Jorge; Scuseria, Gustavo E.

    2017-06-01

    The failures of single-reference coupled-cluster theory for strongly correlated many-body systems is flagged at the mean-field level by the spontaneous breaking of one or more physical symmetries of the Hamiltonian. Restoring the symmetry of the mean-field determinant by projection reveals that coupled-cluster theory fails because it factorizes high-order excitation amplitudes incorrectly. However, symmetry-projected mean-field wave functions do not account sufficiently for dynamic (or weak) correlation. Here we pursue a merger of symmetry projection and coupled-cluster theory, following previous work along these lines that utilized the simple Lipkin model system as a test bed [J. Chem. Phys. 146, 054110 (2017), 10.1063/1.4974989]. We generalize the concept of a symmetry-projected mean-field wave function to the concept of a symmetry projected state, in which the factorization of high-order excitation amplitudes in terms of low-order ones is guided by symmetry projection and is not exponential, and combine them with coupled-cluster theory in order to model the ground state of the Agassi Hamiltonian. This model has two separate channels of correlation and two separate physical symmetries which are broken under strong correlation. We show how the combination of symmetry collective states and coupled-cluster theory is effective in obtaining correlation energies and order parameters of the Agassi model throughout its phase diagram.

  11. The combination of system dynamics and game theory in analyzing oligopoly markets

    Directory of Open Access Journals (Sweden)

    Ali Mohammadi

    2016-04-01

    Full Text Available In this paper, we present a hybrid method of game theory and dynamic systems to study the behavior of firms in an oligopoly market. The aim of this study is to build a model for an oligopoly game on the basis of feedback loops and system dynamics approach and to solve the resulted problems under some special conditions where traditional game theory methods are unable to handle. The method includes a combination of qualitative methods including interviews with industry experts to prepare the model and quantitative methods of system dynamics, simulation methodologies and game theory. The results indicate that competitive behavior and the important parameters such as volume of demand, interest rates and price fluctuation will be stabilized after a transition period.

  12. Mechanical system reliability analysis using a combination of graph theory and Boolean function

    International Nuclear Information System (INIS)

    Tang, J.

    2001-01-01

    A new method based on graph theory and Boolean function for assessing reliability of mechanical systems is proposed. The procedure for this approach consists of two parts. By using the graph theory, the formula for the reliability of a mechanical system that considers the interrelations of subsystems or components is generated. Use of the Boolean function to examine the failure interactions of two particular elements of the system, followed with demonstrations of how to incorporate such failure dependencies into the analysis of larger systems, a constructive algorithm for quantifying the genuine interconnections between the subsystems or components is provided. The combination of graph theory and Boolean function provides an effective way to evaluate the reliability of a large, complex mechanical system. A numerical example demonstrates that this method an effective approaches in system reliability analysis

  13. Exploring the Combination of Dempster-Shafer Theory and Neural Network for Predicting Trust and Distrust

    Directory of Open Access Journals (Sweden)

    Xin Wang

    2016-01-01

    Full Text Available In social media, trust and distrust among users are important factors in helping users make decisions, dissect information, and receive recommendations. However, the sparsity and imbalance of social relations bring great difficulties and challenges in predicting trust and distrust. Meanwhile, there are numerous inducing factors to determine trust and distrust relations. The relationship among inducing factors may be dependency, independence, and conflicting. Dempster-Shafer theory and neural network are effective and efficient strategies to deal with these difficulties and challenges. In this paper, we study trust and distrust prediction based on the combination of Dempster-Shafer theory and neural network. We firstly analyze the inducing factors about trust and distrust, namely, homophily, status theory, and emotion tendency. Then, we quantify inducing factors of trust and distrust, take these features as evidences, and construct evidence prototype as input nodes of multilayer neural network. Finally, we propose a framework of predicting trust and distrust which uses multilayer neural network to model the implementing process of Dempster-Shafer theory in different hidden layers, aiming to overcome the disadvantage of Dempster-Shafer theory without optimization method. Experimental results on a real-world dataset demonstrate the effectiveness of the proposed framework.

  14. A combination of differential method and perturbation theory for the calculation of sensitivity coefficients

    International Nuclear Information System (INIS)

    Santos, Adimir dos; Borges, A.A.

    2000-01-01

    A new method for the calculation of sensitivity coefficients is developed. The new method is a combination of two methodologies used for calculating these coefficients, which are the differential and the generalized perturbation theory methods. The proposed method utilizes as integral parameter the average flux in an arbitrary region of the system. Thus, the sensitivity coefficient contains only the component corresponding to the neutron flux. To obtain the new sensitivity coefficient, the derivates of the integral parameter, φ(ξ), with respect to σ are calculated using the perturbation method and the functional derivates of this generic integral parameter with respect to σ and φ are calculated using the differential method. The new method merges the advantages of the differential and generalized perturbation theory methods and eliminates their disadvantages. (author)

  15. Critical Combinations of Higher-Order Terms in Einstein-Maxwell Theory and Compactification

    Directory of Open Access Journals (Sweden)

    Nahomi Kan

    2015-01-01

    Full Text Available We discuss the role of a particular combination of higher derivative terms in higher dimensional theories, particularly in the background of spontaneous compactification. Two classes of theories are proposed in this paper. The first model as a generalization of the critical gravity with the Maxwell field could have a de Sitter solution. We consider the Lanczos-Lovelock term and Horndeski term as well as the higher-order Maxwell term for the second model, which contains a possible longer expansion time for the inflationary phase. It is interesting that both models can be regarded as the generalization of the Randjbar-Daemi, Salam and Strathdee (RSS model and give the well behavior for inflation stage under the specific assumptions.

  16. Analysing collaboration among HIV agencies through combining network theory and relational coordination.

    Science.gov (United States)

    Khosla, Nidhi; Marsteller, Jill Ann; Hsu, Yea Jen; Elliott, David L

    2016-02-01

    Agencies with different foci (e.g. nutrition, social, medical, housing) serve people living with HIV (PLHIV). Serving needs of PLHIV comprehensively requires a high degree of coordination among agencies which often benefits from more frequent communication. We combined Social Network theory and Relational Coordination theory to study coordination among HIV agencies in Baltimore. Social Network theory implies that actors (e.g., HIV agencies) establish linkages amongst themselves in order to access resources (e.g., information). Relational Coordination theory suggests that high quality coordination among agencies or teams relies on the seven dimensions of frequency, timeliness and accuracy of communication, problem-solving communication, knowledge of agencies' work, mutual respect and shared goals. We collected data on frequency of contact from 57 agencies using a roster method. Response options were ordinal ranging from 'not at all' to 'daily'. We analyzed data using social network measures. Next, we selected agencies with which at least one-third of the sample reported monthly or more frequent interaction. This yielded 11 agencies whom we surveyed on seven relational coordination dimensions with questions scored on a Likert scale of 1-5. Network density, defined as the proportion of existing connections to all possible connections, was 20% when considering monthly or higher interaction. Relational coordination scores from individual agencies to others ranged between 1.17 and 5.00 (maximum possible score 5). The average scores for different dimensions across all agencies ranged between 3.30 and 4.00. Shared goals (4.00) and mutual respect (3.91) scores were highest, while scores such as knowledge of each other's work and problem-solving communication were relatively lower. Combining theoretically driven analyses in this manner offers an innovative way to provide a comprehensive picture of inter-agency coordination and the quality of exchange that underlies

  17. A combination between the differential and the perturbation theory methods for calculating sensitivity coefficients

    International Nuclear Information System (INIS)

    Borges, Antonio Andrade

    1998-01-01

    A new method for the calculation of sensitivity coefficients is developed. The new method is a combination of two methodologies used for calculating theses coefficients, which are the differential and the generalized perturbation theory methods. The method utilizes as integral parameter the average flux in an arbitrary region of the system. Thus, the sensitivity coefficient contains only the component corresponding to the neutron flux. To obtain the new sensitivity coefficient, the derivatives of the integral parameter, Φ, with respect to σ are calculated using the perturbation method and the functional derivatives of this generic integral parameter with respect to σ and Φ are calculated using the differential method. (author)

  18. An alternative design method for the double-layer combined die using autofrettage theory

    Directory of Open Access Journals (Sweden)

    C. Hu

    2017-08-01

    Full Text Available The double-layer combined die is used for its longer life in forging. Autofrettage is a well-known elastic–plastic technology that increases the durability of thick-walled cylinders. This study explores an alternative design method of the double-layer combined die using autofrettage theory. An analytical solution for the autofrettage process of the double-layer combined die is obtained based on Lamé's equation. The relationship between the autofrettage pressure and the yield radius of the die insert is obtained, and expressions of residual stresses and displacements, which are directly related to geometric parameters, material properties and internal pressure, are derived. The finite-element simulation of a specific case is performed, and good agreement between theoretical calculations and simulation results is found. Furthermore, the effects of important parameters, including the ratio of the plastic area and yield strength of the die insert and the outer diameters of the die insert and stress ring, on the autofrettage effect are investigated. Compared with the conventional combined die, the autofrettaged die can bear larger working pressure, as expected. The use of the autofrettaged die can reduce the amount of expensive material required for the die insert and the working space of the die set, which would benefit the practical forging process.

  19. A multimedia adult literacy program: Combining NASA technology, instructional design theory, and authentic literacy concepts

    Science.gov (United States)

    Willis, Jerry W.

    1993-01-01

    For a number of years, the Software Technology Branch of the Information Systems Directorate has been involved in the application of cutting edge hardware and software technologies to instructional tasks related to NASA projects. The branch has developed intelligent computer aided training shells, instructional applications of virtual reality and multimedia, and computer-based instructional packages that use fuzzy logic for both instructional and diagnostic decision making. One outcome of the work on space-related technology-supported instruction has been the creation of a significant pool of human talent in the branch with current expertise on the cutting edges of instructional technologies. When the human talent is combined with advanced technologies for graphics, sound, video, CD-ROM, and high speed computing, the result is a powerful research and development group that both contributes to the applied foundations of instructional technology and creates effective instructional packages that take advantage of a range of advanced technologies. Several branch projects are currently underway that combine NASA-developed expertise to significant instructional problems in public education. The branch, for example, has developed intelligent computer aided software to help high school students learn physics and staff are currently working on a project to produce educational software for young children with language deficits. This report deals with another project, the adult literacy tutor. Unfortunately, while there are a number of computer-based instructional packages available for adult literacy instruction, most of them are based on the same instructional models that failed these students when they were in school. The teacher-centered, discrete skill and drill-oriented, instructional strategies, even when they are supported by color computer graphics and animation, that form the foundation for most of the computer-based literacy packages currently on the market may not

  20. Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis.

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Li, Yimin

    2009-11-21

    Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surface-sensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

  1. Combining motivational and volitional interventions to promote exercise participation: protection motivation theory and implementation intentions.

    Science.gov (United States)

    Milne, Sarah; Orbell, Sheina; Sheeran, Paschal

    2002-05-01

    This study compared a motivational intervention based on protection motivation theory (PMT, Rogers, 1975, 1983) with the same motivational intervention augmented by a volitional intervention based on implementation intentions (Gollwitzer, 1993). The study had a longitudinal design, involving three waves of data collection over a 2-week period, incorporating an experimental manipulation of PMT variables at Time 1 and a volitional, implementation intention intervention at Time 2. Participants (N=248) were randomly allocated to a control group or one of two intervention groups. Cognitions and exercise behaviour were measured at three time-points over a 2-week period. The motivational intervention significantly increased threat and coping appraisal and intentions to engage in exercise but did not bring about a significant increase in subsequent exercise behaviour. In contrast, the combined protection motivation theory/implementation intention intervention had a dramatic effect on subsequent exercise behaviour. This volitional intervention did not influence behavioural intention or any other motivational variables. It is concluded that supplementing PMT with implementation intentions strengthens the ability of the model to explain behaviour. This has implications for health education programmes, which should aim to increase both participants' motivation and their volition.

  2. Capital Structure Analysis Of EBX Group’s Companies: Combining Theory And Practice

    Directory of Open Access Journals (Sweden)

    Matheus da Costa Gomes

    2017-12-01

    Full Text Available According to market timing theory, companies tend to issue stocks or debts in order to exploit the opportunity window and this behavior is a significant determinant for capital structure. Based on this assertion and recent evidence found in the Brazilian market, this paper has the objective of analyzing the market timing behavior of the six publicly-traded companies in BM&FBOVESPA of the EBX Group (MPX, MMX, OXX, LLX, OSX and CCX, until mid-2013. For this purpose, the methodology used was a case study and as the main source of evidence indicators related to capital structure and stock market. An econometric approach to panel data has also been inserted to strengthen analyzes. The results show that the financial decisions made by managers of the EBX Group indicate attempts to exploit the opportunity windows related to the stock market, mainly measured by Shiller's price-to-earnings ratio (Shiller PE, an aggregate market index, as well as the market-to-book (M/B ratio of each company analyzed. This paper contributes to the discussion of market timing in Brazil, combining theory and practice in an intuitive and dynamic way bringing aspects related to companies and market conditions.

  3. Combining morphometric evidence from multiple registration methods using dempster-shafer theory

    Science.gov (United States)

    Rajagopalan, Vidya; Wyatt, Christopher

    2010-03-01

    In tensor-based morphometry (TBM) group-wise differences in brain structure are measured using high degreeof- freedom registration and some form of statistical test. However, it is known that TBM results are sensitive to both the registration method and statistical test used. Given the lack of an objective model of group variation is it difficult to determine a best registration method for TBM. The use of statistical tests is also problematic given the corrections required for multiple testing and the notorius difficulty selecting and intepreting signigance values. This paper presents an approach to address both of these issues by combining multiple registration methods using Dempster-Shafer Evidence theory to produce belief maps of categorical changes between groups. This approach is applied to the comparison brain morphometry in aging, a typical application of TBM, using the determinant of the Jacobian as a measure of volume change. We show that the Dempster-Shafer combination produces a unique and easy to interpret belief map of regional changes between and within groups without the complications associated with hypothesis testing.

  4. Characterizing representational learning: A combined simulation and tutorial on perturbation theory

    Directory of Open Access Journals (Sweden)

    Antje Kohnle

    2017-11-01

    Full Text Available Analyzing, constructing, and translating between graphical, pictorial, and mathematical representations of physics ideas and reasoning flexibly through them (“representational competence” is a key characteristic of expertise in physics but is a challenge for learners to develop. Interactive computer simulations and University of Washington style tutorials both have affordances to support representational learning. This article describes work to characterize students’ spontaneous use of representations before and after working with a combined simulation and tutorial on first-order energy corrections in the context of quantum-mechanical time-independent perturbation theory. Data were collected from two institutions using pre-, mid-, and post-tests to assess short- and long-term gains. A representational competence level framework was adapted to devise level descriptors for the assessment items. The results indicate an increase in the number of representations used by students and the consistency between them following the combined simulation tutorial. The distributions of representational competence levels suggest a shift from perceptual to semantic use of representations based on their underlying meaning. In terms of activity design, this study illustrates the need to support students in making sense of the representations shown in a simulation and in learning to choose the most appropriate representation for a given task. In terms of characterizing representational abilities, this study illustrates the usefulness of a framework focusing on perceptual, syntactic, and semantic use of representations.

  5. Characterizing representational learning: A combined simulation and tutorial on perturbation theory

    Science.gov (United States)

    Kohnle, Antje; Passante, Gina

    2017-12-01

    Analyzing, constructing, and translating between graphical, pictorial, and mathematical representations of physics ideas and reasoning flexibly through them ("representational competence") is a key characteristic of expertise in physics but is a challenge for learners to develop. Interactive computer simulations and University of Washington style tutorials both have affordances to support representational learning. This article describes work to characterize students' spontaneous use of representations before and after working with a combined simulation and tutorial on first-order energy corrections in the context of quantum-mechanical time-independent perturbation theory. Data were collected from two institutions using pre-, mid-, and post-tests to assess short- and long-term gains. A representational competence level framework was adapted to devise level descriptors for the assessment items. The results indicate an increase in the number of representations used by students and the consistency between them following the combined simulation tutorial. The distributions of representational competence levels suggest a shift from perceptual to semantic use of representations based on their underlying meaning. In terms of activity design, this study illustrates the need to support students in making sense of the representations shown in a simulation and in learning to choose the most appropriate representation for a given task. In terms of characterizing representational abilities, this study illustrates the usefulness of a framework focusing on perceptual, syntactic, and semantic use of representations.

  6. Using the Theory of Combined Friction when Making Mathematical Models of Curvilinear Motion of Tracked Vehicles

    Directory of Open Access Journals (Sweden)

    M. V. Vyaznikov

    2014-01-01

    Full Text Available The paper presents study results of the nonlinear interaction processes between the supporting surface of the track Assembly and the ground in the contact patch, using the mathematical models of friction. For the case blaskapelle motion of a caterpillar, when the resultant of the elementary friction forces is limited by the coupling due to the sliding tracks on the ground, it appears that the increase of the lateral component leads to a decrease of the longitudinal component and the change of direction of the resulting force. As a result, with increasing angular velocity of the tracked vehicle a longitudinal component of the friction force decreases, which is the geometric factor and is defined by the locus of friction for a given type of soil. In the development of this well-known model is considered the general case of friction, which describes the effect of reducing the coefficient of friction in the contact patch at increasing the angular velocity of rotation. To describe this process is used the model of the combined friction which occurs when the surface of the body is doing at the same time the rotational and translational motion. The resulting expression for the resultant of forces of friction and the moment of resistance to rotation based on the decomposition of the first order Pade for a flat spot track Assembly with ground of rectangular shape. With combined friction any arbitrarily small perturbation force acting parallel to the surface of the contact spot, leads to slip. The paper considers the possibility of using the model of the combined friction to research a sustainability curvilinear motion of tracked vehicles. The proposed motion of the machine in the mode of skidding on the basis of the frictionslip. The interpretation of the physical processes occurring in the contact area, on the basis of the theory of the combined friction would allow using this mathematical model in the algorithm structure of automatic traffic control

  7. Innovation in healthcare services – creating a Combined Contingency Theory and Ecosystems Approach

    Science.gov (United States)

    Engelseth, Per; Kritchanchai, Duangpun

    2018-04-01

    The purpose of this conceptual paper is to develop an analytical framework used for process development in healthcare services. Healthcare services imply a form of operations management demanding an adapted research approach. This study therefore highlights first in the introduction challenges of healthcare services as a reasoning of this study. It is a type of service that has high societal and therefore ethical concern, but at the same time needs to be carried out efficiently to economise service production resource use. Combined business and ethics concerns need to be balanced in this service supply system. In the literature review that is the bulk of this paper, first, particularities of the service industry processes are considered. This is followed by considering literature on contingency theory to consider the nature of the supply chain context of the healthcare service processes highlighting interdependencies and appropriate technology use. This developed view is then expanded to consider an ecosystems approach to encompass the environment expanding analyses to considering in balanced manner features of business, society and nature. A research model for directing both further researches on the healthcare service industry an innovation of such services in practice is introduced.

  8. Exploring the chemical kinetics of partially oxidized intermediates by combining experiments, theory, and kinetic modeling.

    Science.gov (United States)

    Hoyermann, Karlheinz; Mauß, Fabian; Olzmann, Matthias; Welz, Oliver; Zeuch, Thomas

    2017-07-19

    Partially oxidized intermediates play a central role in combustion and atmospheric chemistry. In this perspective, we focus on the chemical kinetics of alkoxy radicals, peroxy radicals, and Criegee intermediates, which are key species in both combustion and atmospheric environments. These reactive intermediates feature a broad spectrum of chemical diversity. Their reactivity is central to our understanding of how volatile organic compounds are degraded in the atmosphere and converted into secondary organic aerosol. Moreover, they sensitively determine ignition timing in internal combustion engines. The intention of this perspective article is to provide the reader with information about the general mechanisms of reactions initiated by addition of atomic and molecular oxygen to alkyl radicals and ozone to alkenes. We will focus on critical branching points in the subsequent reaction mechanisms and discuss them from a consistent point of view. As a first example of our integrated approach, we will show how experiment, theory, and kinetic modeling have been successfully combined in the first infrared detection of Criegee intermediates during the gas phase ozonolysis. As a second example, we will examine the ignition timing of n-heptane/air mixtures at low and intermediate temperatures. Here, we present a reduced, fuel size independent kinetic model of the complex chemistry initiated by peroxy radicals that has been successfully applied to simulate standard n-heptane combustion experiments.

  9. Combined Molecular Dynamics Simulation-Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions.

    Science.gov (United States)

    Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben

    2017-08-22

    A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.

  10. Analyzing Spatial Behavior of Backcountry Skiers in Mountain Protected Areas Combining GPS Tracking and Graph Theory

    Directory of Open Access Journals (Sweden)

    Karolina Taczanowska

    2017-12-01

    Full Text Available Mountain protected areas (PAs aim to preserve vulnerable environments and at the same time encourage numerous outdoor leisure activities. Understanding the way people use natural environments is crucial to balance the needs of visitors and site capacities. This study aims to develop an approach to evaluate the structure and use of designated skiing zones in PAs combining Global Positioning System (GPS tracking and analytical methods based on graph theory. The study is based on empirical data (n = 609 GPS tracks of backcountry skiers collected in Tatra National Park (TNP, Poland. The physical structure of the entire skiing zones system has been simplified into a graph structure (structural network; undirected graph. In a second step, the actual use of the area by skiers (functional network; directed graph was analyzed using a graph-theoretic approach. Network coherence (connectivity indices: β, γ, α, movement directions at path segments, and relative importance of network nodes (node centrality measures: degree, betweenness, closeness, and proximity prestige were calculated. The system of designated backcountry skiing zones was not evenly used by the visitors. Therefore, the calculated parameters differ significantly between the structural and the functional network. In particular, measures related to the actually used trails are of high importance from the management point of view. Information about the most important node locations can be used for planning sign-posts, on-site maps, interpretative boards, or other tourist infrastructure.

  11. Combining the multilevel fast multipole method with the uniform geometrical theory of diffraction

    Directory of Open Access Journals (Sweden)

    A. Tzoulis

    2005-01-01

    Full Text Available The presence of arbitrarily shaped and electrically large objects in the same environment leads to hybridization of the Method of Moments (MoM with the Uniform Geometrical Theory of Diffraction (UTD. The computation and memory complexity of the MoM solution is improved with the Multilevel Fast Multipole Method (MLFMM. By expanding the k-space integrals in spherical harmonics, further considerable amount of memory can be saved without compromising accuracy and numerical speed. However, until now MoM-UTD hybrid methods are restricted to conventional MoM formulations only with Electric Field Integral Equation (EFIE. In this contribution, a MLFMM-UTD hybridization for Combined Field Integral Equation (CFIE is proposed and applied within a hybrid Finite Element - Boundary Integral (FEBI technique. The MLFMM-UTD hybridization is performed at the translation procedure on the various levels of the MLFMM, using a far-field approximation of the corresponding translation operator. The formulation of this new hybrid technique is presented, as well as numerical results.

  12. Economic theory and nursing administration research--is this a good combination?

    Science.gov (United States)

    Jones, Terry L; Yoder, Linda

    2010-01-01

    Economic theory is used to describe and explain decision making in the context of scarce resources. This paper presents two applications of economic theory to the delivery of nursing services in acute care hospitals and evaluates its usefulness in guiding nursing administration research. The description of economic theory and the proposed applications for nursing are based on current nursing, healthcare, and economic literature. Evaluation of the potential usefulness of economic theory in guiding nursing administration research is based on the criteria of significance and testability as described by Fawcett and Downs. While economic theory can be very useful in explaining how decisions about nursing time allocation and nursing care production are made, it will not address the issue of how they should be made. Normative theories and ethical frameworks also must be incorporated in the decision-making process around these issues. Economic theory and nursing administration are a good fit when balanced with the values and goals of nursing.

  13. A combined hit theory-microdosimetric explanation of cellular radiobiological action

    International Nuclear Information System (INIS)

    Bond, V.P.; Varma, M.N.

    1983-01-01

    Hit theory is combined with microdosimetry in a stochastic approach that explains the observed responses of cell populations exposed in radiation fields of different qualities. The central thesis is that to expose a population of cells in a low-level radiation field is to subject the cells to the potential for interaction with charged particles, quantifiable in terms of the charged particle fluence PHI. When such an interaction occurs there is resulting stochastic transfer of energy to a critical volume (CV) of cross-section σ within the cell(s). The severity of cell injury is dependent on the amount of energy thus imparted, or the hit size. If the severity is above some minimal level, there is a non-zero probability that the injury will result in a quantal effect (e.g., a mutational or carcinogenic initial event, cell transformation). A microdosimetric proportional counter, viewed here as a phantom cell CV that permits measurements not possible in the living cell, is used to determine the incidence of hit cells and the spectrum of hit sizes. Each hit is then weighted on the basis of an empirically determined function that provides the fraction of cells responding quantally, as a function of hit size. The sum of the hits so weighted provides the incidence of quantally responding cells, for any amount of exposure PHI in a radiation field of any quality or mixture of qualities. The hit size weighting function for pink mutations in Tradescantia is discussed, as are its implications in terms of a replacement for relative biological effectiveness and dose equivalent. (author)

  14. Diverse carrier mobility of monolayer BNC x : a combined density functional theory and Boltzmann transport theory study.

    Science.gov (United States)

    Wu, Tao; Deng, Kaiming; Deng, Weiqiao; Lu, Ruifeng

    2017-10-19

    BNC x monolayer as a kind of two-dimensional material has numerous chemical atomic ratios and arrangements with different electronic structures. Via calculations on the basis of density functional theory and Boltzmann transport theory under deformation potential approximation, the band structures and carrier mobilities of BNC x (x  =  1,2,3,4) nanosheets are systematically investigated. The calculated results show that BNC 2 -1 is a material with very small band gap (0.02 eV) among all the structures while other BNC x monolayers are semiconductors with band gap ranging from 0.51 eV to 1.32 eV. The carrier mobility of BNC x varies considerably from tens to millions of cm 2 V -1 s -1 . For BNC 2 -1, the hole mobility and electron mobility along both x and y directions can reach 10 5 orders of magnitude, which is similar to the carrier mobility of graphene. Besides, all studied BNC x monolayers obviously have anisotropic hole mobility and electron mobility. In particular, for semiconductor BNC 4 , its hole mobility along the y direction and electron mobility along the x direction unexpectedly reach 10 6 orders of magnitude, even higher than that of graphene. Our findings suggest that BNC x layered materials with the proper ratio and arrangement of carbon atoms will possess desirable charge transport properties, exhibiting potential applications in nanoelectronic devices.

  15. Physicians' intention to prescribe hydrocodone combination products after rescheduling: A theory of reasoned action approach.

    Science.gov (United States)

    Fleming, Marc L; Driver, Larry; Sansgiry, Sujit S; Abughosh, Susan M; Wanat, Matthew; Sawant, Ruta V; Ferries, Erin; Reeve, Kathleen; Todd, Knox H

    The U.S. Drug Enforcement Administration (DEA) rescheduled hydrocodone combination products (HCPs) in an attempt to mitigate the prescription opioid epidemic. Many in the medical and pharmacy community expressed concerns of unintended consequences as a result of rescheduling. This study examined physicians' intentions to prescribe HCPs after rescheduling using the framework of the theory of reasoned action (TRA). A cover letter containing a link to the online questionnaire was sent to physicians of the Texas Medical Association who were likely to prescribe opioids. The questionnaire assessed physicians' intentions to prescribe HCPs after rescheduling. Predictor variables included attitude toward rescheduling, subjective norm toward HCP prescribing, and past prescribing behavior of schedule II prescriptions. All variables were measured on a 7-point, Likert-type scale. Intention to prescribe as a dependent variable was regressed over TRA variables and respondent characteristics. A total of 1176 usable responses were obtained, yielding a response rate of 13.3%. Mean (M) age was 53.07 ± 11 and most respondents were male (70%) and Caucasian (75%). Physicians held a moderately positive intention to prescribe HCPs (M = 4.36 ± 2.08), held a moderately negative attitude towards rescheduling, M = 4.68 ± 1.51 (reverse coded). Subjective norm was moderately low, M = 3.06 ± 1.78, and past prescribing behavior M = 2.43 ± 1.21. The linear regression analysis indicated that attitude (β = 0.10; P = 0.006), subjective norm (β = 0.35; P < 0.0001) and past prescribing behavior (β = 0.59; P < 0.0001) were significant predictors of intention to prescribe HCPs after rescheduling. TRA was shown to be a predictive model of physicians' intentions to prescribe HCPs after rescheduling. Overall, physicians held a moderately positive intention to prescribe HCPs. Past behavior concerning schedule II prescribing was found to be the most significant predictor

  16. Predictions of new AB O3 perovskite compounds by combining machine learning and density functional theory

    Science.gov (United States)

    Balachandran, Prasanna V.; Emery, Antoine A.; Gubernatis, James E.; Lookman, Turab; Wolverton, Chris; Zunger, Alex

    2018-04-01

    We apply machine learning (ML) methods to a database of 390 experimentally reported A B O3 compounds to construct two statistical models that predict possible new perovskite materials and possible new cubic perovskites. The first ML model classified the 390 compounds into 254 perovskites and 136 that are not perovskites with a 90% average cross-validation (CV) accuracy; the second ML model further classified the perovskites into 22 known cubic perovskites and 232 known noncubic perovskites with a 94% average CV accuracy. We find that the most effective chemical descriptors affecting our classification include largely geometric constructs such as the A and B Shannon ionic radii, the tolerance and octahedral factors, the A -O and B -O bond length, and the A and B Villars' Mendeleev numbers. We then construct an additional list of 625 A B O3 compounds assembled from charge conserving combinations of A and B atoms absent from our list of known compounds. Then, using the two ML models constructed on the known compounds, we predict that 235 of the 625 exist in a perovskite structure with a confidence greater than 50% and among them that 20 exist in the cubic structure (albeit, the latter with only ˜50 % confidence). We find that the new perovskites are most likely to occur when the A and B atoms are a lanthanide or actinide, when the A atom is an alkali, alkali earth, or late transition metal atom, or when the B atom is a p -block atom. We also compare the ML findings with the density functional theory calculations and convex hull analyses in the Open Quantum Materials Database (OQMD), which predicts the T =0 K ground-state stability of all the A B O3 compounds. We find that OQMD predicts 186 of 254 of the perovskites in the experimental database to be thermodynamically stable within 100 meV/atom of the convex hull and predicts 87 of the 235 ML-predicted perovskite compounds to be thermodynamically stable within 100 meV/atom of the convex hull, including 6 of these to

  17. Homogeneous droplet nucleation modeled using the gradient theory combined with the PC-SAFT equation of state

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2013-04-01

    Full Text Available In this work, we used the density gradient theory (DGT combined with the cubic equation of state (EoS by Peng and Robinson (PR and the perturbed chain (PC modification of the SAFT EoS developed by Gross and Sadowski [1]. The PR EoS is based on very simplified physical foundations, it has significant limitations in the accuracy of the predicted thermodynamic properties. On the other hand, the PC-SAFT EoS combines different intermolecular forces, e.g., hydrogen bonding, covalent bonding, Coulombic forces which makes it more accurate in predicting of the physical variables. We continued in our previous works [2,3] by solving the boundary value problem which arose by mathematical solution of the DGT formulation and including the boundary conditions. Achieving the numerical solution was rather tricky; this study describes some of the crucial developments that helped us to overcome the partial problems. The most troublesome were computations for low temperatures where we achieved great improvements compared to [3]. We applied the GT for the n-alkanes: nheptane, n-octane, n-nonane, and n-decane because of the availability of the experimental data. Comparing them with our numerical results, we observed great differences between the theories; the best results gave the combination of the GT and the PC-SAFT. However, a certain temperature drift was observed that is not satisfactorily explained by the present theories.

  18. Conceptualizing patient empowerment in cancer follow-up by combining theory and qualitative data

    DEFF Research Database (Denmark)

    Johnsen, Anna Thit; Eskildsen, Nanna Bjerg; Thomsen, Thora Grothe

    2017-01-01

    and sensitive questionnaire for this population. Material and Methods: A theoretical model of PE was made, based on Zimmerman’s theory of psychological empowerment. Patients who were in follow-up after first line treatment for their cancer (n = 16) were interviewed about their experiences with follow...

  19. Use of combined Hartree–Fock–Roothaan theory in evaluation of ...

    Indian Academy of Sciences (India)

    3d. 1 and Cr. +. [Ar]4s. 0. 3d. 5 configurations using NISTO in the CHFR method. To demonstrate the efficiency of NISTO, all the calculations were performed within the minimal basis-sets framework. The computational method is described in the next section. Hartree atomic units are used throughout this work. 2. Theory and ...

  20. Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation

    Science.gov (United States)

    Sison Escaño, Mary Clare; Lacdao Arevalo, Ryan; Gyenge, Elod; Kasai, Hideaki

    2014-09-01

    The electrocatalysis of borohydride oxidation is a complex, up-to-eight-electron transfer process, which is essential for development of efficient direct borohydride fuel cells. Here we review the progress achieved by density functional theory (DFT) calculations in explaining the adsorption of BH4- on various catalyst surfaces, with implications for electrocatalyst screening and selection. Wherever possible, we correlate the theoretical predictions with experimental findings, in order to validate the proposed models and to identify potential directions for further advancements.

  1. An optimization method for gas refrigeration cycle based on the combination of both thermodynamics and entransy theory

    International Nuclear Information System (INIS)

    Chen, Qun; Xu, Yun-Chao; Hao, Jun-Hong

    2014-01-01

    Highlights: • An optimization method for practical thermodynamic cycle is developed. • The entransy-based heat transfer analysis and thermodynamic analysis are combined. • Theoretical relation between system requirements and design parameters is derived. • The optimization problem can be converted into conditional extremum problem. • The proposed method provides several useful optimization criteria. - Abstract: A thermodynamic cycle usually consists of heat transfer processes in heat exchangers and heat-work conversion processes in compressors, expanders and/or turbines. This paper presents a new optimization method for effective improvement of thermodynamic cycle performance with the combination of entransy theory and thermodynamics. The heat transfer processes in a gas refrigeration cycle are analyzed by entransy theory and the heat-work conversion processes are analyzed by thermodynamics. The combination of these two analysis yields a mathematical relation directly connecting system requirements, e.g. cooling capacity rate and power consumption rate, with design parameters, e.g. heat transfer area of each heat exchanger and heat capacity rate of each working fluid, without introducing any intermediate variable. Based on this relation together with the conditional extremum method, we theoretically derive an optimization equation group. Simultaneously solving this equation group offers the optimal structural and operating parameters for every single gas refrigeration cycle and furthermore provides several useful optimization criteria for all the cycles. Finally, a practical gas refrigeration cycle is taken as an example to show the application and validity of the newly proposed optimization method

  2. Electrocatalysis of borohydride oxidation: a review of density functional theory approach combined with experimental validation

    International Nuclear Information System (INIS)

    Sison Escaño, Mary Clare; Arevalo, Ryan Lacdao; Kasai, Hideaki; Gyenge, Elod

    2014-01-01

    The electrocatalysis of borohydride oxidation is a complex, up-to-eight-electron transfer process, which is essential for development of efficient direct borohydride fuel cells. Here we review the progress achieved by density functional theory (DFT) calculations in explaining the adsorption of BH 4 − on various catalyst surfaces, with implications for electrocatalyst screening and selection. Wherever possible, we correlate the theoretical predictions with experimental findings, in order to validate the proposed models and to identify potential directions for further advancements. (topical review)

  3. Richard Rufus's theory of mixture: a medieval explanation of chemical combination.

    Science.gov (United States)

    Weisberg, Michael; Wood, Rega

    2003-05-01

    Richard Rufus of Cornwall offered a novel solution to the problem of mixture raised by Aristotle. The puzzle is that mixts or mixed bodies (blood, flesh, wood, etc.) seem to be unexplainable through logic, even though the world is full of them. Rufus's contribution to this long-standing theoretical debate is the development of a modal interpretation of certain Averroistic doctrines. Rufus's account, which posits that the elemental forms in a mixt are in accidental potential, avoids many of the problems that plagued non-atomistic medieval theories of mixture. This paper is an initial examination of Rufus' account.

  4. Cyanide adsorption on gold electrodes : a combined surface enhanced Raman spectroscopy and density functional theory study

    NARCIS (Netherlands)

    Beltramo, G.L.; Shubina, T.E.; Mitchell, S.J.; Koper, M.T.M.

    2004-01-01

    A combined SERS and DFT study of cyanide adsorption on a gold electrode is presented. From our analysis, the high-frequency mode at 2100 cm-1 is ascribed to the C–N stretching frequency at (1 0 0) and (1 1 0) sites. The lower frequency modes at 370 and 300 cm-1 are ascribed to the Au–CN stretching

  5. Combining theory and observations. A sample study of the interplay between cosmology and particle physics

    International Nuclear Information System (INIS)

    Kulkarni, Suchita C.

    2011-01-01

    We look at various methods of exploring the connection between particle physics and cosmology. We focus on various aspects of dark matter analysis. We begin with the smallest scales and look at collider phenomenology first. We discuss how the analysis of CP-properties of particles within Supersymmetry, one of the most accepted theories giving us a dark matter candidate. For this matter we take a specific case of the CP-violation in the super-partner of the tau lepton, the stau. Going slightly more towards astroparticle physics, we next study can the dark matter in the Universe be semi-relativistic. Thus, we use our prior knowledge of the cosmic scale properties of dark matter to draw implications for particle physics. In the next step, we look at large scales and examine the evolution of relationship between dark matter haloes and the background dark matter density fields. We use methods similar to field theory techniques of particle physics to understand this evolution of mapping. (orig.)

  6. Combining theory and observations. A sample study of the interplay between cosmology and particle physics

    Energy Technology Data Exchange (ETDEWEB)

    Kulkarni, Suchita C.

    2011-08-08

    We look at various methods of exploring the connection between particle physics and cosmology. We focus on various aspects of dark matter analysis. We begin with the smallest scales and look at collider phenomenology first. We discuss how the analysis of CP-properties of particles within Supersymmetry, one of the most accepted theories giving us a dark matter candidate. For this matter we take a specific case of the CP-violation in the super-partner of the tau lepton, the stau. Going slightly more towards astroparticle physics, we next study can the dark matter in the Universe be semi-relativistic. Thus, we use our prior knowledge of the cosmic scale properties of dark matter to draw implications for particle physics. In the next step, we look at large scales and examine the evolution of relationship between dark matter haloes and the background dark matter density fields. We use methods similar to field theory techniques of particle physics to understand this evolution of mapping. (orig.)

  7. Note: Determination of torsional spring constant of atomic force microscopy cantilevers: Combining normal spring constant and classical beam theory

    DEFF Research Database (Denmark)

    Álvarez-Asencio, R.; Thormann, Esben; Rutland, M.W.

    2013-01-01

    A technique has been developed for the calculation of torsional spring constants for AFM cantilevers based on the combination of the normal spring constant and plate/beam theory. It is easy to apply and allow the determination of torsional constants for stiff cantilevers where the thermal power s...... spectrum is difficult to obtain due to the high resonance frequency and low signal/noise ratio. The applicability is shown to be general and this simple approach can thus be used to obtain torsional constants for any beam shaped cantilever. © 2013 AIP Publishing LLC....

  8. Hydrogen dynamics in Na3AlH6: A combined density functional theory and quasielastic neutron scattering study

    DEFF Research Database (Denmark)

    Voss, Johannes; Shi, Qing; Jacobsen, Hjalte Sylvest

    2007-01-01

    alanate with TiCl3, and here we study hydrogen dynamics in doped and undoped Na3AlH6 using a combination of density functional theory calculations and quasielastic neutron scattering. The hydrogen dynamics is found to be vacancy mediated and dominated by localized jump events, whereas long-range bulk......Understanding the elusive catalytic role of titanium-based additives on the reversible hydrogenation of complex hydrides is an essential step toward developing hydrogen storage materials for the transport sector. Improved bulk diffusion of hydrogen is one of the proposed effects of doping sodium...... defect motion in sodium alanate could result from vacancy-mediated sodium diffusion....

  9. Point defect dynamics in sodium aluminum hydrides - a combined quasielastic neutron scattering and density functional theory study

    DEFF Research Database (Denmark)

    Shi, Qing; Voss, Johannes; Jacobsen, H.S.

    2007-01-01

    we study hydrogen dynamics in undoped and TiCl3-doped samples of NaAlH4 and Na3AlH6 using a combination of density functional theory calculations and quasielastic neutron scattering. Hydrogen dynamics is found to be limited and mediated by hydrogen vacancies in both alanate phases, requiring......Understanding the catalytic role of titanium-based additives on the reversible hydrogenation of complex metal hydrides is an essential step towards developing hydrogen storage materials for the transport sector. Improved bulk diffusion of hydrogen is one of the proposed catalytic effects, and here...

  10. Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Corsini, Niccolò R. C., E-mail: niccolo.corsini@imperial.ac.uk; Greco, Andrea; Haynes, Peter D. [Department of Physics and Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Hine, Nicholas D. M. [Department of Physics and Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Cavendish Laboratory, J. J. Thompson Avenue, Cambridge CB3 0HE (United Kingdom); Molteni, Carla [Department of Physics, King' s College London, Strand, London WC2R 2LS (United Kingdom)

    2013-08-28

    We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure. Based on a definition of the system volume as that enclosed within an electronic density isosurface [M. Cococcioni, F. Mauri, G. Ceder, and N. Marzari, Phys. Rev. Lett.94, 145501 (2005)], it supports both geometry optimizations and molecular dynamics simulations. We introduce an approach for calibrating the parameters defining the volume in the context of geometry optimizations and discuss their significance. Results in good agreement with simulations using explicit solvents are obtained, validating our approach. Size-dependent pressure-induced structural transformations and variations in the energy gap of hydrogenated silicon nanocrystals are investigated, including one comparable in size to recent experiments. A detailed analysis of the polyamorphic transformations reveals three types of amorphous structures and their persistence on depressurization is assessed.

  11. Some considerations concerning the theory of combined toxicity: a case study of subchronic experimental intoxication with cadmium and lead.

    Science.gov (United States)

    Varaksin, Anatoly N; Katsnelson, Boris A; Panov, Vladimir G; Privalova, Larisa I; Kireyeva, Ekaterina P; Valamina, Irene E; Beresneva, Olga Yu

    2014-02-01

    Rats were exposed intraperitoneally (3 times a week up to 20 injections) to either Cadmium and Lead salts in doses equivalent to their 0.05 LD50 separately or combined in the same or halved doses. Toxic effects were assessed by more than 40 functional, biochemical and morphometric indices. We analysed the results obtained aiming at determination of the type of combined toxicity using either common sense considerations based on descriptive statistics or two mathematical models based (a) on ANOVA and (b) on Mathematical Theory of Experimental Design, which correspond, respectively, to the widely recognised paradigms of effect additivity and dose additivity. Nevertheless, these approaches have led us unanimously to the following conclusions: (1) The above paradigms are virtually interchangeable and should be regarded as different methods of modelling the combined toxicity rather than as reflecting fundamentally differing processes. (2) Within both models there exist not merely three traditionally used types of combined toxicity (additivity, subadditivity and superadditivity) but at least 10 variants of it depending on exactly which effect is considered and on its level, as well as on the dose levels and their ratio. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Use of digital image analysis combined with fractal theory to determine particle morphology and surface texture of quartz sands

    Directory of Open Access Journals (Sweden)

    Georgia S. Araujo

    2017-12-01

    Full Text Available The particle morphology and surface texture play a major role in influencing mechanical and hydraulic behaviors of sandy soils. This paper presents the use of digital image analysis combined with fractal theory as a tool to quantify the particle morphology and surface texture of two types of quartz sands widely used in the region of Vitória, Espírito Santo, southeast of Brazil. The two investigated sands are sampled from different locations. The purpose of this paper is to present a simple, straightforward, reliable and reproducible methodology that can identify representative sandy soil texture parameters. The test results of the soil samples of the two sands separated by sieving into six size fractions are presented and discussed. The main advantages of the adopted methodology are its simplicity, reliability of the results, and relatively low cost. The results show that sands from the coastal spit (BS have a greater degree of roundness and a smoother surface texture than river sands (RS. The values obtained in the test are statistically analyzed, and again it is confirmed that the BS sand has a slightly greater degree of sphericity than that of the RS sand. Moreover, the RS sand with rough surface texture has larger specific surface area values than the similar BS sand, which agree with the obtained roughness fractal dimensions. The consistent experimental results demonstrate that image analysis combined with fractal theory is an accurate and efficient method to quantify the differences in particle morphology and surface texture of quartz sands.

  13. A model for the electrical double layer combining integral equation techniques with quantum density functional theory

    International Nuclear Information System (INIS)

    Luque, N.B.; Woelki, S.; Henderson, D.; Schmickler, W.

    2011-01-01

    Highlights: · We augment a double-layer model based on integral equations by calculating the interaction parameters with the electrode from quantum density functional theory · Explicit model calculations for Ag(1 1 1) in aqueous solutions give at least qualitatively good results for the particle profiles · Ours is the only method which allows the calculation of capacity-charge characteristics. · We obtain reasonable values for the Helmholtz (inner-layer) capacity. - Abstract: We have complemented the singlet reference interaction site model for the electric double layer by quantum chemical calculations for the interaction of ions and solvents with an electrode. Specific calculations have been performed for an aqueous solution of NaCl in contact with a Ag(1 1 1) electrode. The particle profiles near the electrode show the specific adsorption of Cl - ions, but not of Na + , and are at least in qualitative agreement with those obtained by molecular dynamics. Including the electronic response of the silver surface into the model results in reasonable capacity-charge characteristics.

  14. Combining a dispersal model with network theory to assess habitat connectivity.

    Science.gov (United States)

    Lookingbill, Todd R; Gardner, Robert H; Ferrari, Joseph R; Keller, Cherry E

    2010-03-01

    Assessing the potential for threatened species to persist and spread within fragmented landscapes requires the identification of core areas that can sustain resident populations and dispersal corridors that can link these core areas with isolated patches of remnant habitat. We developed a set of GIS tools, simulation methods, and network analysis procedures to assess potential landscape connectivity for the Delmarva fox squirrel (DFS; Sciurus niger cinereus), an endangered species inhabiting forested areas on the Delmarva Peninsula, USA. Information on the DFS's life history and dispersal characteristics, together with data on the composition and configuration of land cover on the peninsula, were used as input data for an individual-based model to simulate dispersal patterns of millions of squirrels. Simulation results were then assessed using methods from graph theory, which quantifies habitat attributes associated with local and global connectivity. Several bottlenecks to dispersal were identified that were not apparent from simple distance-based metrics, highlighting specific locations for landscape conservation, restoration, and/or squirrel translocations. Our approach links simulation models, network analysis, and available field data in an efficient and general manner, making these methods useful and appropriate for assessing the movement dynamics of threatened species within landscapes being altered by human and natural disturbances.

  15. Combining item response theory with multiple imputation to equate health assessment questionnaires.

    Science.gov (United States)

    Gu, Chenyang; Gutman, Roee

    2017-09-01

    The assessment of patients' functional status across the continuum of care requires a common patient assessment tool. However, assessment tools that are used in various health care settings differ and cannot be easily contrasted. For example, the Functional Independence Measure (FIM) is used to evaluate the functional status of patients who stay in inpatient rehabilitation facilities, the Minimum Data Set (MDS) is collected for all patients who stay in skilled nursing facilities, and the Outcome and Assessment Information Set (OASIS) is collected if they choose home health care provided by home health agencies. All three instruments or questionnaires include functional status items, but the specific items, rating scales, and instructions for scoring different activities vary between the different settings. We consider equating different health assessment questionnaires as a missing data problem, and propose a variant of predictive mean matching method that relies on Item Response Theory (IRT) models to impute unmeasured item responses. Using real data sets, we simulated missing measurements and compared our proposed approach to existing methods for missing data imputation. We show that, for all of the estimands considered, and in most of the experimental conditions that were examined, the proposed approach provides valid inferences, and generally has better coverages, relatively smaller biases, and shorter interval estimates. The proposed method is further illustrated using a real data set. © 2016, The International Biometric Society.

  16. Enhanced aeroelastic energy harvesting by exploiting combined nonlinearities: theory and experiment

    International Nuclear Information System (INIS)

    Sousa, V C; De M Anicézio, M; De Marqui Jr, C; Erturk, A

    2011-01-01

    Converting aeroelastic vibrations into electricity for low power generation has received growing attention over the past few years. In addition to potential applications for aerospace structures, the goal is to develop alternative and scalable configurations for wind energy harvesting to use in wireless electronic systems. This paper presents modeling and experiments of aeroelastic energy harvesting using piezoelectric transduction with a focus on exploiting combined nonlinearities. An airfoil with plunge and pitch degrees of freedom (DOF) is investigated. Piezoelectric coupling is introduced to the plunge DOF while nonlinearities are introduced through the pitch DOF. A state-space model is presented and employed for the simulations of the piezoaeroelastic generator. A two-state approximation to Theodorsen aerodynamics is used in order to determine the unsteady aerodynamic loads. Three case studies are presented. First the interaction between piezoelectric power generation and linear aeroelastic behavior of a typical section is investigated for a set of resistive loads. Model predictions are compared to experimental data obtained from the wind tunnel tests at the flutter boundary. In the second case study, free play nonlinearity is added to the pitch DOF and it is shown that nonlinear limit-cycle oscillations can be obtained not only above but also below the linear flutter speed. The experimental results are successfully predicted by the model simulations. Finally, the combination of cubic hardening stiffness and free play nonlinearities is considered in the pitch DOF. The nonlinear piezoaeroelastic response is investigated for different values of the nonlinear-to-linear stiffness ratio. The free play nonlinearity reduces the cut-in speed while the hardening stiffness helps in obtaining persistent oscillations of acceptable amplitude over a wider range of airflow speeds. Such nonlinearities can be introduced to aeroelastic energy harvesters (exploiting

  17. Improving predictions for collider observables by consistently combining fixed order calculations with resummed results in perturbation theory

    International Nuclear Information System (INIS)

    Schoenherr, Marek

    2011-01-01

    With the constantly increasing precision of experimental data acquired at the current collider experiments Tevatron and LHC the theoretical uncertainty on the prediction of multiparticle final states has to decrease accordingly in order to have meaningful tests of the underlying theories such as the Standard Model. A pure leading order calculation, defined in the perturbative expansion of said theory in the interaction constant, represents the classical limit to such a quantum field theory and was already found to be insufficient at past collider experiments, e.g. LEP or HERA. Such a leading order calculation can be systematically improved in various limits. If the typical scales of a process are large and the respective coupling constants are small, the inclusion of fixed-order higher-order corrections then yields quickly converging predictions with much reduced uncertainties. In certain regions of the phase space, still well within the perturbative regime of the underlying theory, a clear hierarchy of the inherent scales, however, leads to large logarithms occurring at every order in perturbation theory. In many cases these logarithms are universal and can be resummed to all orders leading to precise predictions in these limits. Multiparticle final states now exhibit both small and large scales, necessitating a description using both resummed and fixed-order results. This thesis presents the consistent combination of two such resummation schemes with fixed-order results. The main objective therefor is to identify and properly treat terms that are present in both formulations in a process and observable independent manner. In the first part the resummation scheme introduced by Yennie, Frautschi and Suura (YFS), resumming large logarithms associated with the emission of soft photons in massive QED, is combined with fixed-order next-to-leading matrix elements. The implementation of a universal algorithm is detailed and results are studied for various precision

  18. Spatiotemporal Interpolation of Rainfall by Combining BME Theory and Satellite Rainfall Estimates

    Directory of Open Access Journals (Sweden)

    Tingting Shi

    2015-09-01

    Full Text Available The accurate assessment of spatiotemporal rainfall variability is a crucial and challenging task in many hydrological applications, mainly due to the lack of a sufficient number of rain gauges. The purpose of the present study is to investigate the spatiotemporal variations of annual and monthly rainfall over Fujian province in China by combining the Bayesian maximum entropy (BME method and satellite rainfall estimates. Specifically, based on annual and monthly rainfall data at 20 meteorological stations from 2000 to 2012, (1 the BME method with Tropical Rainfall Measuring Mission (TRMM estimates considered as soft data, (2 ordinary kriging (OK and (3 cokriging (CK were employed to model the spatiotemporal variations of rainfall in Fujian province. Subsequently, the performance of these methods was evaluated using cross-validation statistics. The results demonstrated that BME with TRMM as soft data (BME-TRMM performed better than the other two methods, generating rainfall maps that represented the local rainfall disparities in a more realistic manner. Of the three interpolation (mapping methods, the mean absolute error (MAE and root mean square error (RMSE values of the BME-TRMM method were the smallest. In conclusion, the BME-TRMM method improved spatiotemporal rainfall modeling and mapping by integrating hard data and soft information. Lastly, the study identified new opportunities concerning the application of TRMM rainfall estimates.

  19. Combined Heat Transfer in High-Porosity High-Temperature Fibrous Insulations: Theory and Experimental Validation

    Science.gov (United States)

    Daryabeigi, Kamran; Cunnington, George R.; Miller, Steve D.; Knutson, Jeffry R.

    2010-01-01

    Combined radiation and conduction heat transfer through various high-temperature, high-porosity, unbonded (loose) fibrous insulations was modeled based on first principles. The diffusion approximation was used for modeling the radiation component of heat transfer in the optically thick insulations. The relevant parameters needed for the heat transfer model were derived from experimental data. Semi-empirical formulations were used to model the solid conduction contribution of heat transfer in fibrous insulations with the relevant parameters inferred from thermal conductivity measurements at cryogenic temperatures in a vacuum. The specific extinction coefficient for radiation heat transfer was obtained from high-temperature steady-state thermal measurements with large temperature gradients maintained across the sample thickness in a vacuum. Standard gas conduction modeling was used in the heat transfer formulation. This heat transfer modeling methodology was applied to silica, two types of alumina, and a zirconia-based fibrous insulation, and to a variation of opacified fibrous insulation (OFI). OFI is a class of insulations manufactured by embedding efficient ceramic opacifiers in various unbonded fibrous insulations to significantly attenuate the radiation component of heat transfer. The heat transfer modeling methodology was validated by comparison with more rigorous analytical solutions and with standard thermal conductivity measurements. The validated heat transfer model is applicable to various densities of these high-porosity insulations as long as the fiber properties are the same (index of refraction, size distribution, orientation, and length). Furthermore, the heat transfer data for these insulations can be obtained at any static pressure in any working gas environment without the need to perform tests in various gases at various pressures.

  20. A study on the multiple solutions of the Martree-Fock-Roothaan equation for closed shell systems

    International Nuclear Information System (INIS)

    Malbouisson, L.A.C.

    1985-01-01

    An analysis of the multiple solutions of the Hartree-Fock-Roothaan equation for closed shell systems is done. The meaning of these solutions is discussed as self-consistent solutions of the pseudo-eingen-value equation and a general method for obtaining them is proposed. It is developed a criterion of stability for classifying the solutions depending on the type of the extremum point of the electronic energy function that the solution represent. It is also shown the existence of a correspondence between the multiple solutions and the several ordering rules that can be introduced for the usual iterative procedure of resolution of the equation. All the analysis and procedures developed are applied to the systems LiH, BH, Be and He. (author) [pt

  1. Combination of uncertainty theories and decision-aiding methods for natural risk management in a context of imperfect information

    Science.gov (United States)

    Tacnet, Jean-Marc; Dupouy, Guillaume; Carladous, Simon; Dezert, Jean; Batton-Hubert, Mireille

    2017-04-01

    In mountain areas, natural phenomena such as snow avalanches, debris-flows and rock-falls, put people and objects at risk with sometimes dramatic consequences. Risk is classically considered as a combination of hazard, the combination of the intensity and frequency of the phenomenon, and vulnerability which corresponds to the consequences of the phenomenon on exposed people and material assets. Risk management consists in identifying the risk level as well as choosing the best strategies for risk prevention, i.e. mitigation. In the context of natural phenomena in mountainous areas, technical and scientific knowledge is often lacking. Risk management decisions are therefore based on imperfect information. This information comes from more or less reliable sources ranging from historical data, expert assessments, numerical simulations etc. Finally, risk management decisions are the result of complex knowledge management and reasoning processes. Tracing the information and propagating information quality from data acquisition to decisions are therefore important steps in the decision-making process. One major goal today is therefore to assist decision-making while considering the availability, quality and reliability of information content and sources. A global integrated framework is proposed to improve the risk management process in a context of information imperfection provided by more or less reliable sources: uncertainty as well as imprecision, inconsistency and incompleteness are considered. Several methods are used and associated in an original way: sequential decision context description, development of specific multi-criteria decision-making methods, imperfection propagation in numerical modeling and information fusion. This framework not only assists in decision-making but also traces the process and evaluates the impact of information quality on decision-making. We focus and present two main developments. The first one relates to uncertainty and imprecision

  2. Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories

    Energy Technology Data Exchange (ETDEWEB)

    Garza, Alejandro J.; Jiménez-Hoyos, Carlos A. [Department of Chemistry, Rice University, Houston, Texas 77251-1892 (United States); Scuseria, Gustavo E. [Department of Chemistry and Department of Physics and Astronomy, Rice University, Houston, Texas 77251-1892, USA and Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

    2014-06-28

    Several schemes to avoid the double counting of correlations in methods that merge multireference wavefunctions with density functional theory (DFT) are studied and here adapted to a combination of spin-projected Hartree-Fock (SUHF) and DFT. The advantages and limitations of the new method, denoted SUHF+f{sub c}DFT, are explored through calculations on benchmark sets in which the accounting of correlations is challenging for pure SUHF or DFT. It is shown that SUHF+f{sub c}DFT can greatly improve the description of certain molecular properties (e.g., singlet-triplet energy gaps) which are not improved by simple addition of DFT dynamical correlation to SUHF. However, SUHF+f{sub c}DFT is also shown to have difficulties dissociating certain types of bonds and describing highly charged ions with static correlation. Possible improvements to the current SUHF+f{sub c}DFT scheme are discussed in light of these results.

  3. A Novel Generation Method for the PV Power Time Series Combining the Decomposition Technique and Markov Chain Theory

    DEFF Research Database (Denmark)

    Xu, Shenzhi; Ai, Xiaomeng; Fang, Jiakun

    2017-01-01

    Photovoltaic (PV) power generation has made considerable developments in recent years. But its intermittent and volatility of its output has seriously affected the security operation of the power system. In order to better understand the PV generation and provide sufficient data support...... for analysis the impacts, a novel generation method for PV power time series combining decomposition technique and Markov chain theory is presented in this paper. It digs important factors from historical data from existing PV plants and then reproduce new data with similar patterns. In detail, the proposed...... method first decomposes the PV power time series into ideal output curve, amplitude parameter series and random fluctuating component three parts. Then generating daily ideal output curve by the extraction of typical daily data, amplitude parameter series based on the Markov chain Monte Carlo (MCMC...

  4. Precise prediction for the light MSSM Higgs-boson mass combining effective field theory and fixed-order calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bahl, Henning; Hollik, Wolfgang [Max-Planck-Institut fuer Physik (Werner-Heisenberg-Institut), Munich (Germany)

    2016-09-15

    In the Minimal Supersymmetric Standard Model heavy superparticles introduce large logarithms in the calculation of the lightest CP-even Higgs-boson mass. These logarithmic contributions can be resummed using effective field theory techniques. For light superparticles, however, fixed-order calculations are expected to be more accurate. To gain a precise prediction also for intermediate mass scales, the two approaches have to be combined. Here, we report on an improvement of this method in various steps: the inclusion of electroweak contributions, of separate electroweakino and gluino thresholds, as well as resummation at the NNLL level. These improvements can lead to significant numerical effects. In most cases, the lightest CP-even Higgs-boson mass is shifted downwards by about 1 GeV. This is mainly caused by higher-order corrections to the MS top-quark mass. We also describe the implementation of the new contributions in the code FeynHiggs. (orig.)

  5. Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressures.

    Science.gov (United States)

    Sheppard, Daniel; Kress, Joel D; Crockett, Scott; Collins, Lee A; Desjarlais, Michael P

    2014-12-01

    The shock Hugoniot for lithium 6 deuteride ((6)LiD) was calculated via first principles using Kohn-Sham density-functional theory molecular dynamics (KSMD) for temperatures of 0.5-25 eV. The upper limit of 25 eV represents a practical limit where KSMD is no longer computationally feasible due to the number of electronic bands which are required to be populated. To push the Hugoniot calculations to higher temperatures we make use of orbital-free density-functional theory molecular dynamics (OFMD). Thomas-Fermi-Dirac-based OFMD gives a poor description of the electronic structure at low temperatures so the initial state is not well defined. We propose a method of bootstrapping the Hugoniot from OFMD to the Hugoniot from KSMD between 10 and 20 eV, where the two methods are in agreement. The combination of KSMD and OFMD allows construction of a first-principles Hugoniot from the initial state to 1000 eV. Theoretical shock-compression results are in good agreement with available experimental data and exhibit the appropriate high-temperature limits. We show that a unified KSMD-OFMD Hugoniot can be used to assess the quality of the existing equation-of-state (EOS) models and inform better EOS models based on justifiable physics.

  6. Dissipative two-level system under strong ac driving: A combination of Floquet and Van Vleck perturbation theory

    International Nuclear Information System (INIS)

    Hausinger, Johannes; Grifoni, Milena

    2010-01-01

    We study the dissipative dynamics of a two-level system (TLS) exposed to strong ac driving. By combining Floquet theory with Van Vleck perturbation theory in the TLS tunneling matrix element, we diagonalize the time-dependent Hamiltonian and provide corrections to the renormalized Rabi frequency of the TLS, which are valid for both a biased and unbiased TLS and go beyond the known high-frequency and rotating-wave results. In order to mimic environmental influences on the TLS, we couple the system weakly to a thermal bath and solve analytically the corresponding Floquet-Bloch-Redfield master equation. We give a closed expression for the relaxation and dephasing rates of the TLS and discuss their behavior under variation of the driving amplitude. Further, we examine the robustness of coherent destruction of tunneling (CDT) and driving-induced tunneling oscillations (DITO). We show that also for a moderate driving frequency an almost complete suppression of tunneling can be achieved for short times and demonstrate the sensitiveness of DITO to a change of the external parameters.

  7. Uncovering stability mechanisms in microbial ecosystems - combining microcosm experiments, computational modelling and ecological theory in a multidisciplinary approach

    Science.gov (United States)

    Worrich, Anja; König, Sara; Banitz, Thomas; Centler, Florian; Frank, Karin; Kästner, Matthias; Miltner, Anja; Thullner, Martin; Wick, Lukas

    2015-04-01

    Although bacterial degraders in soil are commonly exposed to fluctuating environmental conditions, the functional performance of the biodegradation processes can often be maintained by resistance and resilience mechanisms. However, there is still a gap in the mechanistic understanding of key factors contributing to the stability of such an ecosystem service. Therefore we developed an integrated approach combining microcosm experiments, simulation models and ecological theory to directly make use of the strengths of these disciplines. In a continuous interplay process, data, hypotheses, and central questions are exchanged between disciplines to initiate new experiments and models to ultimately identify buffer mechanisms and factors providing functional stability. We focus on drying and rewetting-cycles in soil ecosystems, which are a major abiotic driver for bacterial activity. Functional recovery of the system was found to depend on different spatial processes in the computational model. In particular, bacterial motility is a prerequisite for biodegradation if either bacteria or substrate are heterogeneously distributed. Hence, laboratory experiments focussing on bacterial dispersal processes were conducted and confirmed this finding also for functional resistance. Obtained results will be incorporated into the model in the next step. Overall, the combination of computational modelling and laboratory experiments identified spatial processes as the main driving force for functional stability in the considered system, and has proved a powerful methodological approach.

  8. Optimal control of open quantum systems: A combined surrogate Hamiltonian optimal control theory approach applied to photochemistry on surfaces

    International Nuclear Information System (INIS)

    Asplund, Erik; Kluener, Thorsten

    2012-01-01

    In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate Hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate Hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., (ℎ/2π)=m e =e=a 0 = 1, have been used unless otherwise stated.

  9. Optimal control of open quantum systems: a combined surrogate hamiltonian optimal control theory approach applied to photochemistry on surfaces.

    Science.gov (United States)

    Asplund, Erik; Klüner, Thorsten

    2012-03-28

    In this paper, control of open quantum systems with emphasis on the control of surface photochemical reactions is presented. A quantum system in a condensed phase undergoes strong dissipative processes. From a theoretical viewpoint, it is important to model such processes in a rigorous way. In this work, the description of open quantum systems is realized within the surrogate hamiltonian approach [R. Baer and R. Kosloff, J. Chem. Phys. 106, 8862 (1997)]. An efficient and accurate method to find control fields is optimal control theory (OCT) [W. Zhu, J. Botina, and H. Rabitz, J. Chem. Phys. 108, 1953 (1998); Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004)]. To gain control of open quantum systems, the surrogate hamiltonian approach and OCT, with time-dependent targets, are combined. Three open quantum systems are investigated by the combined method, a harmonic oscillator immersed in an ohmic bath, CO adsorbed on a platinum surface, and NO adsorbed on a nickel oxide surface. Throughout this paper, atomic units, i.e., ℏ = m(e) = e = a(0) = 1, have been used unless otherwise stated.

  10. A combined data mining approach using rough set theory and case-based reasoning in medical datasets

    Directory of Open Access Journals (Sweden)

    Mohammad Taghi Rezvan

    2014-06-01

    Full Text Available Case-based reasoning (CBR is the process of solving new cases by retrieving the most relevant ones from an existing knowledge-base. Since, irrelevant or redundant features not only remarkably increase memory requirements but also the time complexity of the case retrieval, reducing the number of dimensions is an issue worth considering. This paper uses rough set theory (RST in order to reduce the number of dimensions in a CBR classifier with the aim of increasing accuracy and efficiency. CBR exploits a distance based co-occurrence of categorical data to measure similarity of cases. This distance is based on the proportional distribution of different categorical values of features. The weight used for a feature is the average of co-occurrence values of the features. The combination of RST and CBR has been applied to real categorical datasets of Wisconsin Breast Cancer, Lymphography, and Primary cancer. The 5-fold cross validation method is used to evaluate the performance of the proposed approach. The results show that this combined approach lowers computational costs and improves performance metrics including accuracy and interpretability compared to other approaches developed in the literature.

  11. A holistic method to assess building energy efficiency combining D-S theory and the evidential reasoning approach

    International Nuclear Information System (INIS)

    Yao Runming; Yang Yulan; Li Baizhan

    2012-01-01

    The assessment of building energy efficiency is one of the most effective measures for reducing building energy consumption. This paper proposes a holistic method (HMEEB) for assessing and certifying energy efficiency of buildings based on the D-S (Dempster-Shafer) theory of evidence and the Evidential Reasoning (ER) approach. HMEEB has three main features: (i) it provides both a method to assess and certify building energy efficiency, and exists as an analytical tool to identify improvement opportunities; (ii) it combines a wealth of information on building energy efficiency assessment, including identification of indicators and a weighting mechanism; and (iii) it provides a method to identify and deal with inherent uncertainties within the assessment procedure. This paper demonstrates the robustness, flexibility and effectiveness of the proposed method, using two examples to assess the energy efficiency of two residential buildings, both located in the ‘Hot Summer and Cold Winter’ zone in China. The proposed certification method provides detailed recommendations for policymakers in the context of carbon emission reduction targets and promoting energy efficiency in the built environment. The method is transferable to other countries and regions, using an indicator weighting system to modify local climatic, economic and social factors. - Highlights: ► Assessing energy efficiency of buildings holistically; ► Applying the D-S (Dempster-Shafer) theory of evidence and the Evidential Reasoning (ER) approach; ► Involving large information and uncertainties in the energy efficiency decision-making process. ► rigorous measures for policymakers to meet carbon emission reduction targets.

  12. Learning from doing: the case for combining normalisation process theory and participatory learning and action research methodology for primary healthcare implementation research.

    Science.gov (United States)

    de Brún, Tomas; O'Reilly-de Brún, Mary; O'Donnell, Catherine A; MacFarlane, Anne

    2016-08-03

    The implementation of research findings is not a straightforward matter. There are substantive and recognised gaps in the process of translating research findings into practice and policy. In order to overcome some of these translational difficulties, a number of strategies have been proposed for researchers. These include greater use of theoretical approaches in research focused on implementation, and use of a wider range of research methods appropriate to policy questions and the wider social context in which they are placed. However, questions remain about how to combine theory and method in implementation research. In this paper, we respond to these proposals. Focussing on a contemporary social theory, Normalisation Process Theory, and a participatory research methodology, Participatory Learning and Action, we discuss the potential of their combined use for implementation research. We note ways in which Normalisation Process Theory and Participatory Learning and Action are congruent and may therefore be used as heuristic devices to explore, better understand and support implementation. We also provide examples of their use in our own research programme about community involvement in primary healthcare. Normalisation Process Theory alone has, to date, offered useful explanations for the success or otherwise of implementation projects post-implementation. We argue that Normalisation Process Theory can also be used to prospectively support implementation journeys. Furthermore, Normalisation Process Theory and Participatory Learning and Action can be used together so that interventions to support implementation work are devised and enacted with the expertise of key stakeholders. We propose that the specific combination of this theory and methodology possesses the potential, because of their combined heuristic force, to offer a more effective means of supporting implementation projects than either one might do on its own, and of providing deeper understandings of

  13. Bonding in Heavier Group 14 Zero-Valent Complexes-A Combined Maximum Probability Domain and Valence Bond Theory Approach.

    Science.gov (United States)

    Turek, Jan; Braïda, Benoît; De Proft, Frank

    2017-10-17

    The bonding in heavier Group 14 zero-valent complexes of a general formula L 2 E (E=Si-Pb; L=phosphine, N-heterocyclic and acyclic carbene, cyclic tetrylene and carbon monoxide) is probed by combining valence bond (VB) theory and maximum probability domain (MPD) approaches. All studied complexes are initially evaluated on the basis of the structural parameters and the shape of frontier orbitals revealing a bent structural motif and the presence of two lone pairs at the central E atom. For the VB calculations three resonance structures are suggested, representing the "ylidone", "ylidene" and "bent allene" structures, respectively. The influence of both ligands and central atoms on the bonding situation is clearly expressed in different weights of the resonance structures for the particular complexes. In general, the bonding in the studied E 0 compounds, the tetrylones, is best described as a resonating combination of "ylidone" and "ylidene" structures with a minor contribution of the "bent allene" structure. Moreover, the VB calculations allow for a straightforward assessment of the π-backbonding (E→L) stabilization energy. The validity of the suggested resonance model is further confirmed by the complementary MPD calculations focusing on the E lone pair region as well as the E-L bonding region. Likewise, the MPD method reveals a strong influence of the σ-donating and π-accepting properties of the ligand. In particular, either one single domain or two symmetrical domains are found in the lone pair region of the central atom, supporting the predominance of either the "ylidene" or "ylidone" structures having one or two lone pairs at the central atom, respectively. Furthermore, the calculated average populations in the lone pair MPDs correlate very well with the natural bond orbital (NBO) populations, and can be related to the average number of electrons that is backdonated to the ligands. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Predicting adherence to combination antiretroviral therapy for HIV in Tanzania: A test of an extended theory of planned behaviour model.

    Science.gov (United States)

    Banas, Kasia; Lyimo, Ramsey A; Hospers, Harm J; van der Ven, Andre; de Bruin, Marijn

    2017-10-01

    Combination antiretroviral therapy (cART) for HIV is widely available in sub-Saharan Africa. Adherence is crucial to successful treatment. This study aimed to apply an extended theory of planned behaviour (TPB) model to predict objectively measured adherence to cART in Tanzania. Prospective observational study (n = 158) where patients completed questionnaires on demographics (Month 0), socio-cognitive variables including intentions (Month 1), and action planning and self-regulatory processes hypothesised to mediate the intention-behaviour relationship (Month 3), to predict adherence (Month 5). Taking adherence was measured objectively using the Medication Events Monitoring System (MEMS) caps. Model tests were conducted using regression and bootstrap mediation analyses. Perceived behavioural control (PBC) was positively (β = .767, p behavioural measure, identified PBC as the main driver of adherence intentions. The effect of intentions on adherence was only indirect through self-regulatory processes, which were the main predictor of objectively assessed adherence.

  15. Energy Management of Combined Cooling, Heating and Power Micro Energy Grid Based on Leader-Follower Game Theory

    Directory of Open Access Journals (Sweden)

    Kaijun Lin

    2018-03-01

    Full Text Available In this paper, we consider a general model and solution algorithm for the energy management of combined cooling, heating, and power micro energy grid (MEG under the game theory framework. An innovative dynamic leader-follower game strategy is proposed in this paper to balance the interactions between MEG and user. We show that such game between MEG and user has a unique Nash equilibrium (NE, and in order to quantify the user’s expenditure and dissatisfaction, we model them and adopt the fuzzy bi-objective algorithm. For more details in the proposed game model, the MEG leads the game by deciding energy sales prices and optimizing the power, cooling and heating outputs according to the user’s load plan to maximize its own profit. With the prices being released by MEG, user’s adjustment of energy consumption follows and is again fed to MEG. In practice, we initialize simulations with daily loads of a typical community. As the numerical results demonstrate, MEG is proficient in consumption capacity of renewable energy and energy optimization. It also shows that the user achieves his economic optimum with experience of energy usage taken into account.

  16. Colour change in biferroic YCrO_3 under high pressure: a combined experimental and density functional theory investigation

    International Nuclear Information System (INIS)

    Chakraborty, Brahmananda; Mall, Ashish Kumar; Gupta, Rajeev; Chitnis, Abhishek; Garg, Nandini; Ramaniah, Lavanya M.; Sharma, Surinder M.

    2016-01-01

    Biferroic materials find potential applications in various technological fields due to their simultaneous ferroelectric and ferromagnetic ordering. Yttrium chromite (YCrO_3) is found to be a biferroic having orthorhombic structure with Pnma space group. Combining both experiment and density functional theory (DFT), we have investigated the high pressure behaviour of YCrO_3 up to 100 GPa. We have observed a colour change in YCrO_3 from yellow-green to red at pressures larger than 40 GPa, which can be correlated with reduction in band gap under pressure. Present experimental data seems to suggest no structural transition upto 100 GPa. All the calculations are carried out using the DFT based projector augmented wave (PAW) method as implemented in the VASP code. As DFT has a limitation in predicting the correct band gap, we have employed the GGA+U method to compute the band gap. The computed band gap of 2.33 eV in ambient condition is close to the experimental value of 2.4 eV. The X-ray diffraction experiments were carried out in an indigenously designed diamond anvil cell

  17. Combining emperical and theory-based land use modelling approaches to assess future availability of land and economic potential for sustainable biofuel production: Argentina as a case study

    NARCIS (Netherlands)

    Diogo, V.; van der Hilst, Floortje; van Eijck, Janske; Faaij, André; Verstegen, Judith; Hilbert, J.; Carballo, S.; Volante, J.

    2014-01-01

    In this paper, a land-use modelling framework is presented combining empirical and theory-based modelling approaches to determine economic potential of biofuel production avoiding indirect land-use changes (iLUC) resulting from land competition with other functions. The empirical approach explores

  18. Combining empirical and theory-based land-use modelling approaches to assess economic potential of biofuel production avoiding iLUC: Argentina as a case study

    NARCIS (Netherlands)

    Diogo, V.; van der Hilst, F.; van Eijck, J.; Verstegen, J.A.; Hilbert, J.; Carballo, S.; Volante, J.; Faaij, A.

    2014-01-01

    In this paper, a land-use modelling framework is presented combining empirical and theory-based modelling approaches to determine economic potential of biofuel production avoiding indirect land-use changes (iLUC) resulting from land competition with other functions. The empirical approach explores

  19. Combined social cognitive and neurocognitive rehabilitation strategies in schizophrenia: neuropsychological and psychopathological influences on Theory of Mind improvement.

    Science.gov (United States)

    Bechi, M; Bosia, M; Spangaro, M; Buonocore, M; Cocchi, F; Pigoni, A; Piantanida, M; Guglielmino, C; Bianchi, L; Smeraldi, E; Cavallaro, R

    2015-11-01

    Neurocognitive and social cognitive impairments represent important treatment targets in schizophrenia, as they are significant predictors of functional outcome. Different rehabilitative interventions have recently been developed, addressing both cognitive and psychosocial domains. Although promising, results are still heterogeneous and predictors of treatment outcome are not yet identified. In this study we evaluated the efficacy of two newly developed social cognitive interventions, respectively based on the use of videotaped material and comic strips, combined with domain-specific Cognitive Remediation Therapy (CRT). We also analysed possible predictors of training outcome, including basal neurocognitive performance, the degree of cognitive improvement after CRT and psychopathological variables. Seventy-five patients with schizophrenia treated with CRT, were randomly assigned to: social cognitive training (SCT) group, Theory of Mind Intervention (ToMI) group, and active control group (ACG). ANOVAs showed that SCT and ToMI groups improved significantly in ToM measures, whereas the ACG did not. We reported no influences of neuropsychological measures and improvement after CRT on changes in ToM. Both paranoid and non-paranoid subjects improved significantly after ToMI and SCT, without differences between groups, despite the better performance in basal ToM found among paranoid patients. In the ACG only non-paranoid patients showed an improvement in non-verbal ToM. Results showed that both ToMI and SCT are effective in improving ToM in schizophrenia with no influence of neuropsychological domains. Our data also suggest that paranoid symptoms may discriminate between different types of ToM difficulties in schizophrenia.

  20. Short-term traffic flow prediction model using particle swarm optimization–based combined kernel function-least squares support vector machine combined with chaos theory

    Directory of Open Access Journals (Sweden)

    Qiang Shang

    2016-08-01

    Full Text Available Short-term traffic flow prediction is an important part of intelligent transportation systems research and applications. For further improving the accuracy of short-time traffic flow prediction, a novel hybrid prediction model (multivariate phase space reconstruction–combined kernel function-least squares support vector machine based on multivariate phase space reconstruction and combined kernel function-least squares support vector machine is proposed. The C-C method is used to determine the optimal time delay and the optimal embedding dimension of traffic variables’ (flow, speed, and occupancy time series for phase space reconstruction. The G-P method is selected to calculate the correlation dimension of attractor which is an important index for judging chaotic characteristics of the traffic variables’ series. The optimal input form of combined kernel function-least squares support vector machine model is determined by multivariate phase space reconstruction, and the model’s parameters are optimized by particle swarm optimization algorithm. Finally, case validation is carried out using the measured data of an expressway in Xiamen, China. The experimental results suggest that the new proposed model yields better predictions compared with similar models (combined kernel function-least squares support vector machine, multivariate phase space reconstruction–generalized kernel function-least squares support vector machine, and phase space reconstruction–combined kernel function-least squares support vector machine, which indicates that the new proposed model exhibits stronger prediction ability and robustness.

  1. An Integrated Decision-Making Model for Transformer Condition Assessment Using Game Theory and Modified Evidence Combination Extended by D Numbers

    Directory of Open Access Journals (Sweden)

    Lingjie Sun

    2016-08-01

    Full Text Available The power transformer is one of the most critical and expensive components for the stable operation of the power system. Hence, how to obtain the health condition of transformer is of great importance for power utilities. Multi-attribute decision-making (MADM, due to its ability of solving multi-source information problems, has become a quite effective tool to evaluate the health condition of transformers. Currently, the analytic hierarchy process (AHP and Dempster–Shafer theory are two popular methods to solve MADM problems; however, these techniques rarely consider one-sidedness of the single weighting method and the exclusiveness hypothesis of the Dempster–Shafer theory. To overcome these limitations, this paper introduces a novel decision-making model, which integrates the merits of fuzzy set theory, game theory and modified evidence combination extended by D numbers, to evaluate the health condition of transformers. A four-level framework, which includes three factors and seventeen sub-factors, is put forward to facilitate the evaluation model. The model points out the following: First, the fuzzy set theory is employed to obtain the original basic probability assignments for all indices. Second, the subjective and objective weights of indices, which are calculated by fuzzy AHP and entropy weight, respectively, are integrated to generate the comprehensive weights based on game theory. Finally, based on the above two steps, the modified evidence combination extended by D numbers, which avoids the limitation of the exclusiveness hypothesis in the application of Dempster–Shafer theory, is proposed to obtain the final assessment results of transformers. Case studies are given to demonstrate the proposed modeling process. The results show the effectiveness and engineering practicability of the model in transformer condition assessment.

  2. An online study combining the constructs from the theory of planned behaviour and protection motivation theory in predicting intention to test for chlamydia in two testing contexts.

    Science.gov (United States)

    Powell, Rachael; Pattison, Helen M; Francis, Jill J

    2016-01-01

    Chlamydia is a common sexually transmitted infection that has potentially serious consequences unless detected and treated early. The health service in the UK offers clinic-based testing for chlamydia but uptake is low. Identifying the predictors of testing behaviours may inform interventions to increase uptake. Self-tests for chlamydia may facilitate testing and treatment in people who avoid clinic-based testing. Self-testing and being tested by a health care professional (HCP) involve two contrasting contexts that may influence testing behaviour. However, little is known about how predictors of behaviour differ as a function of context. In this study, theoretical models of behaviour were used to assess factors that may predict intention to test in two different contexts: self-testing and being tested by a HCP. Individuals searching for or reading about chlamydia testing online were recruited using Google Adwords. Participants completed an online questionnaire that addressed previous testing behaviour and measured constructs of the Theory of Planned Behaviour and Protection Motivation Theory, which propose a total of eight possible predictors of intention. The questionnaire was completed by 310 participants. Sufficient data for multiple regression were provided by 102 and 118 respondents for self-testing and testing by a HCP respectively. Intention to self-test was predicted by vulnerability and self-efficacy, with a trend-level effect for response efficacy. Intention to be tested by a HCP was predicted by vulnerability, attitude and subjective norm. Thus, intentions to carry out two testing behaviours with very similar goals can have different predictors depending on test context. We conclude that interventions to increase self-testing should be based on evidence specifically related to test context.

  3. Combination of qualitative and quantitative sources of knowledge for risk assessment in the framework of possibility theory

    NARCIS (Netherlands)

    Oussalah, M.; Newby, M.J.

    2004-01-01

    This paper focuses on a representation of system reliability in the framework of possibility theory. Particularly, given a (probabilistic) quantitative knowledge pertaining to the time to failure of a system (risk function) and some qualitative knowledge about the degree of pessimism and optimism of

  4. Combining Vision with Voice: A Learning and Implementation Structure Promoting Teachers' Internalization of Practices Based on Self-Determination Theory

    Science.gov (United States)

    Assor, Avi; Kaplan, Haya; Feinberg, Ofra; Tal, Karen

    2009-01-01

    We propose that self-determination theory's conceptualization of internalization may help school reformers overcome the recurrent problem of "the predictable failure of educational reform" (Sarason, 1993). Accordingly, we present a detailed learning and implementation structure to promote teachers' internalization and application of ideas and…

  5. Comparison and combination of "direct" and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories

    Science.gov (United States)

    Guo, Yang; Becker, Ute; Neese, Frank

    2018-03-01

    Local correlation theories have been developed in two main flavors: (1) "direct" local correlation methods apply local approximation to the canonical equations and (2) fragment based methods reconstruct the correlation energy from a series of smaller calculations on subsystems. The present work serves two purposes. First, we investigate the relative efficiencies of the two approaches using the domain-based local pair natural orbital (DLPNO) approach as the "direct" method and the cluster in molecule (CIM) approach as the fragment based approach. Both approaches are applied in conjunction with second-order many-body perturbation theory (MP2) as well as coupled-cluster theory with single-, double- and perturbative triple excitations [CCSD(T)]. Second, we have investigated the possible merits of combining the two approaches by performing CIM calculations with DLPNO methods serving as the method of choice for performing the subsystem calculations. Our cluster-in-molecule approach is closely related to but slightly deviates from approaches in the literature since we have avoided real space cutoffs. Moreover, the neglected distant pair correlations in the previous CIM approach are considered approximately. Six very large molecules (503-2380 atoms) were studied. At both MP2 and CCSD(T) levels of theory, the CIM and DLPNO methods show similar efficiency. However, DLPNO methods are more accurate for 3-dimensional systems. While we have found only little incentive for the combination of CIM with DLPNO-MP2, the situation is different for CIM-DLPNO-CCSD(T). This combination is attractive because (1) the better parallelization opportunities offered by CIM; (2) the methodology is less memory intensive than the genuine DLPNO-CCSD(T) method and, hence, allows for large calculations on more modest hardware; and (3) the methodology is applicable and efficient in the frequently met cases, where the largest subsystem calculation is too large for the canonical CCSD(T) method.

  6. A dynamic developmental theory of attention-deficit/hyperactivity disorder (ADHD) predominantly hyperactive/impulsive and combined subtypes.

    Science.gov (United States)

    Sagvolden, Terje; Johansen, Espen Borgå; Aase, Heidi; Russell, Vivienne Ann

    2005-06-01

    Attention-deficit/hyperactivity disorder (ADHD) is currently defined as a cognitive/behavioral developmental disorder where all clinical criteria are behavioral. Inattentiveness, overactivity, and impulsiveness are presently regarded as the main clinical symptoms. The dynamic developmental behavioral theory is based on the hypothesis that altered dopaminergic function plays a pivotal role by failing to modulate nondopaminergic (primarily glutamate and GABA) signal transmission appropriately. A hypofunctioning mesolimbic dopamine branch produces altered reinforcement of behavior and deficient extinction of previously reinforced behavior. This gives rise to delay aversion, development of hyperactivity in novel situations, impulsiveness, deficient sustained attention, increased behavioral variability, and failure to "inhibit" responses ("disinhibition"). A hypofunctioning mesocortical dopamine branch will cause attention response deficiencies (deficient orienting responses, impaired saccadic eye movements, and poorer attention responses toward a target) and poor behavioral planning (poor executive functions). A hypofunctioning nigrostriatal dopamine branch will cause impaired modulation of motor functions and deficient nondeclarative habit learning and memory. These impairments will give rise to apparent developmental delay, clumsiness, neurological "soft signs," and a "failure to inhibit" responses when quick reactions are required. Hypofunctioning dopamine branches represent the main individual predispositions in the present theory. The theory predicts that behavior and symptoms in ADHD result from the interplay between individual predispositions and the surroundings. The exact ADHD symptoms at a particular time in life will vary and be influenced by factors having positive or negative effects on symptom development. Altered or deficient learning and motor functions will produce special needs for optimal parenting and societal styles. Medication will to some degree

  7. COMBINATION OF GENETIC ALGORITHM AND DEMPSTER-SHAFER THEORY OF EVIDENCE FOR LAND COVER CLASSIFICATION USING INTEGRATION OF SAR AND OPTICAL SATELLITE IMAGERY

    Directory of Open Access Journals (Sweden)

    H. T. Chu

    2012-07-01

    Full Text Available The integration of different kinds of remotely sensed data, in particular Synthetic Aperture Radar (SAR and optical satellite imagery, is considered a promising approach for land cover classification because of the complimentary properties of each data source. However, the challenges are: how to fully exploit the capabilities of these multiple data sources, which combined datasets should be used and which data processing and classification techniques are most appropriate in order to achieve the best results. In this paper an approach, in which synergistic use of a feature selection (FS methods with Genetic Algorithm (GA and multiple classifiers combination based on Dempster-Shafer Theory of Evidence, is proposed and evaluated for classifying land cover features in New South Wales, Australia. Multi-date SAR data, including ALOS/PALSAR, ENVISAT/ASAR and optical (Landsat 5 TM+ images, were used for this study. Textural information were also derived and integrated with the original images. Various combined datasets were generated for classification. Three classifiers, namely Artificial Neural Network (ANN, Support Vector Machines (SVMs and Self-Organizing Map (SOM were employed. Firstly, feature selection using GA was applied for each classifier and dataset to determine the optimal input features and parameters. Then the results of three classifiers on particular datasets were combined using the Dempster-Shafer theory of Evidence. Results of this study demonstrate the advantages of the proposed method for land cover mapping using complex datasets. It is revealed that the use of GA in conjunction with the Dempster-Shafer Theory of Evidence can significantly improve the classification accuracy. Furthermore, integration of SAR and optical data often outperform single-type datasets.

  8. Dexketoprofen/tramadol: randomised double-blind trial and confirmation of empirical theory of combination analgesics in acute pain.

    Science.gov (United States)

    Moore, R Andrew; Gay-Escoda, C; Figueiredo, R; Tóth-Bagi, Z; Dietrich, T; Milleri, S; Torres-Lagares, D; Hill, C M; García-García, A; Coulthard, P; Wojtowicz, A; Matenko, D; Peñarrocha-Diago, M; Cuadripani, S; Pizà-Vallespir, B; Guerrero-Bayón, C; Bertolotti, M; Contini, M P; Scartoni, S; Nizzardo, A; Capriati, A; Maggi, C A

    2015-01-01

    Combination analgesics are effective in acute pain, and a theoretical framework predicts efficacy for combinations. The combination of dexketoprofen and tramadol is untested, but predicted to be highly effective. This was a randomised, double-blind, double-dummy, parallel-group, placebo-controlled, single-dose trial in patients with moderate or severe pain following third molar extraction. There were ten treatment arms, including dexketoprofen trometamol (12.5 mg and 25 mg) and tramadol hydrochloride (37.5 mg and 75 mg), given as four different fixed combinations and single components, with ibuprofen 400 mg as active control as well as a placebo control. The study objective was to evaluate the superior analgesic efficacy and safety of each combination and each single agent versus placebo. The primary outcome was the proportion of patients with at least 50 % max TOTPAR over six hours. 606 patients were randomised and provided at least one post-dose assessment. All combinations were significantly better than placebo. The highest percentage of responders (72%) was achieved in the dexketoprofen trometamol 25 mg plus tramadol hydrochloride 75 mg group (NNT 1.6, 95% confidence interval 1.3 to 2.1). Addition of tramadol to dexketoprofen resulted in greater peak pain relief and greater pain relief over the longer term, particularly at times longer than six hours (median duration of 8.1 h). Adverse events were unremarkable. Dexketoprofen trometamol 25 mg combined with tramadol hydrochloride 75 mg provided good analgesia with rapid onset and long duration in a model of moderate to severe pain. The results of the dose finding study are consistent with pre-trial calculations based on empirical formulae. EudraCT (2010-022798-32); Clinicaltrials.gov (NCT01307020).

  9. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.

    Science.gov (United States)

    Langenbach, K; Heilig, M; Horsch, M; Hasse, H

    2018-03-28

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  10. Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

    Science.gov (United States)

    Langenbach, K.; Heilig, M.; Horsch, M.; Hasse, H.

    2018-03-01

    A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO2). The molecular model of CO2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

  11. Combination of poroelasticity theory and constant strain rate test in modelling land subsidence due to groundwater extraction

    Science.gov (United States)

    Pham, Tien Hung; Rühaak, Wolfram; Sass, Ingo

    2017-04-01

    Extensive groundwater extraction leads to a drawdown of the ground water table. Consequently, soil effective stress increases and can cause land subsidence. Analysis of land subsidence generally requires a numerical model based on poroelasticity theory, which was first proposed by Biot (1941). In the review of regional land subsidence accompanying groundwater extraction, Galloway and Burbey (2011) stated that more research and application is needed in coupling of stress-dependent land subsidence process. In geotechnical field, the constant rate of strain tests (CRS) was first introduced in 1969 (Smith and Wahls 1969) and was standardized in 1982 through the designation D4186-82 by American Society for Testing and Materials. From the reading values of CRS tests, the stress-dependent parameters of poroelasticity model can be calculated. So far, there is no research to link poroelasticity theory with CRS tests in modelling land subsidence due to groundwater extraction. One dimensional CRS tests using conventional compression cell and three dimension CRS tests using Rowe cell were performed. The tests were also modelled by using finite element method with mixed elements. Back analysis technique is used to find the suitable values of hydraulic conductivity and bulk modulus that depend on the stress or void ratio. Finally, the obtained results are used in land subsidence models. Biot, M. A. (1941). "General theory of three-dimensional consolidation." Journal of applied physics 12(2): 155-164. Galloway, D. L. and T. J. Burbey (2011). "Review: Regional land subsidence accompanying groundwater extraction." Hydrogeology Journal 19(8): 1459-1486. Smith, R. E. and H. E. Wahls (1969). "Consolidation under constant rates of strain." Journal of Soil Mechanics & Foundations Div.

  12. Electron transport in polycyclic aromatic hydrocarbons/boron nitride hybrid structures: density functional theory combined with the nonequilibrium Green's function.

    Science.gov (United States)

    Panahi, S F K S; Namiranian, Afshin; Soleimani, Maryam; Jamaati, Maryam

    2018-02-07

    We investigate the electronic transport properties of two types of junction based on single polyaromatic hydrocarbons (PAHs) and PAHs embedded in boron nitride (h-BN) nanoribbons, using nonequilibrium Green's functions (NEGF) and density functional theory (DFT). In the PAH junctions, a Fano resonance line shape at the Fermi energy in the transport feature can be clearly seen. In hybrid junctions, structural asymmetries enable interactions between the electronic states, leading to observation of interface-based transport. Our findings reveal that the interface of PAH/h-BN strongly affects the transport properties of the structures.

  13. Aerodynamic loads calculation and analysis for large scale wind turbine based on combining BEM modified theory with dynamic stall model

    Energy Technology Data Exchange (ETDEWEB)

    Dai, J.C. [College of Mechanical and Electrical Engineering, Central South University, Changsha (China); School of Electromechanical Engineering, Hunan University of Science and Technology, Xiangtan (China); Hu, Y.P.; Liu, D.S. [School of Electromechanical Engineering, Hunan University of Science and Technology, Xiangtan (China); Long, X. [Hara XEMC Windpower Co., Ltd., Xiangtan (China)

    2011-03-15

    The aerodynamic loads for MW scale horizontal-axis wind turbines are calculated and analyzed in the established coordinate systems which are used to describe the wind turbine. In this paper, the blade element momentum (BEM) theory is employed and some corrections, such as Prandtl and Buhl models, are carried out. Based on the B-L semi-empirical dynamic stall (DS) model, a new modified DS model for NACA63-4xx airfoil is adopted. Then, by combing BEM modified theory with DS model, a set of calculation method of aerodynamic loads for large scale wind turbines is proposed, in which some influence factors such as wind shear, tower, tower and blade vibration are considered. The research results show that the presented dynamic stall model is good enough for engineering purpose; the aerodynamic loads are influenced by many factors such as tower shadow, wind shear, dynamic stall, tower and blade vibration, etc, with different degree; the single blade endures periodical changing loads but the variations of the rotor shaft power caused by the total aerodynamic torque in edgewise direction are very small. The presented study approach of aerodynamic loads calculation and analysis is of the university, and helpful for thorough research of loads reduction on large scale wind turbines. (author)

  14. Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states

    Science.gov (United States)

    Alam, Md. Mehboob; Deur, Killian; Knecht, Stefan; Fromager, Emmanuel

    2017-11-01

    The extrapolation technique of Savin [J. Chem. Phys. 140, 18A509 (2014)], which was initially applied to range-separated ground-state-density-functional Hamiltonians, is adapted in this work to ghost-interaction-corrected (GIC) range-separated ensemble density-functional theory (eDFT) for excited states. While standard extrapolations rely on energies that decay as μ-2 in the large range-separation-parameter μ limit, we show analytically that (approximate) range-separated GIC ensemble energies converge more rapidly (as μ-3) towards their pure wavefunction theory values (μ → +∞ limit), thus requiring a different extrapolation correction. The purpose of such a correction is to further improve on the convergence and, consequently, to obtain more accurate excitation energies for a finite (and, in practice, relatively small) μ value. As a proof of concept, we apply the extrapolation method to He and small molecular systems (viz., H2, HeH+, and LiH), thus considering different types of excitations such as Rydberg, charge transfer, and double excitations. Potential energy profiles of the first three and four singlet Σ+ excitation energies in HeH+ and H2, respectively, are studied with a particular focus on avoided crossings for the latter. Finally, the extraction of individual state energies from the ensemble energy is discussed in the context of range-separated eDFT, as a perspective.

  15. Sustainability of Hydrogen Supply Chain. Part II: Prioritizing and Classifying the Sustainability of Hydrogen Supply Chains based on the Combination of Extension Theory and AHP

    DEFF Research Database (Denmark)

    Ren, Jingzheng; Manzardo, Alessandro; Toniolo, Sara

    2013-01-01

    The purpose of this study is to develop a method for prioritizing and classifying the sustainability of hydrogen supply chains and assist decision-making for the stakeholders/decision-makers. Multiple criteria for sustainability assessment of hydrogen supply chains are considered and multiple...... decision-makers are allowed to participate in the decision-making using linguistic terms. In this study, extension theory and analytic hierarchy process are combined to rate the sustainability of hydrogen supply chains. The sustainability of hydrogen supply chains could be identified according...

  16. Predicting High or Low Transfer Efficiency of Photovoltaic Systems Using a Novel Hybrid Methodology Combining Rough Set Theory, Data Envelopment Analysis and Genetic Programming

    Directory of Open Access Journals (Sweden)

    Lee-Ing Tong

    2012-02-01

    Full Text Available Solar energy has become an important energy source in recent years as it generates less pollution than other energies. A photovoltaic (PV system, which typically has many components, converts solar energy into electrical energy. With the development of advanced engineering technologies, the transfer efficiency of a PV system has been increased from low to high. The combination of components in a PV system influences its transfer efficiency. Therefore, when predicting the transfer efficiency of a PV system, one must consider the relationship among system components. This work accurately predicts whether transfer efficiency of a PV system is high or low using a novel hybrid model that combines rough set theory (RST, data envelopment analysis (DEA, and genetic programming (GP. Finally, real data-set are utilized to demonstrate the accuracy of the proposed method.

  17. Aerodynamic characteristics of wings designed with a combined-theory method to cruise at a Mach number of 4.5

    Science.gov (United States)

    Mack, Robert J.

    1988-01-01

    A wind-tunnel study was conducted to determine the capability of a method combining linear theory and shock-expansion theory to design optimum camber surfaces for wings that will fly at high-supersonic/low-hypersonic speeds. Three force models (a flat-plate reference wing and two cambered and twisted wings) were used to obtain aerodynamic lift, drag, and pitching-moment data. A fourth pressure-orifice model was used to obtain surface-pressure data. All four wing models had the same planform, airfoil section, and centerbody area distribution. The design Mach number was 4.5, but data were also obtained at Mach numbers of 3.5 and 4.0. Results of these tests indicated that the use of airfoil thickness as a theoretical optimum, camber-surface design constraint did not improve the aerodynamic efficiency or performance of a wing as compared with a wing that was designed with a zero-thickness airfoil (linear-theory) constraint.

  18. The combination of perception of other individuals and exogenous manipulation of arousal enhances social facilitation as an aftereffect: re-examination of Zajonc’s drive theory

    Science.gov (United States)

    Ukezono, Masatoshi; Nakashima, Satoshi F.; Sudo, Ryunosuke; Yamazaki, Akira; Takano, Yuji

    2015-01-01

    Zajonc’s drive theory postulates that arousal enhanced through the perception of the presence of other individuals plays a crucial role in social facilitation (Zajonc, 1965). Here, we conducted two experiments to examine whether the elevation of arousal through a stepping exercise performed in front of others as an exogenous factor causes social facilitation of a cognitive task in a condition where the presence of others does not elevate the arousal level. In the main experiment, as an “aftereffect of social stimulus,” we manipulated the presence or absence of others and arousal enhancement before participants conducted the primary cognitive task. The results showed that the strongest social facilitation was induced by the combination of the perception of others and arousal enhancement. In a supplementary experiment, we manipulated these factors by adding the presence of another person during the task. The results showed that the effect of the presence of the other during the primary task is enough on its own to produce facilitation of task performance regardless of the arousal enhancement as an aftereffect of social stimulus. Our study therefore extends the framework of Zajonc’s drive theory in that the combination of the perception of others and enhanced arousal as an “aftereffect” was found to induce social facilitation especially when participants did not experience the presence of others while conducting the primary task. PMID:25999906

  19. The combination of perception of other individuals and exogenous manipulation of arousal enhances social facilitation as an aftereffect: re-examination of Zajonc's drive theory.

    Science.gov (United States)

    Ukezono, Masatoshi; Nakashima, Satoshi F; Sudo, Ryunosuke; Yamazaki, Akira; Takano, Yuji

    2015-01-01

    Zajonc's drive theory postulates that arousal enhanced through the perception of the presence of other individuals plays a crucial role in social facilitation (Zajonc, 1965). Here, we conducted two experiments to examine whether the elevation of arousal through a stepping exercise performed in front of others as an exogenous factor causes social facilitation of a cognitive task in a condition where the presence of others does not elevate the arousal level. In the main experiment, as an "aftereffect of social stimulus," we manipulated the presence or absence of others and arousal enhancement before participants conducted the primary cognitive task. The results showed that the strongest social facilitation was induced by the combination of the perception of others and arousal enhancement. In a supplementary experiment, we manipulated these factors by adding the presence of another person during the task. The results showed that the effect of the presence of the other during the primary task is enough on its own to produce facilitation of task performance regardless of the arousal enhancement as an aftereffect of social stimulus. Our study therefore extends the framework of Zajonc's drive theory in that the combination of the perception of others and enhanced arousal as an "aftereffect" was found to induce social facilitation especially when participants did not experience the presence of others while conducting the primary task.

  20. Deriving C4 photosynthetic parameters from combined gas exchange and chlorophyll fluorescence using an Excel tool: theory and practice.

    Science.gov (United States)

    Bellasio, Chandra; Beerling, David J; Griffiths, Howard

    2016-06-01

    The higher photosynthetic potential of C4 plants has led to extensive research over the past 50 years, including C4 -dominated natural biomes, crops such as maize, or for evaluating the transfer of C4 traits into C3 lineages. Photosynthetic gas exchange can be measured in air or in a 2% Oxygen mixture using readily available commercial gas exchange and modulated PSII fluorescence systems. Interpretation of these data, however, requires an understanding (or the development) of various modelling approaches, which limit the use by non-specialists. In this paper we present an accessible summary of the theory behind the analysis and derivation of C4 photosynthetic parameters, and provide a freely available Excel Fitting Tool (EFT), making rigorous C4 data analysis accessible to a broader audience. Outputs include those defining C4 photochemical and biochemical efficiency, the rate of photorespiration, bundle sheath conductance to CO2 diffusion and the in vivo biochemical constants for PEP carboxylase. The EFT compares several methodological variants proposed by different investigators, allowing users to choose the level of complexity required to interpret data. We provide a complete analysis of gas exchange data on maize (as a model C4 organism and key global crop) to illustrate the approaches, their analysis and interpretation. © 2015 John Wiley & Sons Ltd. © 2016 John Wiley & Sons Ltd.

  1. Combining density functional theory calculations, supercomputing, and data-driven methods to design new materials (Conference Presentation)

    Science.gov (United States)

    Jain, Anubhav

    2017-04-01

    Density functional theory (DFT) simulations solve for the electronic structure of materials starting from the Schrödinger equation. Many case studies have now demonstrated that researchers can often use DFT to design new compounds in the computer (e.g., for batteries, catalysts, and hydrogen storage) before synthesis and characterization in the lab. In this talk, I will focus on how DFT calculations can be executed on large supercomputing resources in order to generate very large data sets on new materials for functional applications. First, I will briefly describe the Materials Project, an effort at LBNL that has virtually characterized over 60,000 materials using DFT and has shared the results with over 17,000 registered users. Next, I will talk about how such data can help discover new materials, describing how preliminary computational screening led to the identification and confirmation of a new family of bulk AMX2 thermoelectric compounds with measured zT reaching 0.8. I will outline future plans for how such data-driven methods can be used to better understand the factors that control thermoelectric behavior, e.g., for the rational design of electronic band structures, in ways that are different from conventional approaches.

  2. Using a combined protection motivation theory and health action process approach intervention to promote exercise during pregnancy.

    Science.gov (United States)

    Gaston, Anca; Prapavessis, Harry

    2014-04-01

    Despite the benefits of exercise during pregnancy, many expectant mothers are inactive. This study examined whether augmenting a protection motivation theory (PMT) intervention with a Health Action Process Approach can enhance exercise behavior change among pregnant women. Sixty inactive pregnant women were randomly assigned to one of three treatment groups: PMT-only, PMT + action-planning, and PMT + action-and-coping-planning. Week-long objective (accelerometer) and subjective (self-report) exercise measures were collected at baseline, and at 1- and 4-weeks post-intervention. Repeated-measures ANOVAs demonstrated that while all participants reported increased exercise from baseline to 1-week post-intervention, participants in both planning groups were significantly more active (p < .001) than those in the PMT-only group by 4-weeks post-intervention (η (2) = .13 and .15 for accelerometer and self-report data, respectively). In conclusion, augmenting a PMT intervention with action or action-and-coping-planning can enhance exercise behavior change in pregnant women.

  3. Optical Properties of Complex Plasmonic Materials Studied with Extended Effective Medium Theories Combined with Rigorous Coupled Wave Analysis

    Directory of Open Access Journals (Sweden)

    Elie Nadal

    2018-02-01

    Full Text Available In this study we fabricate gold nanocomposites and model their optical properties. The nanocomposites are either homogeneous films or gratings containing gold nanoparticles embedded in a polymer matrix. The samples are fabricated using a recently developed technique making use of laser interferometry. The gratings present original plasmon-enhanced diffraction properties. In this work, we develop a new approach to model the optical properties of our composites. We combine the extended Maxwell–Garnett model of effective media with the Rigorous Coupled Wave Analysis (RCWA method and compute both the absorption spectra and the diffraction efficiency spectra of the gratings. We show that such a semi-analytical approach allows us to reproduce the original plasmonic features of the composites and can provide us with details about their inner structure. Such an approach, considering reasonably high particle concentrations, could be a simple and efficient tool to study complex micro-structured system based on plasmonic components, such as metamaterials.

  4. Combined angle-resolved X-ray photoelectron spectroscopy, density functional theory and kinetic study of nitridation of gallium arsenide

    Science.gov (United States)

    Mehdi, H.; Monier, G.; Hoggan, P. E.; Bideux, L.; Robert-Goumet, C.; Dubrovskii, V. G.

    2018-01-01

    The high density of interface and surface states that cause the strong Fermi pinning observed on GaAs surfaces can be reduced by depositing GaN ultra-thin films on GaAs. To further improve this passivation, it is necessary to investigate the nitridation phenomena by identifying the distinct steps occurring during the process and to understand and quantify the growth kinetics of GaAs nitridation under different conditions. Nitridation of the cleaned GaAs substrate was performed using N2 plasma source. Two approaches have been combined. Firstly, an AR-XPS (Angle Resolved X-ray Photoelectron Spectroscopy) study is carried out to determine the chemical environments of the Ga, As and N atoms and the composition depth profile of the GaN thin film which allow us to summarize the nitridation process in three steps. Moreover, the temperature and time treatment have been investigated and show a significant impact on the formation of the GaN layer. The second approach is a refined growth kinetic model which better describes the GaN growth as a function of the nitridation time. This model clarifies the exchange mechanism of arsenic with nitrogen atoms at the GaN/GaAs interface and the phenomenon of quasi-saturation of the process observed experimentally.

  5. An Excel tool for deriving key photosynthetic parameters from combined gas exchange and chlorophyll fluorescence: theory and practice.

    Science.gov (United States)

    Bellasio, Chandra; Beerling, David J; Griffiths, Howard

    2016-06-01

    Combined photosynthetic gas exchange and modulated fluorometres are widely used to evaluate physiological characteristics associated with phenotypic and genotypic variation, whether in response to genetic manipulation or resource limitation in natural vegetation or crops. After describing relatively simple experimental procedures, we present the theoretical background to the derivation of photosynthetic parameters, and provide a freely available Excel-based fitting tool (EFT) that will be of use to specialists and non-specialists alike. We use data acquired in concurrent variable fluorescence-gas exchange experiments, where A/Ci and light-response curves have been measured under ambient and low oxygen. From these data, the EFT derives light respiration, initial PSII (photosystem II) photochemical yield, initial quantum yield for CO2 fixation, fraction of incident light harvested by PSII, initial quantum yield for electron transport, electron transport rate, rate of photorespiration, stomatal limitation, Rubisco (ribulose 1·5-bisphosphate carboxylase/oxygenase) rate of carboxylation and oxygenation, Rubisco specificity factor, mesophyll conductance to CO2 diffusion, light and CO2 compensation point, Rubisco apparent Michaelis-Menten constant, and Rubisco CO2 -saturated carboxylation rate. As an example, a complete analysis of gas exchange data on tobacco plants is provided. We also discuss potential measurement problems and pitfalls, and suggest how such empirical data could subsequently be used to parameterize predictive photosynthetic models. © 2015 John Wiley & Sons Ltd.

  6. Predicting the Oxygen-Binding Properties of Platinum Nanoparticle Ensembles by Combining High-Precision Electron Microscopy and Density Functional Theory.

    Science.gov (United States)

    Aarons, Jolyon; Jones, Lewys; Varambhia, Aakash; MacArthur, Katherine E; Ozkaya, Dogan; Sarwar, Misbah; Skylaris, Chris-Kriton; Nellist, Peter D

    2017-07-12

    Many studies of heterogeneous catalysis, both experimental and computational, make use of idealized structures such as extended surfaces or regular polyhedral nanoparticles. This simplification neglects the morphological diversity in real commercial oxygen reduction reaction (ORR) catalysts used in fuel-cell cathodes. Here we introduce an approach that combines 3D nanoparticle structures obtained from high-throughput high-precision electron microscopy with density functional theory. Discrepancies between experimental observations and cuboctahedral/truncated-octahedral particles are revealed and discussed using a range of widely used descriptors, such as electron-density, d-band centers, and generalized coordination numbers. We use this new approach to determine the optimum particle size for which both detrimental surface roughness and particle shape effects are minimized.

  7. Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.

    Science.gov (United States)

    Yu, Yang; Li, Chen; Yin, Bing; Li, Jian-Li; Huang, Yuan-He; Wen, Zhen-Yi; Jiang, Zhen-Yi

    2013-08-07

    The structures, relative stabilities, vertical electron detachment energies, and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry density functional theory and ab initio study. Several exchange-correlation functionals are utilized to investigate the effects of different halogen elements and central atoms on the properties of the clusters. These clusters are shown to possess stronger superhalogen properties than previously reported dinuclear superhalogens. The calculated exchange coupling constants indicate the antiferromagnetic coupling between the transition metal ions. Spin density analysis demonstrates the importance of spin delocalization in determining the strengths of various couplings. Spin frustration is shown to occur in some of the trinuclear superhalogens. The coexistence of strong superhalogen properties and spin frustration implies the possibility of trinuclear superhalogens working as the building block of new materials of novel magnetic properties.

  8. Solution Structures of Highly Active Molecular Ir Water-Oxidation Catalysts from Density Functional Theory Combined with High-Energy X-ray Scattering and EXAFS Spectroscopy.

    Science.gov (United States)

    Yang, Ke R; Matula, Adam J; Kwon, Gihan; Hong, Jiyun; Sheehan, Stafford W; Thomsen, Julianne M; Brudvig, Gary W; Crabtree, Robert H; Tiede, David M; Chen, Lin X; Batista, Victor S

    2016-05-04

    The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Ir dimers with mono-μ-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by (1)H and (17)O NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.

  9. Investigation on the neutral and anionic BxAlyH2 (x + y = 7, 8, 9) clusters using density functional theory combined with photoelectron spectroscopy.

    Science.gov (United States)

    Ding, Li-Ping; Shao, Peng; Lu, Cheng; Zhang, Fang-Hui; Ding, Lei; Yuan, Tao Li

    2016-08-17

    The structure and bonding nature of neutral and negatively charged BxAlyH2 (x + y = 7, 8, 9) clusters are investigated with the aid of previously published experimental photoelectron spectra combined with the present density functional theory calculations. The comparison between the experimental photoelectron spectra and theoretical simulated spectra helps to identify the ground state structures. The accuracy of the obtained ground state structures is further verified by calculating their adiabatic electron affinities and vertical detachment energies and comparing them against available experimental data. The results show that the structures of BxAlyH2 transform from three-dimensional to planar structures as the number of boron atoms increases. Moreover, boron atoms tend to bind together forming Bn units. The hydrogen atoms prefer to bind with boron atoms rather than aluminum atoms. The analyses of the molecular orbital on the ground state structures further support the abovementioned results.

  10. Cooling-load prediction by the combination of rough set theory and an artificial neural-network based on data-fusion technique

    International Nuclear Information System (INIS)

    Hou Zhijian; Lian Zhiwei; Yao Ye; Yuan Xinjian

    2006-01-01

    A novel method integrating rough sets (RS) theory and an artificial neural network (ANN) based on data-fusion technique is presented to forecast an air-conditioning load. Data-fusion technique is the process of combining multiple sensors data or related information to estimate or predict entity states. In this paper, RS theory is applied to find relevant factors to the load, which are used as inputs of an artificial neural-network to predict the cooling load. To improve the accuracy and enhance the robustness of load forecasting results, a general load-prediction model, by synthesizing multi-RSAN (MRAN), is presented so as to make full use of redundant information. The optimum principle is employed to deduce the weights of each RSAN model. Actual prediction results from a real air-conditioning system show that, the MRAN forecasting model is better than the individual RSAN and moving average (AMIMA) ones, whose relative error is within 4%. In addition, individual RSAN forecasting results are better than that of ARIMA

  11. Combining linear polarization spectroscopy and the Representative Layer Theory to measure the Beer-Lambert law absorbance of highly scattering materials.

    Science.gov (United States)

    Gobrecht, Alexia; Bendoula, Ryad; Roger, Jean-Michel; Bellon-Maurel, Véronique

    2015-01-01

    Visible and Near Infrared (Vis-NIR) Spectroscopy is a powerful non destructive analytical method used to analyze major compounds in bulk materials and products and requiring no sample preparation. It is widely used in routine analysis and also in-line in industries, in-vivo with biomedical applications or in-field for agricultural and environmental applications. However, highly scattering samples subvert Beer-Lambert law's linear relationship between spectral absorbance and the concentrations. Instead of spectral pre-processing, which is commonly used by Vis-NIR spectroscopists to mitigate the scattering effect, we put forward an optical method, based on Polarized Light Spectroscopy to improve the absorbance signal measurement on highly scattering samples. This method selects part of the signal which is less impacted by scattering. The resulted signal is combined in the Absorption/Remission function defined in Dahm's Representative Layer Theory to compute an absorbance signal fulfilling Beer-Lambert's law, i.e. being linearly related to concentration of the chemicals composing the sample. The underpinning theories have been experimentally evaluated on scattering samples in liquid form and in powdered form. The method produced more accurate spectra and the Pearson's coefficient assessing the linearity between the absorbance spectra and the concentration of the added dye improved from 0.94 to 0.99 for liquid samples and 0.84-0.97 for powdered samples. Copyright © 2014 Elsevier B.V. All rights reserved.

  12. [Analysis on traditional Chinese medicine prescriptions treating cancer-related anorexia syndrome based on grey system theory combined with multivariate analysis method and discovery of new prescriptions].

    Science.gov (United States)

    Chen, Song-Lin; Chen, Cong; Zhu, Hui; Li, Jing; Pang, Yan

    2016-01-01

    Cancer-related anorexia syndrome (CACS) is one of the main causes for death at present as well as a syndrome seriously harming patients' quality of life, treatment effect and survival time. In current clinical researches, there are fewer reports about empirical traditional Chinese medicine(TCM) prescriptions and patent prescriptions treating CACS, and prescription rules are rarely analyzed in a systematic manner. As the hidden rules are not excavated, it is hard to have an innovative discovery and knowledge of clinical medication. In this paper, the grey screening method combined with the multivariate statistical method was used to build the ″CACS prescriptions database″. Based on the database, totally 359 prescriptions were selected, the frequency of herbs in prescription was determined, and commonly combined drugs were evolved into 4 new prescriptions for different syndromes. Prescriptions of TCM in treatment of CACS gave priority to benefiting qi for strengthening spleen, also laid emphasis on replenishing kidney essence, dispersing stagnated liver-qi and dispersing lung-qi. Moreover, interdependence and mutual promotion of yin and yang should be taken into account to reflect TCM's holism and theory for treatment based on syndrome differentiation. The grey screening method, as a valuable traditional Chinese medicine research-supporting method, can be used to subjectively and objectively analyze prescription rules; and the new prescriptions can provide reference for the clinical use of TCM for treating CACS and the drug development. Copyright© by the Chinese Pharmaceutical Association.

  13. Combination of classical test theory (CTT) and item response theory (IRT) analysis to study the psychometric properties of the French version of the Quality of Life Enjoyment and Satisfaction Questionnaire-Short Form (Q-LES-Q-SF).

    Science.gov (United States)

    Bourion-Bédès, Stéphanie; Schwan, Raymund; Epstein, Jonathan; Laprevote, Vincent; Bédès, Alex; Bonnet, Jean-Louis; Baumann, Cédric

    2015-02-01

    The study aimed to examine the construct validity and reliability of the Quality of Life Enjoyment and Satisfaction Questionnaire-Short Form (Q-LES-Q-SF) according to both classical test and item response theories. The psychometric properties of the French version of this instrument were investigated in a cross-sectional, multicenter study. A total of 124 outpatients with a substance dependence diagnosis participated in the study. Psychometric evaluation included descriptive analysis, internal consistency, test-retest reliability, and validity. The dimensionality of the instrument was explored using a combination of the classical test, confirmatory factor analysis (CFA), and an item response theory analysis, the Person Separation Index (PSI), in a complementary manner. The results of the Q-LES-Q-SF revealed that the questionnaire was easy to administer and the acceptability was good. The internal consistency and the test-retest reliability were 0.9 and 0.88, respectively. All items were significantly correlated with the total score and the SF-12 used in the study. The CFA with one factor model was good, and for the unidimensional construct, the PSI was found to be 0.902. The French version of the Q-LES-Q-SF yielded valid and reliable clinical assessments of the quality of life for future research and clinical practice involving French substance abusers. In response to recent questioning regarding the unidimensionality or bidimensionality of the instrument and according to the underlying theoretical unidimensional construct used for its development, this study suggests the Q-LES-Q-SF as a one-dimension questionnaire in French QoL studies.

  14. Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lara-Castells, María Pilar de, E-mail: Pilar.deLara.Castells@csic.es; Bartolomei, Massimiliano [Instituto de Física Fundamental (C.S.I.C.), Serrano 123, E-28006 Madrid (Spain); Mitrushchenkov, Alexander O. [Laboratoire Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France); Stoll, Hermann [Institut für Theoretische Chemie, Universität Stuttgart, D-70550 Stuttgart (Germany)

    2015-11-21

    The accuracy and transferability of the electronic structure approach combining dispersionless density functional theory (DFT) [K. Pernal et al., Phys. Rev. Lett. 103, 263201 (2009)] with the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)], are validated for the interaction between the noble-gas Ne, Ar, Kr, and Xe atoms and coronene/graphene/graphite surfaces. This approach uses the method of increments for surface cluster models to extract intermonomer dispersion-like (2- and 3-body) correlation terms at coupled cluster singles and doubles and perturbative triples level, while periodic dispersionless density functionals calculations are performed to estimate the sum of Hartree-Fock and intramonomer correlation contributions. Dispersion energy contributions are also obtained using DFT-based symmetry-adapted perturbation theory [SAPT(DFT)]. An analysis of the structure of the X/surface (X = Ne, Ar, Kr, and Xe) interaction energies shows the excellent transferability properties of the leading intermonomer correlation contributions across the sequence of noble-gas atoms, which are also discussed using the Drude oscillator model. We further compare these results with van der Waals-(vdW)-corrected DFT-based approaches. As a test of accuracy, the energies of the low-lying nuclear bound states supported by the laterally averaged X/graphite potentials (X = {sup 3}He, {sup 4}He, Ne, Ar, Kr, and Xe) are calculated and compared with the best estimations from experimental measurements and an atom-bond potential model using the ab initio-assisted fine-tuning of semiempirical parameters. The bound-state energies determined differ by less than 6–7 meV (6%) from the atom-bond potential model. The crucial importance of including incremental 3-body dispersion-type terms is clearly demonstrated, showing that the SAPT(DFT) approach effectively account for these terms. With the deviations from the best experimental-based estimations smaller than 2.3 meV (1.9%), the

  15. Theory-based interventions combining mental simulation and planning techniques to improve physical activity: Null results from two randomized controlled trials

    Directory of Open Access Journals (Sweden)

    Carine Meslot

    2016-11-01

    Full Text Available Interventions to assist individuals in initiating and maintaining regular participation in physical activity are not always effective. Psychological and behavioural theories advocate the importance of both motivation and volition in interventions to change health behaviour. Interventions adopting self-regulation strategies that foster motivational and volitional components may, therefore, have utility in promoting regular physical activity participation. We tested the efficacy of an intervention adopting motivational (mental simulation and volitional (implementation intentions components to promote a regular physical activity in two studies. Study 1 adopted a cluster randomised design students in which participants (n=92 were allocated to one of three conditions: mental simulation plus implementation intention, implementation intention only, or control. Study 2 adopted a 2 (mental simulation vs. no mental simulation x 2 (implementation intention vs. no implementation intention randomised controlled design in which fitness centre attendees (n=184 were randomly allocated one of four conditions: mental simulation only, implementation intention only, combined, or control. Physical activity behaviour was measured by self-report (Study 1 or fitness centre attendance (Study 2 at 4- (Studies 1 and 2 and 19- (Study 2 only week follow-up periods. Findings revealed no statistically significant main or interactive effects of the mental simulation and implementation intention conditions on physical activity outcomes in either study. Despite adopting protocols consistent with previous research, utilizing objective behavioural measures, and having sufficient statistical power, results provide evidence that, in contrast to previous findings, the motivational and volitional components are not effective in changing physical activity behaviour. Future research should focus on the format of the intervention components, test the effects of each component alone and

  16. Combining density functional theory (DFT) and collision cross-section (CCS) calculations to analyze the gas-phase behaviour of small molecules and their protonation site isomers.

    Science.gov (United States)

    Boschmans, Jasper; Jacobs, Sam; Williams, Jonathan P; Palmer, Martin; Richardson, Keith; Giles, Kevin; Lapthorn, Cris; Herrebout, Wouter A; Lemière, Filip; Sobott, Frank

    2016-06-20

    Electrospray ion mobility-mass spectrometry (IM-MS) data show that for some small molecules, two (or even more) ions with identical sum formula and mass, but distinct drift times are observed. In spite of showing their own unique and characteristic fragmentation spectra in MS/MS, no configurational or constitutional isomers are found to be present in solution. Instead the observation and separation of such ions appears to be inherent to their gas-phase behaviour during ion mobility experiments. The origin of multiple drift times is thought to be the result of protonation site isomers ('protomers'). Although some important properties of protomers have been highlighted by other studies, correlating the experimental collision cross-sections (CCSs) with calculated values has proven to be a major difficulty. As a model, this study uses the pharmaceutical compound melphalan and a number of related molecules with alternative (gas-phase) protonation sites. Our study combines density functional theory (DFT) calculations with modified MobCal methods (e.g. nitrogen-based Trajectory Method algorithm) for the calculation of theoretical CCS values. Calculated structures can be linked to experimentally observed signals, and a strong correlation is found between the difference of the calculated dipole moments of the protomer pairs and their experimental CCS separation.

  17. Intrinsic Instability of Cs2In(I)M(III)X6 (M = Bi, Sb; X = Halogen) Double Perovskites: A Combined Density Functional Theory and Experimental Study.

    Science.gov (United States)

    Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Wang, Jianbo; Mitzi, David B; Yan, Yanfa

    2017-05-03

    Recently, there has been substantial interest in developing double-B-cation halide perovskites, which hold the potential to overcome the toxicity and instability issues inherent within emerging lead halide-based solar absorber materials. Among all double perovskites investigated, In(I)-based Cs 2 InBiCl 6 and Cs 2 InSbCl 6 have been proposed as promising thin-film photovoltaic absorber candidates, with computational examination predicting suitable materials properties, including direct bandgap and small effective masses for both electrons and holes. In this study, we report the intrinsic instability of Cs 2 In(I)M(III)X 6 (M = Bi, Sb; X = halogen) double perovskites by a combination of density functional theory and experimental study. Our results suggest that the In(I)-based double perovskites are unstable against oxidation into In(III)-based compounds. Further, the results show the need to consider reduction-oxidation (redox) chemistry when predicting stability of new prospective electronic materials, especially when less common oxidation states are involved.

  18. CO(2) capture properties of alkaline earth metal oxides and hydroxides: A combined density functional theory and lattice phonon dynamics study.

    Science.gov (United States)

    Duan, Yuhua; Sorescu, Dan C

    2010-08-21

    By combining density functional theory and lattice phonon dynamics, the thermodynamic properties of CO(2) absorption/desorption reactions with alkaline earth metal oxides MO and hydroxides M(OH)(2) (where M=Be,Mg,Ca,Sr,Ba) are analyzed. The heats of reaction and the chemical potential changes of these solids upon CO(2) capture reactions have been calculated and used to evaluate the energy costs. Relative to CaO, a widely used system in practical applications, MgO and Mg(OH)(2) systems were found to be better candidates for CO(2) sorbent applications due to their lower operating temperatures (600-700 K). In the presence of H(2)O, MgCO(3) can be regenerated into Mg(OH)(2) at low temperatures or into MgO at high temperatures. This transition temperature depends not only on the CO(2) pressure but also on the H(2)O pressure. Based on our calculated results and by comparing with available experimental data, we propose a general computational search methodology which can be used as a general scheme for screening a large number of solids for use as CO(2) sorbents.

  19. Fast clustering algorithm for large ECG data sets based on CS theory in combination with PCA and K-NN methods.

    Science.gov (United States)

    Balouchestani, Mohammadreza; Krishnan, Sridhar

    2014-01-01

    Long-term recording of Electrocardiogram (ECG) signals plays an important role in health care systems for diagnostic and treatment purposes of heart diseases. Clustering and classification of collecting data are essential parts for detecting concealed information of P-QRS-T waves in the long-term ECG recording. Currently used algorithms do have their share of drawbacks: 1) clustering and classification cannot be done in real time; 2) they suffer from huge energy consumption and load of sampling. These drawbacks motivated us in developing novel optimized clustering algorithm which could easily scan large ECG datasets for establishing low power long-term ECG recording. In this paper, we present an advanced K-means clustering algorithm based on Compressed Sensing (CS) theory as a random sampling procedure. Then, two dimensionality reduction methods: Principal Component Analysis (PCA) and Linear Correlation Coefficient (LCC) followed by sorting the data using the K-Nearest Neighbours (K-NN) and Probabilistic Neural Network (PNN) classifiers are applied to the proposed algorithm. We show our algorithm based on PCA features in combination with K-NN classifier shows better performance than other methods. The proposed algorithm outperforms existing algorithms by increasing 11% classification accuracy. In addition, the proposed algorithm illustrates classification accuracy for K-NN and PNN classifiers, and a Receiver Operating Characteristics (ROC) area of 99.98%, 99.83%, and 99.75% respectively.

  20. A novel method for investigating the repulsive and attractive parts of cubic equations of state and the combining rules used with the vdW-1f theory

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Philippos, Coutsikos; Vassilis, Harismiadis

    1998-01-01

    A novel method for investigating the performance of the repulsive and attractive terms of a cubic equation of state (EoS) along with different combining rules for the cross covolume (b(12)) and cross-energy (a(12)) parameters used with the van der Waals one-fluid theory is presented. The method...... utilizes the EoS-derived liquid-phase activity coefficient which is separated into a combinatorial-free volume part (gamma(c-fv)), obtained from the repulsive term of the EoS, and a residual one (gamma(res)) obtained from the attractive term. Athermal systems (alkane solutions) are used where we can......(c-fv) values with the experimental ones suggest that the van der Waals (vdW) repulsive term is applicable not only to mixtures with spherical molecules, as originally suggested by van der Waals, but also to very asymmetric ones. On the other hand, the attractive term leads to gamma(res) values that can...

  1. Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory.

    Science.gov (United States)

    Yuvaraj, Surya V J; Zhdanov, Ravil K; Belosludov, Rodion V; Belosludov, Vladimir R; Subbotin, Oleg S; Kanie, Kiyoshi; Funaki, Kenji; Muramatsu, Atsushi; Nakamura, Takashi; Kawazoe, Yoshiyuki

    2015-10-08

    The solvation behavior of task-specific ionic liquids (TSILs) containing a common, L-histidine derived imidazolium cation [C20H28N3O3](+) and different anions, bromide-[Br](-) and bis(trifluoromethylsulfonyl)amide-[NTF2](-), in water is examined, computationally. These amino acid functionalized ionic liquids (ILs) are taken into account because of their ability to react with rare earth metal salts. It has been noted that the TSIL with [Br](-) is more soluble than its counterpart TSIL with [NTF2](-), experimentally. In this theoretical work, the combined classical molecular dynamics (CMD) and density functional theory (DFT) calculations are performed to study the behavior of the bulk phase of these two TSILs in the vicinity of water (H2O) molecules with different concentrations. Initially, all the constructed systems are equilibrated using the CMD method. The final structures of the equilibrated systems are extracted for DFT calculations. Under CMD operation, the radial distribution function (RDF) plots and viscosity of TSILs are analyzed to understand the effect of water on TSILs. In the DFT regime, binding energy per H2O, charge transfer, charge density mapping, and electronic density of states (EDOS) analyses are done. The CMD results along with the DFT results are consolidated to support the hydrophilic and hydrophobic nature of the TSILs. Interestingly, we have found a strong correlation between the viscosity and the EDOS results that leads to an understanding of the hydration properties of the TSILs.

  2. A hybrid method combining the Time-Domain Method of Moments, the Time-Domain Uniform Theory of Diffraction and the FDTD

    Directory of Open Access Journals (Sweden)

    A. Becker

    2007-06-01

    Full Text Available In this paper a hybrid method combining the Time-Domain Method of Moments (TD-MoM, the Time-Domain Uniform Theory of Diffraction (TD-UTD and the Finite-Difference Time-Domain Method (FDTD is presented. When applying this new hybrid method, thin-wire antennas are modeled with the TD-MoM, inhomogeneous bodies are modelled with the FDTD and large perfectly conducting plates are modelled with the TD-UTD. All inhomogeneous bodies are enclosed in a so-called FDTD-volume and the thin-wire antennas can be embedded into this volume or can lie outside. The latter avoids the simulation of white space between antennas and inhomogeneous bodies. If the antennas are positioned into the FDTD-volume, their discretization does not need to agree with the grid of the FDTD. By using the TD-UTD large perfectly conducting plates can be considered efficiently in the solution-procedure. Thus this hybrid method allows time-domain simulations of problems including very different classes of objects, applying the respective most appropriate numerical techniques to every object.

  3. Novel Role of Rural Official Organization in the Biomass-Based Power Supply Chain in China: A Combined Game Theory and Agent-Based Simulation Approach

    Directory of Open Access Journals (Sweden)

    Kaiyan Luo

    2016-08-01

    Full Text Available Developing biomass-based power generation is helpful for China to reduce the dependence on fossil fuels and to release the targets of carbon emission peak. The decentralized farming method leads to Chinese farmers’ weak willingness to collect and sell crop residues to biomass-based power plants. The purpose of this paper is to solve the issue by proposing a novel biomass feedstock supply model with China’s rural official organization—villagers’ committee, which has great influence on villagers’ decision making. Introducing it into the biomass-based power supply chain is beneficial to motivating farmers’ supplying enthusiasm. A combined game theory and agent-based simulation approach is applied to study the effectiveness of this new supply model. Multiple simulation scenarios are built to study impacts of different simulation parameters, and results show that farmers tend to supply more biomass material for electricity production in the proposed villagers’ committee model, compared with the two conventional supply models, direct-deal and broker models. The supply model incorporating the rural official organization can ensure the feedstock sufficiency for plants. A proper model design depends on the feed-in tariff subsidy for biomass-based electricity, feedstock shipping distance, performance appraisal system of the villagers’ committee, as well as farmers’ utility weights on net income and public service improvement.

  4. Microscopic origin of the charge transfer in single crystals based on thiophene derivatives: A combined NEXAFS and density functional theory approach

    Energy Technology Data Exchange (ETDEWEB)

    Chernenkaya, A., E-mail: chernenk@uni-mainz.de [Graduate School Materials Science in Mainz, 55128 Mainz (Germany); Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Morherr, A.; Witt, S.; Krellner, C. [Physikalisches Institut, Goethe-Universität, 60438 Frankfurt am Main (Germany); Backes, S.; Popp, W.; Jeschke, H. O.; Valentí, R. [Institut für Theoretische Physik, Goethe-Universität, 60438 Frankfurt am Main (Germany); Kozina, X.; Nepijko, S. A.; Elmers, H. J.; Schönhense, G. [Institut für Physik, Johannes Gutenberg-Universität, 55099 Mainz (Germany); Bolte, M. [Institut für Anorganische Chemie, Goethe-Universität, 60438 Frankfurt am Main (Germany); Medjanik, K.; Öhrwall, G. [MAX-IV Laboratory, Lund University, 22100 Lund (Sweden); Baumgarten, M. [Max-Planck-Institut für Polymerforschung, 55021 Mainz (Germany)

    2016-07-21

    We have investigated the charge transfer mechanism in single crystals of DTBDT-TCNQ and DTBDT-F{sub 4}TCNQ (where DTBDT is dithieno[2,3-d;2′,3′-d′] benzo[1,2-b;4,5-b′]dithiophene) using a combination of near-edge X-ray absorption spectroscopy (NEXAFS) and density functional theory calculations (DFT) including final state effects beyond the sudden state approximation. In particular, we find that a description that considers the partial screening of the electron-hole Coulomb correlation on a static level as well as the rearrangement of electronic density shows excellent agreement with experiment and allows to uncover the details of the charge transfer mechanism in DTBDT-TCNQ and DTBDT-F{sub 4} TCNQ, as well as a reinterpretation of previous NEXAFS data on pure TCNQ. Finally, we further show that almost the same quality of agreement between theoretical results and experiment is obtained by the much faster Z+1/2 approximation, where the core hole effects are simulated by replacing N or F with atomic number Z with the neighboring atom with atomic number Z+1/2.

  5. X-ray Absorption Spectroscopy Combined with Time-Dependent Density Functional Theory Elucidates Differential Substitution Pathways of Au(I) and Au(III) with Zinc Fingers.

    Science.gov (United States)

    Abbehausen, Camilla; de Paiva, Raphael Enoque Ferraz; Bjornsson, Ragnar; Gomes, Saulo Quintana; Du, Zhifeng; Corbi, Pedro Paulo; Lima, Frederico Alves; Farrell, Nicholas

    2018-01-02

    A combination of two elements' (Au, Zn) X-ray absorption spectroscopy (XAS) and time-dependent density functional theory (TD-DFT) allowed the elucidation of differential substitution pathways of Au(I) and Au(III) compounds reacting with biologically relevant zinc fingers (ZnFs). Gold L 3 -edge XAS probed the interaction of gold and the C-terminal Cys 2 HisCys finger of the HIV-1 nucleocapsid protein NCp7, and the Cys 2 His 2 human transcription factor Sp1. The use of model compounds helped assign oxidation states and the identity of the gold-bound ligands. The computational studies accurately reproduced the experimental XAS spectra and allowed the proposition of structural models for the interaction products at early time points. The direct electrophilic attack on the ZnF by the highly thiophilic Au(I) resulted in a linear P-Au-Cys coordination sphere after zinc ejection whereas for the Sp1, loss of PEt 3 results in linear Cys-Au-Cys or Cys-Au-His arrangements. Reactions with Au(III) compounds, on the other hand, showed multiple binding modes. Prompt reaction between [AuCl(dien)] 2+ and [Au(dien)(DMAP)] 3+ with Sp1 showed a partially reduced Au center and a final linear His-Au-His coordination. Differently, in the presence of NCp7, [AuCl(dien)] 2+ readily reduces to Au(I) and changes from square-planar to linear geometry with Cys-Au-His coordination, while [Au(dien)(DMAP)] 3+ initially maintains its Au(III) oxidation state and square-planar geometry and the same first coordination sphere. The latter is the first observation of a "noncovalent" interaction of a Au(III) complex with a zinc finger and confirms early hypotheses that stabilization of Au(III) occurs with N-donor ligands. Modification of the zinc coordination sphere, suggesting full or partial zinc ejection, is observed in all cases, and for [Au(dien)(DMAP)] 3+ this represents a novel mechanism for nucleocapsid inactivation. The combination of XAS and TD-DFT presents the first direct experimental

  6. Winning Combinations

    DEFF Research Database (Denmark)

    Criscuolo, Paola; Laursen, Keld; Reichstein, Toke

    2018-01-01

    examine the effectiveness of different combinations of knowledge sources for achieving innovative performance. We suggest that combinations involving integrative search strategies – combining internal and external knowledge – are the most likely to generate product and process innovation. In this context......, we present the idea that cognitively distant knowledge sources are helpful for innovation only when used in conjunction with knowledge sources that are closer to the focal firm. We also find important differences between product and process innovation, with the former associated with broader searches......Searching for the most rewarding sources of innovative ideas remains a key challenge in management of technological innovation. Yet, little is known about which combinations of internal and external knowledge sources are triggers for innovation. Extending theories about searching for innovation, we...

  7. Optical excitation and electron relaxation dynamics at semiconductor surfaces: a combined approach of density functional and density matrix theory applied to the silicon (001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Buecking, N

    2007-11-05

    In this work a new theoretical formalism is introduced in order to simulate the phononinduced relaxation of a non-equilibrium distribution to equilibrium at a semiconductor surface numerically. The non-equilibrium distribution is effected by an optical excitation. The approach in this thesis is to link two conventional, but approved methods to a new, more global description: while semiconductor surfaces can be investigated accurately by density-functional theory, the dynamical processes in semiconductor heterostructures are successfully described by density matrix theory. In this work, the parameters for density-matrix theory are determined from the results of density-functional calculations. This work is organized in two parts. In Part I, the general fundamentals of the theory are elaborated, covering the fundamentals of canonical quantizations as well as the theory of density-functional and density-matrix theory in 2{sup nd} order Born approximation. While the formalism of density functional theory for structure investigation has been established for a long time and many different codes exist, the requirements for density matrix formalism concerning the geometry and the number of implemented bands exceed the usual possibilities of the existing code in this field. A special attention is therefore attributed to the development of extensions to existing formulations of this theory, where geometrical and fundamental symmetries of the structure and the equations are used. In Part II, the newly developed formalism is applied to a silicon (001)surface in a 2 x 1 reconstruction. As first step, density-functional calculations using the LDA functional are completed, from which the Kohn-Sham-wave functions and eigenvalues are used to calculate interaction matrix elements for the electron-phonon-coupling an the optical excitation. These matrix elements are determined for the optical transitions from valence to conduction bands and for electron-phonon processes inside the

  8. Modelling the Factors that Affect Individuals' Utilisation of Online Learning Systems: An Empirical Study Combining the Task Technology Fit Model with the Theory of Planned Behaviour

    Science.gov (United States)

    Yu, Tai-Kuei; Yu, Tai-Yi

    2010-01-01

    Understanding learners' behaviour, perceptions and influence in terms of learner performance is crucial to predict the use of electronic learning systems. By integrating the task-technology fit (TTF) model and the theory of planned behaviour (TPB), this paper investigates the online learning utilisation of Taiwanese students. This paper provides a…

  9. Calculations of chemisorption of hydrogen and nitrogen on titanium using Xα-SW and SCF-CI methods

    International Nuclear Information System (INIS)

    Hung, S.C.

    1983-01-01

    Two theoretical studies are used as examples of chemisorption on transition metal surfaces. The first calculation employs the SCF-Sα-SW method to determine the electronic structures of several close-packed Ti-Ti and Ti-H systems. The relative importance of Ti s, p, and electron bonding to its Ti neighbors and to H are reported. The roles of the d electrons in the Ti-Ti and Ti-H bond are discussed. The effect of the presence of an H atom on the first few layers of the metal is also studied. The second set of calculations employs the Hartree-Fock-Roothaan SCF formulation supplemented by configuration-interaction (CI) to determine the energetics of adsorption of an N 2 molecule at a Ti surface. These calculations are made tractable by using a Ti core potential and by a unitary localization transformation to define a local surface region of localized lattice plus adsorbate orbitals. The results show that an underlayer of N atoms forms at the octahedral sites. The calculated adsorption energy of 115 kcal/mole compares favorably with experiment. Binding energy contributions in the several successive steps of the calculations are discussed. Eigenvalue spectra for the selected lattice-adsorbate geometries are compared to the UPS experimental data

  10. Modifiable Combining Functions

    OpenAIRE

    Cohen, Paul; Shafer, Glenn; Shenoy, Prakash P.

    2013-01-01

    Modifiable combining functions are a synthesis of two common approaches to combining evidence. They offer many of the advantages of these approaches and avoid some disadvantages. Because they facilitate the acquisition, representation, explanation, and modification of knowledge about combinations of evidence, they are proposed as a tool for knowledge engineers who build systems that reason under uncertainty, not as a normative theory of evidence.

  11. Development and validation of the nasopharyngeal cancer scale among the system of quality of life instruments for cancer patients (QLICP-NA V2.0): combined classical test theory and generalizability theory.

    Science.gov (United States)

    Wu, Jiayuan; Hu, Liren; Zhang, Gaohua; Liang, Qilian; Meng, Qiong; Wan, Chonghua

    2016-08-01

    This research was designed to develop a nasopharyngeal cancer (NPC) scale based on quality of life (QOL) instruments for cancer patients (QLICP-NA). This scale was developed by using a modular approach and was evaluated by classical test and generalizability theories. Programmed decision procedures and theories on instrument development were applied to create QLICP-NA V2.0. A total of 121 NPC inpatients were assessed using QLICP-NA V2.0 to measure their QOL data from hospital admission until discharge. Scale validity, reliability, and responsiveness were evaluated by correlation, factor, parallel, multi-trait scaling, and t test analyses, as well as by generalizability (G) and decision (D) studies of the generalizability theory. Results of multi-trait scaling, correlation, factor, and parallel analyses indicated that QLICP-NA V2.0 exhibited good construct validity. The significant difference of QOL between the treated and untreated NPC patients indicated a good clinical validity of the questionnaire. The internal consistency (α) and test-retest reliability coefficients (intra-class correlations) of each domain, as well as the overall scale, were all >0.70. Ceiling effects were not found in all domains and most facets, except for common side effects (24.8 %) in the domain of common symptoms and side effects, tumor early symptoms (27.3 %) and therapeutic side effects (23.2 %) in specific domain, whereas floor effects did not exist in each domain/facet. The overall changes in the physical and social domains were significantly different between pre- and post-treatments with a moderate effective size (standard response mean) ranging from 0.21 to 0.27 (p theory. QLICP-NA V2.0 exhibited reasonable degrees of validity, reliability, and responsiveness. However, this scale must be further improved before it can be used as a practical instrument to evaluate the QOL of NPC patients in China.

  12. Non-empirical Prediction of the Photophysical and Magnetic Properties of Systems with Open d- and f-Shells Based on Combined Ligand Field and Density Functional Theory (LFDFT).

    Science.gov (United States)

    Daul, Claude

    2014-09-01

    Despite the important growth of ab initio and computational techniques, ligand field theory in molecular science or crystal field theory in condensed matter offers the most intuitive way to calculate multiplet energy levels arising from systems with open shells d and/or f electrons. Over the past decade we have developed a ligand field treatment of inorganic molecular modelling taking advantage of the dominant localization of the frontier orbitals within the metal-sphere. This feature, which is observed in any inorganic coordination compound, especially if treated by Density Functional Theory calculation, allows the determination of the electronic structure and properties with a surprising good accuracy. In ligand field theory, the theoretical concepts consider only a single atom center; and treat its interaction with the chemical environment essentially as a perturbation. Therefore success in the simple ligand field theory is no longer questionable, while the more accurate molecular orbital theory does in general over-estimate the metal-ligand covalence, thus yields wave functions that are too delocalized. Although LF theory has always been popular as a semi-empirical method when dealing with molecules of high symmetry e.g. cubic symmetry where the number of parameters needed is reasonably small (3 or 5), this is no more the case for molecules without symmetry and involving both an open d- and f-shell (# parameters ∼90). However, the combination of LF theory and Density Functional (DF) theory that we introduced twenty years ago can easily deal with complex molecules of any symmetry with two and more open shells. The accuracy of these predictions from 1(st) principles achieves quite a high accuracy (<5%) in terms of states energies. Hence, this approach is well suited to predict the magnetic and photo-physical properties arbitrary molecules and materials prior to their synthesis, which is the ultimate goal of each computational chemist. We will illustrate the

  13. Development and validation of the irritable bowel syndrome scale under the system of quality of life instruments for chronic diseases QLICD-IBS: combinations of classical test theory and generalizability theory.

    Science.gov (United States)

    Lei, Pingguang; Lei, Guanghe; Tian, Jianjun; Zhou, Zengfen; Zhao, Miao; Wan, Chonghua

    2014-10-01

    This paper is aimed to develop the irritable bowel syndrome (IBS) scale of the system of Quality of Life Instruments for Chronic Diseases (QLICD-IBS) by the modular approach and validate it by both classical test theory and generalizability theory. The QLICD-IBS was developed based on programmed decision procedures with multiple nominal and focus group discussions, in-depth interview, and quantitative statistical procedures. One hundred twelve inpatients with IBS were used to provide the data measuring QOL three times before and after treatments. The psychometric properties of the scale were evaluated with respect to validity, reliability, and responsiveness employing correlation analysis, factor analyses, multi-trait scaling analysis, t tests and also G studies and D studies of generalizability theory analysis. Multi-trait scaling analysis, correlation, and factor analyses confirmed good construct validity and criterion-related validity when using SF-36 as a criterion. Test-retest reliability coefficients (Pearson r and intra-class correlation (ICC)) for the overall score and all domains were higher than 0.80; the internal consistency α for all domains at two measurements were higher than 0.70 except for the social domain (0.55 and 0.67, respectively). The overall score and scores for all domains/facets had statistically significant changes after treatments with moderate or higher effect size standardized response mean (SRM) ranging from 0.72 to 1.02 at domain levels. G coefficients and index of dependability (Ф coefficients) confirmed the reliability of the scale further with more exact variance components. The QLICD-IBS has good validity, reliability, responsiveness, and some highlights and can be used as the quality of life instrument for patients with IBS.

  14. Development and validation of the coronary heart disease scale under the system of quality of life instruments for chronic diseases QLICD-CHD: combinations of classical test theory and Generalizability Theory.

    Science.gov (United States)

    Wan, Chonghua; Li, Hezhan; Fan, Xuejin; Yang, Ruixue; Pan, Jiahua; Chen, Wenru; Zhao, Rong

    2014-06-04

    Quality of life (QOL) for patients with coronary heart disease (CHD) is now concerned worldwide with the specific instruments being seldom and no one developed by the modular approach. This paper is aimed to develop the CHD scale of the system of Quality of Life Instruments for Chronic Diseases (QLICD-CHD) by the modular approach and validate it by both classical test theory and Generalizability Theory. The QLICD-CHD was developed based on programmed decision procedures with multiple nominal and focus group discussions, in-depth interview, pre-testing and quantitative statistical procedures. 146 inpatients with CHD were used to provide the data measuring QOL three times before and after treatments. The psychometric properties of the scale were evaluated with respect to validity, reliability and responsiveness employing correlation analysis, factor analyses, multi-trait scaling analysis, t-tests and also G studies and D studies of Genralizability Theory analysis. Multi-trait scaling analysis, correlation and factor analyses confirmed good construct validity and criterion-related validity when using SF-36 as a criterion. The internal consistency α and test-retest reliability coefficients (Pearson r and Intra-class correlations ICC) for the overall instrument and all domains were higher than 0.70 and 0.80 respectively; The overall and all domains except for social domain had statistically significant changes after treatments with moderate effect size SRM (standardized response mea) ranging from 0.32 to 0.67. G-coefficients and index of dependability (Ф coefficients) confirmed the reliability of the scale further with more exact variance components. The QLICD-CHD has good validity, reliability, and moderate responsiveness and some highlights, and can be used as the quality of life instrument for patients with CHD. However, in order to obtain better reliability, the numbers of items for social domain should be increased or the items' quality, not quantity, should be

  15. Interplay between tetrel and triel bonds in RC6H4CN⋯MF3CN⋯BX3 complexes: A combined symmetry-adapted perturbation theory, Møller-Plesset, and quantum theory of atoms-in-molecules study.

    Science.gov (United States)

    Yourdkhani, Sirous; Korona, Tatiana; Hadipour, Nasser L

    2015-12-15

    Intermolecular ternary complexes composed of: (1) the centrally placed trifluoroacetonitrile or its higher analogs with central carbon exchanged by silicon or germanium (M = C, Si, Ge), (2) the benzonitrile molecule or its para derivatives on one side, and (3) the boron trifluoride of trichloride molecule (X = F, Cl) on the opposite side as well as the corresponding intermolecular tetrel- and triel-bonded binary complexes, were investigated by symmetry-adapted perturbation theory (SAPT) and the supermolecular Møller-Plesset method (MP2) at the complete basis set limit for optimized geometries. A character of interactions was studied by quantum theory of atoms-in-molecules (QTAIM). A comparison of interaction energies and QTAIM bond descriptors for dimers and trimers reveals that tetrel and triel bonds increase in their strength if present together in the trimer. For the triel-bonded complex, this growth leads to a change of the bond character from closed-shell to partly covalent for Si or Ge tetrel atoms, so the resulting bonding scheme corresponds to a preliminary stage of the SN2 reaction. Limitations of the Lewis theory of acids and bases were shown by its failure in predicting the stability order of the triel complexes. The necessity of including interaction energy terms beyond the electrostatic component for an elucidation of the nature of σ- and π-holes was presented by a SAPT energy decomposition and by a study of differences in monomer electrostatic potentials obtained either from isolated monomer densities, or from densities resulting from a perturbation with the effective field of another monomer. © 2015 Wiley Periodicals, Inc.

  16. Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State

    Czech Academy of Sciences Publication Activity Database

    Vinš, Václav; Planková, Barbora; Hrubý, Jan

    2013-01-01

    Roč. 34, č. 5 (2013), s. 792-812 ISSN 0195-928X R&D Projects: GA AV ČR IAA200760905; GA ČR(CZ) GPP101/11/P046; GA ČR GA101/09/1633 Institutional research plan: CEZ:AV0Z20760514 Institutional support: RVO:61388998 Keywords : chemical polarity * gradient theory * surface tension Subject RIV: BJ - Thermodynamics Impact factor: 0.623, year: 2013 http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s10765-012-1207-z

  17. Application of the IAS theory combining to a three compartments description of natural organic matter to the adsorption of atrazine or diuron on activated carbon.

    Science.gov (United States)

    Baudu, M; Raveau, D; Guibaud, G

    2004-07-01

    The study of natural organic matter (NOM) adsorption on an activated carbon showed that equilibrium cannot be described according to a simple model such as a Freundlich isotherm and confirms the need for a closer description of the organic matter to simulate the competitive adsorption with micropollutants. A representation of the organic matter in three fractions is chosen: non-adsorbable, weak and strong adsorbable. The Ideal Adsorbed Solution Theory (IAST) can, under restrictive conditions, be used to effectively predict the competition between the pesticides and the organic matter. Therefore, it was noted that the model simulated with good precision the competition between atrazine or diuron and natural organic matter in aqueous solution for two activated carbons (A and B). The same parameters for the modeling of organic matter adsorption (Freudlich constants for two absorbable fractions) are used with the two pesticides. However, IAST does not allow correct modeling of pesticide adsorption onto two other (C and D) activated carbons in solution in natural water to be described. IAS theory does not reveal competition between diuron and NOM and pore blockage mechanism by the NOM is proposed as the major effect for the adsorption capacity reduction. However, the difference observed between the two pesticides could be due to in addition to the pore blockage effect, a particular phenomenon with the diuron, especially with D activated carbon. We can suppose specific interactions between the diuron and the adsorbed organic matter and a competition between adsorption sites of NOM and activated carbon surface.

  18. A combination between the differential and the perturbation theory methods for calculating sensitivity coefficients; Uma combinacao entre os metodos diferencial e da teoria de pertubacao para o calculo dos coeficientes de sensibilidade

    Energy Technology Data Exchange (ETDEWEB)

    Borges, Antonio Andrade

    1998-07-01

    A new method for the calculation of sensitivity coefficients is developed. The new method is a combination of two methodologies used for calculating theses coefficients, which are the differential and the generalized perturbation theory methods. The method utilizes as integral parameter the average flux in an arbitrary region of the system. Thus, the sensitivity coefficient contains only the component corresponding to the neutron flux. To obtain the new sensitivity coefficient, the derivatives of the integral parameter, {phi}, with respect to {sigma} are calculated using the perturbation method and the functional derivatives of this generic integral parameter with respect to {sigma} and {phi} are calculated using the differential method. (author)

  19. Theory and social practice of agency in combining breastfeeding and employment: A qualitative study among health workers in New Delhi, India.

    Science.gov (United States)

    Omer-Salim, Amal; Suri, Shobha; Dadhich, Jai Prakash; Faridi, Mohammad Moonis Akbar; Olsson, Pia

    2014-12-01

    Women's agency, or intentional actions, in combining breastfeeding and employment is significant for health and labour productivity. Previous research in India showed that mothers use various collaborative strategies to ensure a "good enough" combination of breastfeeding and employment. Bandura's theoretical agency constructs previously applied in various realms could facilitate the exploration of agency in an Indian context. To explore manifestations of agency in combining breastfeeding and employment amongst Indian health workers using Bandura's theoretical constructs of agency and women's experiences. Qualitative semi-structured interviews were conducted with ten women employees within the governmental health sector in New Delhi, India. Both deductive and inductive qualitative content analyses were used. Bandura's features and modes of agency revealed that intentionality is underpinned by knowledge, forethought means being prepared, self-reactiveness includes collaboration and that self-reflectiveness gives perspective. Women's interviews revealed four approaches to agency entitled: 'All within my stride or the knowledgeable navigator'; 'Much harder than expected, but ok overall'; This is a very lonely job'; and 'Out of my control'. Agency features and their elements are complex, dynamic and involve family members. Bandura's theoretical agency constructs are partially useful in this context, but additional social practice constructs of family structure and relationship quality are needed for better correspondence with women's experiences of agency. The variation in individual approaches to agency has implications for supportive health and workplace services. Copyright © 2014 Australian College of Midwives. Published by Elsevier Ltd. All rights reserved.

  20. Combined study of the gluon and ghost condensates μ2> and abccbcc> in Euclidean SU(2) Yang-Mills theory in the Landau gauge

    International Nuclear Information System (INIS)

    Capri, M.A.L.; Lemes, V.E.R.; Sobreiro, R.F.; Sorella, S.P.; Dudal, D.; Verschelde, H.; Gracey, J.A.

    2006-01-01

    The ghost condensate abc c b c c > is considered together with the gluon condensate μ 2 > in SU(2) Euclidean Yang-Mills theories quantized in the Landau gauge. The vacuum polarization ceases to be transverse due to the nonvanishing condensate abc c b c c >. The gluon propagator itself remains transverse. By polarization effects, this ghost condensate induces then a splitting in the gluon mass parameter, which is dynamically generated through μ 2 >. The obtained effective masses are real when μ 2 > is included in the analysis. In the absence of μ 2 >, the already known result that the ghost condensate induces effective tachyonic masses is recovered. At the one-loop level, we find that the effective diagonal mass becomes smaller than the off-diagonal one. This might serve as an indication for some kind of Abelian dominance in the Landau gauge, similar to what happens in the maximal Abelian gauge

  1. Simulation of bending stress variation in long buried thick-walled pipes under the earth’s movement using combined linear dynamics and beam theories

    Directory of Open Access Journals (Sweden)

    Salau Tajudeen A.O.

    2014-01-01

    Full Text Available This study reported a simulation approach to the understanding of the interactions between a buried pipe and the soil system by computing the bending stress variation of harmonically-excited buried pipes. The established principles of linear dynamics theory and simple beam theory were utilised in the analysis of the problem of buried pipe bending stress accumulation and its dynamics. With regards to the parameters that influence the bending stress variations, the most important are the isolation factor, uniform external load, and the corresponding limiting conditions. The simulated mathematical expressions, containing static and dynamic parameters of the buried pipe and earth, were coded in Fortran programming language and applied in the simulation experiment. The results obtained showed that harmonically-excited buried thick-walled pipe became stable and effective when the ratio of the natural frequency of vibration to the forced frequency is greater than 2.0, whenever the damped factor is used as the control parameter for the maximum bending stress. The mirror image of the stress variation produces variation in the location of the maximum bending stress in quantitative terms. The acceptable pipe materials for the simulated cases must have yield strength in bending greater than or equal to 13.95 MPa. The results obtained in this work fill a gap in the literature and will be useful to pipeline engineers and designers, as well as to environmental scientists in initialising and controlling environmental issues and policy formulation concerning the influence of buried pipe on the soil and water in the environment.

  2. Predictive transport modelling of type I ELMy H-mode dynamics using a theory-motivated combined ballooning-peeling model

    International Nuclear Information System (INIS)

    Loennroth, J-S; Parail, V; Dnestrovskij, A; Figarella, C; Garbet, X; Wilson, H

    2004-01-01

    This paper discusses predictive transport simulations of the type I ELMy high confinement mode (H-mode) with a theory-motivated edge localized mode (ELM) model based on linear ballooning and peeling mode stability theory. In the model, a total mode amplitude is calculated as a sum of the individual mode amplitudes given by two separate linear differential equations for the ballooning and peeling mode amplitudes. The ballooning and peeling mode growth rates are represented by mutually analogous terms, which differ from zero upon the violation of a critical pressure gradient and an analytical peeling mode stability criterion, respectively. The damping of the modes due to non-ideal magnetohydrodynamic effects is controlled by a term driving the mode amplitude towards the level of background fluctuations. Coupled to simulations with the JETTO transport code, the model qualitatively reproduces the experimental dynamics of type I ELMy H-mode, including an ELM frequency that increases with the external heating power. The dynamics of individual ELM cycles is studied. Each ELM is usually triggered by a ballooning mode instability. The ballooning phase of the ELM reduces the pressure gradient enough to make the plasma peeling unstable, whereby the ELM continues driven by the peeling mode instability, until the edge current density has been depleted to a stable level. Simulations with current ramp-up and ramp-down are studied as examples of situations in which pure peeling and pure ballooning mode ELMs, respectively, can be obtained. The sensitivity with respect to the ballooning and peeling mode growth rates is investigated. Some consideration is also given to an alternative formulation of the model as well as to a pure peeling model

  3. Theory of titration curves-VII The properties of derivative titration curves for strong acid-strong base and other isovalent ion-combination titrations.

    Science.gov (United States)

    Meites, T; Meites, L

    1970-06-01

    This paper deals with isovalent ion-combination titrations based on reactions that can be represented by the equation M(n+) + X(n-) --> MX, where the activity of the product MX is invariant throughout a titration, and with the derivative titration curves obtained by plotting d[M(+)]/dfversus f for such titrations. It describes some of the ways in which such curves can be obtained; it compares and contrasts them both with potentiometric titration curves, which resemble them in shape, and with segmented titration curves, from which they are derived; and it discusses their properties in detail.

  4. Classification of protein fold classes by knot theory and prediction of folds by neural networks: A combined theoretical and experimental approach

    DEFF Research Database (Denmark)

    Ramnarayan, K.; Bohr, Henrik; Jalkanen, Karl J.

    2008-01-01

    We present different means of classifying protein structure. One is made rigorous by mathematical knot invariants that coincide reasonably well with ordinary graphical fold classification and another classification is by packing analysis. Furthermore when constructing our mathematical fold...... classifications, we utilize standard neural network methods for predicting protein fold classes from amino acid sequences. We also make an analysis of the redundancy of the structural classifications in relation to function and ligand binding. Finally we advocate the use of combining the measurement of the VA...

  5. Theory summary

    International Nuclear Information System (INIS)

    Tang, W.M.

    2001-01-01

    This is a summary of the advances in magnetic fusion energy theory research presented at the 17th International Atomic Energy Agency Fusion Energy Conference from 19 24 October, 1998 in Yokohama, Japan. Theory and simulation results from this conference provided encouraging evidence of significant progress in understanding the physics of thermonuclear plasmas. Indeed, the grand challenge for this field is to acquire the basic understanding that can readily enable the innovations which would make fusion energy practical. In this sense, research in fusion energy is increasingly able to be categorized as fitting well the 'Pasteur's Quadrant' paradigm, where the research strongly couples basic science ('Bohr's Quadrant') to technological impact ('Edison's Quadrant'). As supported by some of the work presented at this conference, this trend will be further enhanced by advanced simulations. Eventually, realistic three-dimensional modeling capabilities, when properly combined with rapid and complete data interpretation of results from both experiments and simulations, can contribute to a greatly enhanced cycle of understanding and innovation. Plasma science theory and simulation have provided reliable foundations for this improved modeling capability, and the exciting advances in high-performance computational resources have further accelerated progress. There were 68 papers presented at this conference in the area of magnetic fusion energy theory

  6. Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.

    Science.gov (United States)

    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.

  7. Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

    International Nuclear Information System (INIS)

    Wdowik, U.D.; Twardowska, A.; Mȩdala-Wa̧sik, M.

    2015-01-01

    Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti_3SiC_2 as the major phase and TiSi_2, TiC_x, and Ti_5Si_3/Ti_5Si_3C_x impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC_x and Ti_5Si_3C_x Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

  8. Study of spinodal decomposition and formation of nc-Al2O3/ZrO2 nanocomposites by combined ab initio density functional theory and thermodynamic modeling

    International Nuclear Information System (INIS)

    Sheng, S.H.; Zhang, R.F.; Veprek, S.

    2011-01-01

    Using ab initio density functional theory, the equilibrium properties, such as the total energy, the molar volume, the bulk modulus and its first derivative, as well as the formation enthalpy of monoclinic ZrO 2 and hexagonal α-Al 2 O 3 phases, were calculated and compared with the published theoretical and experimental data. Based on the good agreement of these data, we calculated the lattice instabilities of hypothetical binary hexagonal Zr 2 O 3 and monoclinic AlO 2 , and the interaction parameters of ternary Zr 1-x Al x O y solid solutions. The binodal and spinodal diagrams were then constructed to predict the possibility of the formation of oxide-based nanocomposites which may display hardness enhancement above that of the solid solutions. It is shown that exponential dependence of the interaction parameter on temperature yields the most reliable results. The system should undergo spinodal phase segregation within the composition range that is relevant for the formation of hard or superhard nanocomposites with high thermal and oxidation stability, which are important for their applications.

  9. Lattice dynamics of binary and ternary phases in Ti–Si–C system: A combined Raman spectroscopy and density functional theory study

    Energy Technology Data Exchange (ETDEWEB)

    Wdowik, U.D., E-mail: sfwdowik@cyf-kr.edu.pl; Twardowska, A.; Mȩdala-Wa̧sik, M.

    2015-11-15

    Results of the x-ray diffraction and the Raman spectroscopy experiments on the multiphase Ti–Si–C system containing Ti{sub 3}SiC{sub 2} as the major phase and TiSi{sub 2}, TiC{sub x}, and Ti{sub 5}Si{sub 3}/Ti{sub 5}Si{sub 3}C{sub x} impurity phases are reported. Experimental studies are supported by the density functional theory calculations of the Raman spectra performed for the major and concomitant phases. The effect of carbon vacancies and impurities on the TiC{sub x} and Ti{sub 5}Si{sub 3}C{sub x} Raman spectra is investigated. It is shown that identification and refinement of the phase composition of the multicomponent Ti–Si–C system based on the theoretical Raman spectroscopy can be achieved when both frequencies and intensities of the simulated Raman-active modes are simultaneously considered. - Highlights: • Multiphase Ti-Si-C system is explored by Raman spectroscopy and DFT methods. • Ab initio Raman spectra of Ti3SiC2, TiSi2, TiCx, Ti5Si3/Ti5Si3Cx are investigated. • Raman intensities play key role in refinement of spectra from multiphase samples.

  10. Structural, optical and vibrational properties of Cr2O3 with ferromagnetic and antiferromagnetic order: A combined experimental and density functional theory study

    Science.gov (United States)

    Larbi, T.; Ouni, B.; Gantassi, A.; Doll, K.; Amlouk, M.; Manoubi, T.

    2017-12-01

    Chromium oxide (Cr2O3) thin films have been synthesized on glass substrates by the spray pyrolysis technique. The structural, morphological and optical properties of the sample have been studied by X-ray diffraction (XRD), Raman spectroscopy, FTIR spectroscopy, scanning probe microscopy and UV-vis spectroscopy respectively. X-ray diffraction results reveal that as deposited film is polycrystalline with a rhombohedral corundum structure and a preferential orientation of the crystallites along the (1 0 4) direction. IR and Raman spectra were recorded in the 100-900 cm-1 range and the observed modes were analysed and assigned to different normal modes of vibration. The direct optical band gap energy value calculated from the transmittance spectra of as-deposited thin film is about 3.38 eV. We employ first principles calculations based on density functional theory (DFT) with the B3LYP hybrid functional and a coupled perturbed Hartree-Fock/Kohn-Sham approach (CPHF/KS). We study the electronic structure, optimum geometry, and IR and Raman spectra of ferromagnetically and antiferromagnetically ordered Cr2O3. The computed results are consistent with the experimental measurements, and provide complete vibrational assignment, for the characterization of Cr2O3 thin film materials which can be used in photocatalysis and gas sensors.

  11. 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...

  12. Adsorption of selenium atoms at the Si(1 1 1)-7 x 7 surface: A combination of scanning tunnelling microscopy and density functional theory studies

    International Nuclear Information System (INIS)

    Wu, S.Q.; Zhou Yinghui; Wu Qihui; Pakes, C.I.; Zhu Zizhong

    2011-01-01

    Graphical abstract: A selenium atom, which adsorbs at site close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms on the Si(1 1 1)-7 x 7 surface, will break the Si-Si bond and consequently disorder the Si reconstruction surface. Research highlights: → STM and DFT are used to study the adsorption properties of Se atoms on a Si surface. → The adsorption site of Se atom on the Si surface has been identified. → The electronic effect of Se atom on the adsorbed Si surface has been ivestigaed. → The Se atom weakens the bond between two Si atom bonding with the Se atom. - Abstract: The adsorption of selenium (Se) atoms at the Si(1 1 1)-7 x 7 surface has been investigated using both scanning tunnelling microscopy (STM) and density functional theory calculations. A single Se atom prefers to adsorb at sites close to a Si adatom and bonds with this Si adatom and one of its backbonding Si atoms. The adsorption sites are referred to as A*-type sites in this article. The density of the conduction band (empty states) of the Si adatom increases as a result of the adsorption of a Se atom, which causes the Si adatom to become brighter in the empty state STM images. At the same time, the adsorption of the Se atom weakens the bonding between the Si adatom and its backbonding Si atom due to the charge transfer from them to the Se atom, and consequently destructs the ordered Si(1 1 1)-7 x 7 surface with increasing Se coverage.

  13. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.

    Science.gov (United States)

    Karabacak, Mehmet; Calisir, Zuhre; Kurt, Mustafa; Kose, Etem; Atac, Ahmet

    2016-01-15

    In this study, ethyl-6-chloronicotinate (E-6-ClN) molecule is recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1) (FT-IR, FT-Raman and dispersive Raman, respectively) in the solid phase. ((1))H and ((13))C nuclear magnetic resonance (NMR) spectra are recorded in DMSO solution. The structural and spectroscopic data of the molecule are obtained for two possible isomers (S1 and S2) from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule is fully optimized, vibrational spectra are calculated and fundamental vibrations are assigned on the basis of the potential energy distribution (PED) of the vibrational modes. ((1))H and ((13))C NMR chemical shifts are calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strengths, wavelengths, HOMO and LUMO energies, are performed by time-dependent density functional theory (TD-DFT). Total and partial density of state and overlap population density of state diagrams analysis are presented for E-6-ClN molecule. Furthermore, frontier molecular orbitals (FMO), molecular electrostatic potential, and thermodynamic features are performed. In addition to these, reduced density gradient of the molecule is performed and discussed. As a conclusion, the calculated results are compared with the experimental spectra of the title compound. The results of the calculations are applied to simulate the vibrational spectra of the molecule, which show excellent agreement with the observed ones. The theoretical and tentative results will give us a detailed description of the structural and physicochemical properties of the molecule. Natural bond orbital analysis is done to have more information stability of the molecule arising from charge delocalization, and to reveal the information regarding charge transfer within the molecules. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Combining the Technology Acceptance Model and Uses and Gratifications Theory to examine the usage behavior of an Augmented Reality Tour-sharing Application

    Directory of Open Access Journals (Sweden)

    Hui-Fei Lin

    2017-07-01

    Full Text Available An intelligent tour service system including an augmented reality (AR tour-sharing Application (APP and a query-answering server was developed in this study to promote tourist attractions involving local Hakka culture in Thailand. Subsequently, use of this APP to navigate Hakka culture tourist attractions in Thailand was observed. The novel random neural networks (RNNs were proposed to obtain query-answering services, and the practical experimental results showed that the accuracy of RNNs was 99.51%. This study also integrated the Technology Acceptance Model with Uses and Gratifications Theory to predict the gratification, usage intention, and user attitudes toward marketed attractions of the AR tour-sharing APP. A questionnaire survey was conducted, and 446 valid questionnaires were returned. The following results were obtained: (a self-presentation and perceived usefulness (PU directly influenced gratification; (b perceived entertainment indirectly influenced gratification through perceived ease of use and PU, and information sharing indirectly influenced gratification through PU; and (c gratification was significantly and positively related to usage intention and attitude toward attractions. Based on these results, suggestions that new technology marketing can be used to promote causes other than Hakka tourist attractions established in Thailand can be contrived. For example, the tour-sharing APP developed in this study could be applied to emphasize the characteristics of Thai Hakka culture; users’ fondness for self-presentation and information sharing can be used for word-of-mouth marketing to attract additional visitors. In addition, this research provides a reference for enterprises and marketers regarding the use of AR tour-sharing APPs to market tourist attractions, and also for future related studies.

  15. Special theory of relativity

    CERN Document Server

    Kilmister, Clive William

    1970-01-01

    Special Theory of Relativity provides a discussion of the special theory of relativity. Special relativity is not, like other scientific theories, a statement about the matter that forms the physical world, but has the form of a condition that the explicit physical theories must satisfy. It is thus a form of description, playing to some extent the role of the grammar of physics, prescribing which combinations of theoretical statements are admissible as descriptions of the physical world. Thus, to describe it, one needs also to describe those specific theories and to say how much they are limit

  16. Combining electronic structure and many-body theory with large databases: A method for predicting the nature of 4 f states in Ce compounds

    Science.gov (United States)

    Herper, H. C.; Ahmed, T.; Wills, J. M.; Di Marco, I.; Björkman, T.; Iuşan, D.; Balatsky, A. V.; Eriksson, O.

    2017-08-01

    Recent progress in materials informatics has opened up the possibility of a new approach to accessing properties of materials in which one assays the aggregate properties of a large set of materials within the same class in addition to a detailed investigation of each compound in that class. Here we present a large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic structure and 4 f -hybridization function of a large body of Ce compounds. We systematically study the electronic structure and 4 f -hybridization function of a large body of Ce compounds with the goal of elucidating the nature of the 4 f states and their interrelation with the measured Kondo energy in these compounds. The hybridization function has been analyzed for more than 350 data sets (being part of the IMS database) of cubic Ce compounds using electronic structure theory that relies on a full-potential approach. We demonstrate that the strength of the hybridization function, evaluated in this way, allows us to draw precise conclusions about the degree of localization of the 4 f states in these compounds. The theoretical results are entirely consistent with all experimental information, relevant to the degree of 4 f localization for all investigated materials. Furthermore, a more detailed analysis of the electronic structure and the hybridization function allows us to make precise statements about Kondo correlations in these systems. The calculated hybridization functions, together with the corresponding density of states, reproduce the expected exponential behavior of the observed Kondo temperatures and prove a consistent trend in real materials. This trend allows us to predict which systems may be correctly identified as Kondo systems. A strong anticorrelation between the size of the hybridization function and the volume of the systems has been observed. The information entropy for this set of systems is

  17. An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins.

    Science.gov (United States)

    Matsui, Toru; Baba, Takeshi; Kamiya, Katsumasa; Shigeta, Yasuteru

    2012-03-28

    We report a scheme for estimating the acid dissociation constant (pK(a)) based on quantum-chemical calculations combined with a polarizable continuum model, where a parameter is determined for small reference molecules. We calculated the pK(a) values of variously sized molecules ranging from an amino acid to a protein consisting of 300 atoms. This scheme enabled us to derive a semiquantitative pK(a) value of specific chemical groups and discuss the influence of the surroundings on the pK(a) values. As applications, we have derived the pK(a) value of the side chain of an amino acid and almost reproduced the experimental value. By using our computing schemes, we showed the influence of hydrogen bonds on the pK(a) values in the case of tripeptides, which decreases the pK(a) value by 3.0 units for serine in comparison with those of the corresponding monopeptides. Finally, with some assumptions, we derived the pK(a) values of tyrosines and serines in chignolin and a tryptophan cage. We obtained quite different pK(a) values of adjacent serines in the tryptophan cage; the pK(a) value of the OH group of Ser13 exposed to bulk water is 14.69, whereas that of Ser14 not exposed to bulk water is 20.80 because of the internal hydrogen bonds.

  18. Combining density functional theory (DFT) and pair distribution function (PDF) analysis to solve the structure of metastable materials: the case of metakaolin.

    Science.gov (United States)

    White, Claire E; Provis, John L; Proffen, Thomas; Riley, Daniel P; van Deventer, Jannie S J

    2010-04-07

    Understanding the atomic structure of complex metastable (including glassy) materials is of great importance in research and industry, however, such materials resist solution by most standard techniques. Here, a novel technique combining thermodynamics and local structure is presented to solve the structure of the metastable aluminosilicate material metakaolin (calcined kaolinite) without the use of chemical constraints. The structure is elucidated by iterating between least-squares real-space refinement using neutron pair distribution function data, and geometry optimisation using density functional modelling. The resulting structural representation is both energetically feasible and in excellent agreement with experimental data. This accurate structural representation of metakaolin provides new insight into the local environment of the aluminium atoms, with evidence of the existence of tri-coordinated aluminium. By the availability of this detailed chemically feasible atomic description, without the need to artificially impose constraints during the refinement process, there exists the opportunity to tailor chemical and mechanical processes involving metakaolin and other complex metastable materials at the atomic level to obtain optimal performance at the macro-scale.

  19. Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations.

    Science.gov (United States)

    Rakhmatullin, Aydar; Polovov, Ilya B; Maltsev, Dmitry; Allix, Mathieu; Volkovich, Vladimir; Chukin, Andrey V; Boča, Miroslav; Bessada, Catherine

    2018-02-05

    The structures of several fluoroscandate compounds are presented here using a characterization approach combining powder X-ray diffraction and solid-state NMR. The structure of K 5 Sc 3 F 14 was fully determined from Rietveld refinement performed on powder X-ray diffraction data. Moreover, the local structures of NaScF 4 , Li 3 ScF 6 , KSc 2 F 7 , and Na 3 ScF 6 compounds were studied in detail from solid-state 19 F and 45 Sc NMR experiments. The 45 Sc chemical shift ranges for six- and seven-coordinated scandium environments were defined. The 19 F chemical shift ranges for bridging and terminal fluorine atoms were also determined. First-principles calculations of the 19 F and 45 Sc NMR parameters were carried out using plane-wave basis sets and periodic boundary conditions (CASTEP), and the results were compared with the experimental data. A good agreement between the calculated shielding constants and experimental chemical shifts was obtained. This demonstrates the good potential of computational methods in spectroscopic assignments of solid-state 45 Sc NMR spectroscopy.

  20. Graph theory

    CERN Document Server

    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...

  1. Tin Oxide Crystals Exposed by Low-Energy {110} Facets for Enhanced Electrochemical Heavy Metal Ions Sensing: X-ray Absorption Fine Structure Experimental Combined with Density-Functional Theory Evidence.

    Science.gov (United States)

    Jin, Zhen; Yang, Meng; Chen, Shao-Hua; Liu, Jin-Huai; Li, Qun-Xiang; Huang, Xing-Jiu

    2017-02-21

    Herein, we revealed that the electrochemical behaviors on the detection of heavy metal ions (HMIs) would largely rely on the exposed facets of SnO 2 nanoparticles. Compared to the high-energy {221} facet, the low-energy {110} facet of SnO 2 possessed better electrochemical performance. The adsorption/desorption tests, density-functional theory (DFT) calculations, and X-ray absorption fine structure (XAFS) studies showed that the lower barrier energy of surface diffusion on {110} facet was critical for the superior electrochemical property, which was favorable for the ions diffusion on the electrode, and further leading the enhanced electrochemical performance. Through the combination of experiments and theoretical calculations, a reliable interpretation of the mechanism for electroanalysis of HMIs with nanomaterials exposed by different crystal facets has been provided. Furthermore, it provides a deep insight into understanding the key factor to improve the electrochemical performance for HMIs detection, so as to design high-performance electrochemical sensors.

  2. Quantum field theory

    CERN Document Server

    Sadovskii, Michael V

    2013-01-01

    This book discusses the main concepts of the Standard Model of elementary particles in a compact and straightforward way. The work illustrates the unity of modern theoretical physics by combining approaches and concepts of the quantum field theory and modern condensed matter theory. The inductive approach allows a deep understanding of ideas and methods used for solving problems in this field.

  3. Waltz's Theory of Theory

    DEFF Research Database (Denmark)

    Wæver, Ole

    2009-01-01

    -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......, shows the power of a dominant philosophy of science in US IR, and thus the challenge facing any ambitious theorising. The article suggests a possible movement of fronts away from the ‘fourth debate' between rationalism and reflectivism towards one of theory against empiricism. To help this new agenda...

  4. Theories to be combined and contrasted

    DEFF Research Database (Denmark)

    Lindenskov, Lena; Tonnesen, Pia Beck; Weng, Peter

    2015-01-01

    The constructivist paradigm is the primary underpinning of the Mathematics Recovery Programme (MRP) in Australia, the UK, the USA and Canada. The critical mathematics education paradigm is the primary underpinning of the Early Mathematics Intervention Programme for Marginal Groups in Denmark (TMTM...

  5. Coupling of Hubbard fermions with phonons in La{sub 2} CuO{sub 4}: A combined study using density-functional theory and the generalized tight-binding method

    Energy Technology Data Exchange (ETDEWEB)

    Shneyder, E.I., E-mail: shneyder@iph.krasn.ru [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014 (Russian Federation); Spitaler, J. [Materials Center Leoben Forschung GmbH, Rosegger-Straße 18, A-8700 Leoben (Austria); Kokorina, E.E.; Nekrasov, I.A. [Institute of Electrophysics UB RAS, Amundsena Str. 106, 620016 Yekaterinburg (Russian Federation); Gavrichkov, V.A. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation); Draxl, C. [Physics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Zum Großen Windkanal 6, 12489 Berlin (Germany); Ovchinnikov, S.G. [Kirensky Institute of Physics SB RAS, Krasnoyarsk 660036 (Russian Federation)

    2015-11-05

    We present results for the electron-phonon interaction of the Γ-point phonons in the tetragonal high-temperature phase of La{sub 2} CuO{sub 4} obtained from a hybrid scheme, combining density-functional theory (DFT) with the generalized tight-binding approach. As a starting point, eigenfrequencies and eigenvectors for the Γ-point phonons are determined from DFT within the frozen phonon approach utilizing the augmented plane wave + local orbitals method. The so obtained characteristics of electron-phonon coupling are converted into parameters of the generalized tight-binding method. This approach is a version of cluster perturbation theory and takes the strong on-site electron correlations into account. The obtained parameters describe the interaction of phonons with Hubbard fermions which form quasiparticle bands in strongly correlated electron systems. As a result, it is found that the Γ-point phonons with the strongest electron-phonon interaction are the A{sub 2u} modes (236 cm{sup −1}, 131 cm{sup −1} and 476 cm{sup −1}). Finally it is shown, that the single-electron spectral-weight redistribution between different Hubbard fermion quasiparticles results in a suppression of electron-phonon interaction which is strongest for the triplet Hubbard band with z oriented copper and oxygen electrons. - Highlights: • Electron-phonon interaction in strongly correlated electron systems is analyzed. • Interaction parameters between strongly correlated electrons and phonons are obtained. • The suppression of these parameters by strong electron correlations is demonstrated.

  6. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type-checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, is conjectured to have decidable type checking, and has an implemented type-checker. Our new type theory, called guarded cubical type theory, provides a computational interpretation of extensionality for guarded recursive...

  7. Guarded Cubical Type Theory

    DEFF Research Database (Denmark)

    Birkedal, Lars; Bizjak, Aleš; Clouston, Ranald

    2016-01-01

    This paper improves the treatment of equality in guarded dependent type theory (GDTT), by combining it with cubical type theory (CTT). GDTT is an extensional type theory with guarded recursive types, which are useful for building models of program logics, and for programming and reasoning...... with coinductive types. We wish to implement GDTT with decidable type checking, while still supporting non-trivial equality proofs that reason about the extensions of guarded recursive constructions. CTT is a variation of Martin-L\\"of type theory in which the identity type is replaced by abstract paths between...... terms. CTT provides a computational interpretation of functional extensionality, enjoys canonicity for the natural numbers type, and is conjectured to support decidable type-checking. Our new type theory, guarded cubical type theory (GCTT), provides a computational interpretation of extensionality...

  8. Ring Theory

    CERN Document Server

    Jara, Pascual; Torrecillas, Blas

    1988-01-01

    The papers in this proceedings volume are selected research papers in different areas of ring theory, including graded rings, differential operator rings, K-theory of noetherian rings, torsion theory, regular rings, cohomology of algebras, local cohomology of noncommutative rings. The book will be important for mathematicians active in research in ring theory.

  9. Game theory

    DEFF Research Database (Denmark)

    Hendricks, Vincent F.

    Game Theory is a collection of short interviews based on 5 questions presented to some of the most influential and prominent scholars in game theory. We hear their views on game theory, its aim, scope, use, the future direction of game theory and how their work fits in these respects....

  10. Forecast Combinations

    OpenAIRE

    Timmermann, Allan G

    2005-01-01

    Forecast combinations have frequently been found in empirical studies to produce better forecasts on average than methods based on the ex-ante best individual forecasting model. Moreover, simple combinations that ignore correlations between forecast errors often dominate more refined combination schemes aimed at estimating the theoretically optimal combination weights. In this paper we analyse theoretically the factors that determine the advantages from combining forecasts (for example, the d...

  11. String theory

    International Nuclear Information System (INIS)

    Chan Hongmo.

    1987-10-01

    The paper traces the development of the String Theory, and was presented at Professor Sir Rudolf Peierls' 80sup(th) Birthday Symposium. The String theory is discussed with respect to the interaction of strings, the inclusion of both gauge theory and gravitation, inconsistencies in the theory, and the role of space-time. The physical principles underlying string theory are also outlined. (U.K.)

  12. Nonequilibrium quantum field theories

    International Nuclear Information System (INIS)

    Niemi, A.J.

    1988-01-01

    Combining the Feynman-Vernon influence functional formalism with the real-time formulation of finite-temperature quantum field theories we present a general approach to relativistic quantum field theories out of thermal equilibrium. We clarify the physical meaning of the additional fields encountered in the real-time formulation of quantum statistics and outline diagrammatic rules for perturbative nonequilibrium computations. We derive a generalization of Boltzmann's equation which gives a complete characterization of relativistic nonequilibrium phenomena. (orig.)

  13. String theory or field theory?

    International Nuclear Information System (INIS)

    Marshakov, A.V.

    2002-01-01

    The status of string theory is reviewed, and major recent developments - especially those in going beyond perturbation theory in the string theory and quantum field theory frameworks - are analyzed. This analysis helps better understand the role and place of experimental phenomena, it is emphasized that there are some insurmountable problems inherent in it - notably the impossibility to formulate the quantum theory of gravity on its basis - which prevent it from being a fundamental physical theory of the world of microscopic distances. It is this task, the creation of such a theory, which string theory, currently far from completion, is expected to solve. In spite of its somewhat vague current form, string theory has already led to a number of serious results and greatly contributed to progress in the understanding of quantum field theory. It is these developments, which are our concern in this review [ru

  14. A randomized controlled trial of a brief online intervention to reduce alcohol consumption in new university students: Combining self-affirmation, theory of planned behaviour messages, and implementation intentions.

    Science.gov (United States)

    Norman, Paul; Cameron, David; Epton, Tracy; Webb, Thomas L; Harris, Peter R; Millings, Abigail; Sheeran, Paschal

    2018-02-01

    Excessive alcohol consumption increases when students enter university. This study tests whether combining (1) messages that target key beliefs from the theory of planned behaviour (TPB) that underlie binge drinking, (2) a self-affirmation manipulation to reduce defensive processing, and (3) implementation intentions (if-then plans to avoid binge drinking) reduces alcohol consumption in the first 6 months at university. A 2 (self-affirmation) × 2 (TPB messages) × 2 (implementation intention) between-participants randomized controlled trial with 6-month follow-up. Before starting university, students (N = 2,951) completed measures of alcohol consumption and were randomly assigned to condition in a full-factorial design. TPB cognitions about binge drinking were assessed immediately post-intervention (n = 2,682). Alcohol consumption was assessed after 1 week (n = 1,885), 1 month (n = 1,389), and 6 months (n = 892) at university. TPB cognitions were assessed again at 1 and 6 months. Participants who received the TPB messages had significantly less favourable cognitions about binge drinking (except perceived control), consumed fewer units of alcohol, engaged in binge drinking less frequently, and had less harmful patterns of alcohol consumption during their first 6 months at university. The other main effects were non-significant. The findings support the use of TPB-based interventions to reduce students' alcohol consumption, but question the use of self-affirmation and implementation intentions before starting university when the messages may not represent a threat to self-identity and when students may have limited knowledge and experience of the pressures to drink alcohol at university. Statement of contribution What is already known on this subject? Alcohol consumption increases when young people enter university. Significant life transitions represent potential teachable moments to change behaviour. Interventions with a strong theoretical

  15. Translation Theory 'Translated'

    DEFF Research Database (Denmark)

    Wæraas, Arild; Nielsen, Jeppe

    2016-01-01

    Translation theory has proved to be a versatile analytical lens used by scholars working from different traditions. On the basis of a systematic literature review, this study adds to our understanding of the ‘translations’ of translation theory by identifying the distinguishing features of the most...... common theoretical approaches to translation within the organization and management discipline: actor-network theory, knowledge-based theory, and Scandinavian institutionalism. Although each of these approaches already has borne much fruit in research, the literature is diverse and somewhat fragmented......, but also overlapping. We discuss the ways in which the three versions of translation theory may be combined and enrich each other so as to inform future research, thereby offering a more complete understanding of translation in and across organizational settings....

  16. Dual double field theory

    Energy Technology Data Exchange (ETDEWEB)

    Bergshoeff, Eric A. [Centre for Theoretical Physics, University of Groningen,Nijenborgh 4, 9747 AG Groningen (Netherlands); Hohm, Olaf [Simons Center for Geometry and Physics, Stony Brook University,Stony Brook, NY 11794-3636 (United States); Penas, Victor A. [Centre for Theoretical Physics, University of Groningen,Nijenborgh 4, 9747 AG Groningen (Netherlands); Riccioni, Fabio [INFN - Sezione di Roma, Dipartimento di Fisica, Università di Roma “La Sapienza”,Piazzale Aldo Moro 2, 00185 Roma (Italy)

    2016-06-06

    We present the dual formulation of double field theory at the linearized level. This is a classically equivalent theory describing the duals of the dilaton, the Kalb-Ramond field and the graviton in a T-duality or O(D,D) covariant way. In agreement with previous proposals, the resulting theory encodes fields in mixed Young-tableau representations, combining them into an antisymmetric 4-tensor under O(D,D). In contrast to previous proposals, the theory also requires an antisymmetric 2-tensor and a singlet, which are not all pure gauge. The need for these additional fields is analogous to a similar phenomenon for “exotic' dualizations, and we clarify this by comparing with the dualizations of the component fields. We close with some speculative remarks on the significance of these observations for the full non-linear theory yet to be constructed.

  17. Rerepresenting and Restructuring Domain Theories: A Constructive Induction Approach

    OpenAIRE

    Donoho, S. K.; Rendell, L. A.

    1995-01-01

    Theory revision integrates inductive learning and background knowledge by combining training examples with a coarse domain theory to produce a more accurate theory. There are two challenges that theory revision and other theory-guided systems face. First, a representation language appropriate for the initial theory may be inappropriate for an improved theory. While the original representation may concisely express the initial theory, a more accurate theory forced to use that same representati...

  18. Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water: a novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation.

    Science.gov (United States)

    Takahashi, Hideaki; Ohno, Hajime; Kishi, Ryohei; Nakano, Masayoshi; Matubayasi, Nobuyuki

    2008-11-28

    The isoalloxazine ring (flavin ring) is a part of the coenzyme flavin adenine dinucleotide and acts as an active site in the oxidation of a substrate. We have computed the free energy change Deltamicro(red) associated with one-electron reduction of the flavin ring immersed in water by utilizing the quantum mechanical/molecular mechanical method combined with the theory of energy representation (QM/MM-ER method) recently developed. As a novel treatment in implementing the QM/MM-ER method, we have identified the excess charge to be attached on the flavin ring as a solute while the remaining molecules, i.e., flavin ring and surrounding water molecules, are treated as solvent species. Then, the reduction free energy can be decomposed into the contribution Deltamicro(red)(QM) due to the oxidant described quantum chemically and the free energy Deltamicro(red)(MM) due to the water molecules represented by a classical model. By the sum of these contributions, the total reduction free energy Deltamicro(red) has been given as -80.1 kcal/mol. To examine the accuracy and efficiency of this approach, we have also conducted the Deltamicro(red) calculation using the conventional scheme that Deltamicro(red) is constructed from the solvation free energies of the flavin rings at the oxidized and reduced states. The conventional scheme has been implemented with the QM/MM-ER method and the calculated Deltamicro(red) has been estimated as -81.0 kcal/mol, showing excellent agreement with the value given by the new approach. The present approach is efficient, in particular, to compute free energy change for the reaction occurring in a protein since it enables ones to circumvent the numerical problem brought about by subtracting the huge solvation free energies of the proteins in two states before and after the reduction.

  19. C-C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach

    International Nuclear Information System (INIS)

    Boccia, A.; Lanzilotto, V.; Marrani, A. G.; Zanoni, R.; Stranges, S.; Alagia, M.; Fronzoni, G.; Decleva, P.

    2012-01-01

    We present the results of an experimental and theoretical investigation of monosubstituted ethyl-, vinyl-, and ethynyl-ferrocene (EtFC, VFC, and EFC) free molecules, obtained by means of synchrotron-radiation based C 1s photoabsorption (NEXAFS) and photoemission (C 1s XPS) spectroscopies, and density functional theory (DFT) calculations. Such a combined study is aimed at elucidating the role played by the C-C bond unsaturation degree of the substituent on the electronic structure of the ferrocene derivatives. Such substituents are required for molecular chemical anchoring onto relevant surfaces when ferrocenes are used for molecular electronics hybrid devices. The high resolution C 1s NEXAFS spectra exhibit distinctive features that depend on the degree of unsaturation of the hydrocarbon substituent. The theoretical approach to consider the NEXAFS spectrum made of three parts allowed to disentangle the specific contribution of the substituent group to the experimental spectrum as a function of its unsaturation degree. C 1s IEs were derived from the experimental data analysis based on the DFT calculated IE values for the different carbon atoms of the substituent and cyclopentadienyl (Cp) rings. Distinctive trends of chemical shifts were observed for the substituent carbon atoms and the substituted atom of the Cp ring along the series of ferrocenes. The calculated IE pattern was rationalized in terms of initial and final state effects influencing the IE value, with special regard to the different mechanism of electron conjugation between the Cp ring and the substituent, namely the σ/π hyperconjugation in EtFC and the π-conjugation in VFC and EFC.

  20. A Combined Probe-Molecule, Mössbauer, Nuclear Resonance Vibrational Spectroscopy, and Density Functional Theory Approach for Evaluation of Potential Iron Active Sites in an Oxygen Reduction Reaction Catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Kneebone, Jared L. [Univ. of Rochester, Rochester, NY (United States); Daifuku, Stephanie L. [Univ. of Rochester, Rochester, NY (United States); Kehl, Jeffrey A. [Univ. of Rochester, Rochester, NY (United States); Wu, Gang [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chung, Hoon T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hu, Michael Y. [Argonne National Lab. (ANL), Argonne, IL (United States); Alp, E. Ercan [Argonne National Lab. (ANL), Argonne, IL (United States); More, Karren L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Zelenay, Piotr [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Holby, Edward F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Neidig, Michael L. [Univ. of Rochester, Rochester, NY (United States)

    2017-07-06

    While non-precious metal M-N-C (M = Fe or Co) catalysts have been developed that are effective for the oxygen reduction reaction in polymer electrolyte fuel cells, no consensus has yet been reached regarding the nature of the M sites in these heterogeneous catalysts that are responsible for reaction with dioxygen (O2). While multiple studies have developed correlations between Fe distributions in as-prepared catalysts and ORR activity, the direct identification of sites reactive towards O2 or O2-analog molecules remains a significant challenge. In the present study, we demonstrate a new approach to identifying and characterizing potential Fe active sites in complex ORR catalysts that combines an effective probe molecule (NO(g)) Mössbauer spectroscopy and nuclear resonance vibrational spectroscopy (NRVS) with density functional theory (DFT) calculations. Mössbauer spectroscopic studies demonstrate that NO(g) treatment of electrochemically reduced PANI-57Fe-C leads to selective reaction with only a sub-set of the Fe species present. Nuclear resonance vibrational spectroscopic studies identified new Fe-ligand vibrations associated with the site reactive towards NO(g). DFT calculations of vibrational properties of a small selection of previously proposed active site structures suggest that graphene zig-zag edge hosted Fe-N structures may be responsible for the observed vibrational behavior with NO(g) probe molecules. Moreover, such sites are likely also reactive to O2, possibly serving as the ORR active sites in the synthesized materials.

  1. Mixed-linker UiO-66: structure-property relationships revealed by a combination of high-resolution powder X-ray diffraction and density functional theory calculations.

    Science.gov (United States)

    Taddei, Marco; Tiana, Davide; Casati, Nicola; van Bokhoven, Jeroen A; Smit, Berend; Ranocchiari, Marco

    2017-01-04

    The use of mixed-linker metal-organic frameworks (MIXMOFs) is one of the most effective strategies to modulate the physical-chemical properties of MOFs without affecting the overall crystal structure. In many instances, MIXMOFs have been recognized as solid solutions, with random distribution of ligands, in agreement with the empirical rule known as Vegard's law. In this work, we have undertaken a study combining high-resolution powder X-ray diffraction (HR-PXRD) and density functional theory (DFT) calculations with the aim of understanding the reasons why UiO-66-based amino- and bromo-functionalized MIXMOFs (MIXUiO-66) undergo cell expansion obeying Vegard's law and how this behaviour is related to their physical-chemical properties. DFT calculations predict that the unit cell in amino-functionalized UiO-66 experiences only minor expansion as a result of steric effects, whereas major modification to the electronic features of the framework leads to weaker metal-linker interaction and consequently to the loss of stability at higher degrees of functionalization. For bromo-functionalized UiO-66, steric repulsion due to the size of bromine yields a large cell expansion, but the electronic features remain very similar to pristine UiO-66, preserving the stability of the framework upon functionalization. MIXUiO-66 obtained by either direct synthesis or by post-synthetic exchange shows Vegard-like behaviour, suggesting that both preparation methods yield solid solutions, but the thermal stability and the textural properties of the post-synthetic exchanged materials do not display a clear dependence on the chemical composition, as observed for the MOFs obtained by direct synthesis.

  2. Supergravity theories

    International Nuclear Information System (INIS)

    Uehara, S.

    1985-01-01

    Of all supergravity theories, the maximal, i.e., N = 8 in 4-dimension or N = 1 in 11-dimension, theory should perform the unification since it owns the highest degree of symmetry. As to the N = 1 in d = 11 theory, it has been investigated how to compactify to the d = 4 theories. From the phenomenological point of view, local SUSY GUTs, i.e., N = 1 SUSY GUTs with soft breaking terms, have been studied from various angles. The structures of extended supergravity theories are less understood than those of N = 1 supergravity theories, and matter couplings in N = 2 extended supergravity theories are under investigation. The harmonic superspace was recently proposed which may be useful to investigate the quantum effects of extended supersymmetry and supergravity theories. As to the so-called Kaluza-Klein supergravity, there is another possibility. (Mori, K.)

  3. Topos theory

    CERN Document Server

    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.

  4. Probability theory

    CERN Document Server

    Dorogovtsev, A Ya; Skorokhod, A V; Silvestrov, D S; Skorokhod, A V

    1997-01-01

    This book of problems is intended for students in pure and applied mathematics. There are problems in traditional areas of probability theory and problems in the theory of stochastic processes, which has wide applications in the theory of automatic control, queuing and reliability theories, and in many other modern science and engineering fields. Answers to most of the problems are given, and the book provides hints and solutions for more complicated problems.

  5. Gauge theories

    International Nuclear Information System (INIS)

    Lee, B.W.

    1976-01-01

    Some introductory remarks to Yang-Mills fields are given and the problem of the Coulomb gauge is considered. The perturbation expansion for quantized gauge theories is discussed and a survey of renormalization schemes is made. The role of Ward-Takahashi identities in gauge theories is discussed. The author then discusses the renormalization of pure gauge theories and theories with spontaneously broken symmetry. (B.R.H.)

  6. String Theory: Big Problem for Small Size

    Science.gov (United States)

    Sahoo, S.

    2009-01-01

    String theory is the most promising candidate theory for a unified description of all the fundamental forces that exist in nature. It provides a mathematical framework that combines quantum theory with Einstein's general theory of relativity. The typical size of a string is of the order of 10[superscript -33] cm, called the Planck length. But due…

  7. Atomic theories

    CERN Document Server

    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

  8. Grounded theory.

    Science.gov (United States)

    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.

  9. Number theory via Representation theory

    Indian Academy of Sciences (India)

    2014-11-09

    Number theory via Representation theory. Eknath Ghate. November 9, 2014. Eightieth Annual Meeting, Chennai. Indian Academy of Sciences1. 1. This is a non-technical 20 minute talk intended for a general Academy audience.

  10. Superstring theory

    International Nuclear Information System (INIS)

    Schwarz, J.H.

    1985-01-01

    Dual string theories, initially developed as phenomenological models of hadrons, now appear more promising as candidates for a unified theory of fundamental interactions. Type I superstring theory (SST I), is a ten-dimensional theory of interacting open and closed strings, with one supersymmetry, that is free from ghosts and tachyons. It requires that an SO(eta) or Sp(2eta) gauge group be used. A light-cone-gauge string action with space-time supersymmetry automatically incorporates the superstring restrictions and leads to the discovery of type II superstring theory (SST II). SST II is an interacting theory of closed strings only, with two D=10 supersymmetries, that is also free from ghosts and tachyons. By taking six of the spatial dimensions to form a compact space, it becomes possible to reconcile the models with our four-dimensional perception of spacetime and to define low-energy limits in which SST I reduces to N=4, D=4 super Yang-Mills theory and SST II reduces to N=8, D=4 supergravity theory. The superstring theories can be described by a light-cone-gauge action principle based on fields that are functionals of string coordinates. With this formalism any physical quantity should be calculable. There is some evidence that, unlike any conventional field theory, the superstring theories provide perturbatively renormalizable (SST I) or finite (SST II) unifications of gravity with other interactions

  11. String theory or field theory?

    International Nuclear Information System (INIS)

    Marshakov, Andrei V

    2002-01-01

    The status of string theory is reviewed, and major recent developments - especially those in going beyond perturbation theory in the string theory and quantum field theory frameworks - are analyzed. This analysis helps better understand the role and place of string theory in the modern picture of the physical world. Even though quantum field theory describes a wide range of experimental phenomena, it is emphasized that there are some insurmountable problems inherent in it - notably the impossibility to formulate the quantum theory of gravity on its basis - which prevent it from being a fundamental physical theory of the world of microscopic distances. It is this task, the creation of such a theory, which string theory, currently far from completion, is expected to solve. In spite of its somewhat vague current form, string theory has already led to a number of serious results and greatly contributed to progress in the understanding of quantum field theory. It is these developments which are our concern in this review. (reviews of topical problems)

  12. Dependence theory via game theory

    NARCIS (Netherlands)

    Grossi, D.; Turrini, P.

    2011-01-01

    In the multi-agent systems community, dependence theory and game theory are often presented as two alternative perspectives on the analysis of social interaction. Up till now no research has been done relating these two approaches. The unification presented provides dependence theory with the sort

  13. Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. Part I. Application of the Huzinaga equation.

    Science.gov (United States)

    Ferenczy, György G

    2013-04-05

    Mixed quantum mechanics/quantum mechanics (QM/QM) and quantum mechanics/molecular mechanics (QM/MM) methods make computations feasible for extended chemical systems by separating them into subsystems that are treated at different level of sophistication. In many applications, the subsystems are covalently bound and the use of frozen localized orbitals at the boundary is a possible way to separate the subsystems and to ensure a sensible description of the electronic structure near to the boundary. A complication in these methods is that orthogonality between optimized and frozen orbitals has to be warranted and this is usually achieved by an explicit orthogonalization of the basis set to the frozen orbitals. An alternative to this approach is proposed by calculating the wave-function from the Huzinaga equation that guaranties orthogonality to the frozen orbitals without basis set orthogonalization. The theoretical background and the practical aspects of the application of the Huzinaga equation in mixed methods are discussed. Forces have been derived to perform geometry optimization with wave-functions from the Huzinaga equation. Various properties have been calculated by applying the Huzinaga equation for the central QM subsystem, representing the environment by point charges and using frozen strictly localized orbitals to connect the subsystems. It is shown that a two to three bond separation of the chemical or physical event from the frozen bonds allows a very good reproduction (typically around 1 kcal/mol) of standard Hartree-Fock-Roothaan results. The proposed scheme provides an appropriate framework for mixed QM/QM and QM/MM methods. Copyright © 2012 Wiley Periodicals, Inc.

  14. Calculation of wave-functions with frozen orbitals in mixed quantum mechanics/molecular mechanics methods. II. Application of the local basis equation.

    Science.gov (United States)

    Ferenczy, György G

    2013-04-05

    The application of the local basis equation (Ferenczy and Adams, J. Chem. Phys. 2009, 130, 134108) in mixed quantum mechanics/molecular mechanics (QM/MM) and quantum mechanics/quantum mechanics (QM/QM) methods is investigated. This equation is suitable to derive local basis nonorthogonal orbitals that minimize the energy of the system and it exhibits good convergence properties in a self-consistent field solution. These features make the equation appropriate to be used in mixed QM/MM and QM/QM methods to optimize orbitals in the field of frozen localized orbitals connecting the subsystems. Calculations performed for several properties in divers systems show that the method is robust with various choices of the frozen orbitals and frontier atom properties. With appropriate basis set assignment, it gives results equivalent with those of a related approach [G. G. Ferenczy previous paper in this issue] using the Huzinaga equation. Thus, the local basis equation can be used in mixed QM/MM methods with small size quantum subsystems to calculate properties in good agreement with reference Hartree-Fock-Roothaan results. It is shown that bond charges are not necessary when the local basis equation is applied, although they are required for the self-consistent field solution of the Huzinaga equation based method. Conversely, the deformation of the wave-function near to the boundary is observed without bond charges and this has a significant effect on deprotonation energies but a less pronounced effect when the total charge of the system is conserved. The local basis equation can also be used to define a two layer quantum system with nonorthogonal localized orbitals surrounding the central delocalized quantum subsystem. Copyright © 2013 Wiley Periodicals, Inc.

  15. Information Design Theories

    Science.gov (United States)

    Pettersson, Rune

    2014-01-01

    Information design has practical and theoretical components. As an academic discipline we may view information design as a combined discipline, a practical theory, or as a theoretical practice. So far information design has incorporated facts, influences, methods, practices, principles, processes, strategies, and tools from a large number of…

  16. [United theory of aging].

    Science.gov (United States)

    Trubitsyn, A G

    2012-01-01

    In attempts to develop a means of life prolongation the humankind has created more than three hundred theories of the aging; each of them offers the original cause of aging. However, none of them has given practical result by now. The majority of the theories have now only historical interest. There are several different theories that are mainly under consideration currently. They are based on reliable, proven evidence: the free radical theory, the protein error theory, the replicative senescence theory, the theory of reparation weakening, the immunological theory, several versions of neuroendocrinal theories, and programmed aging theory. The theory presented here is based on conception that the life as the phenomenon represents many of the interconnected physical and chemical processes propelled by energy of the mitochondrial bioenergetical machine. Gradual degradation of all vital processes is caused by the programmed decrease in level of bioenergetics. This theory unites all existing theories of aging constructed on authentic facts: it is shown, that such fundamental phenomena accompanying aging process as the increase in level of reactive oxygen species (ROS), the decrease in the general level of protein synthesis, the limitation of cellular dividing (Haiflick limit), decrease in efficiency of reparation mechanisms are caused by bioenergetics attenuation. Each of these phenomena in turn generates a number of harmful secondary processes. Any of the theories bases on one of these destructive phenomena or their combination. Hence, each of them describes one of sides of process of the aging initially caused by programmed decrease of level of bioenergetics. This united theory gives the chance to understand the nature of aging clock and explains a phenomenon of increase in longevity at the condition of food restriction. Failures of attempts to develop means from aging are explained by that the manipulations with the separate secondary phenomena of attenuation of

  17. Model theory

    CERN Document Server

    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

  18. Viability Theory

    CERN Document Server

    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

  19. Galois Theory

    CERN Document Server

    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

  20. Game theory.

    Science.gov (United States)

    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. Copyright © 2010 John Wiley & Sons, Ltd.

  1. Elastoplasticity theory

    CERN Document Server

    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..

  2. How to Develop a Multi-Grounded Theory: the evolution of a business process theory

    OpenAIRE

    Mikael Lind; Goran Goldkuhl

    2006-01-01

    In the information systems field there is a great need for different theories. Theory development can be performed in different ways – deductively and/or inductively. Different approaches with their pros and cons for theory development exists. A combined approach, which builds on inductive as well as deductive thinking, has been put forward – a Multi-Grounded Theory approach. In this paper the evolution of a business process theory is regarded as the development of a multi-grounded theory. Th...

  3. A Narrative Theory of Games

    DEFF Research Database (Denmark)

    Aarseth, Espen

    2012-01-01

    In this article I present a narrative theory of games, building on standard narra-tology, as a solution to the conundrum that has haunted computer game studies from the start: How to approach software that combines games and stories?......In this article I present a narrative theory of games, building on standard narra-tology, as a solution to the conundrum that has haunted computer game studies from the start: How to approach software that combines games and stories?...

  4. combination Dictionary

    African Journals Online (AJOL)

    rbr

    of the idiomatic expression as a whole" (Crystal 2003: 225-226). Idiomatic .... nations and idioms.11 Nonetheless, free combinations of words have not been .... those who thronged Emmett place last night wanted to see the film, and they.

  5. Perturbation theory

    International Nuclear Information System (INIS)

    Bartlett, R.; Kirtman, B.; Davidson, E.R.

    1978-01-01

    After noting some advantages of using perturbation theory some of the various types are related on a chart and described, including many-body nonlinear summations, quartic force-field fit for geometry, fourth-order correlation approximations, and a survey of some recent work. Alternative initial approximations in perturbation theory are also discussed. 25 references

  6. Need theory

    NARCIS (Netherlands)

    R. Veenhoven (Ruut)

    2014-01-01

    markdownabstract__Abstract__ Need theory of happiness is linked to affect theory, which holds that happiness is a reflection of how well we feel generally. In this view, we do not "calculate" happiness but rather "infer" it, the typical heuristic being "I feel good most of the time, hence

  7. Diffraction theory

    NARCIS (Netherlands)

    Bouwkamp, C.J.

    1954-01-01

    A critical review is presented of recent progress in classical diffraction theory. Both scalar and electromagnetic problems are discussed. The report may serve as an introduction to general diffraction theory although the main emphasis is on diffraction by plane obstacles. Various modifications of

  8. Universal prescriptivism: traditional moral decision-making theory revisited.

    Science.gov (United States)

    Crigger, N J

    1994-09-01

    Universal prescriptivism is a recently developed moral decision-making theory that combines utilitarian and Kantian theories with two levels of moral thinking. A combined approach offers a creative solution to the weaknesses inherent in traditional moral theories. The paper describes the theory and discusses important implications for nursing education, practical ethical decision-making, and research. The relationship of an ethical theory of caring to traditional moral theory is discussed.

  9. Potential Theory

    CERN Document Server

    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...

  10. Conspiracy Theory

    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...

  11. Field theory

    CERN Multimedia

    1999-11-08

    In these lectures I will build up the concept of field theory using the language of Feynman diagrams. As a starting point, field theory in zero spacetime dimensions is used as a vehicle to develop all the necessary techniques: path integral, Feynman diagrams, Schwinger-Dyson equations, asymptotic series, effective action, renormalization etc. The theory is then extended to more dimensions, with emphasis on the combinatorial aspects of the diagrams rather than their particular mathematical structure. The concept of unitarity is used to, finally, arrive at the various Feynman rules in an actual, four-dimensional theory. The concept of gauge-invariance is developed, and the structure of a non-abelian gauge theory is discussed, again on the level of Feynman diagrams and Feynman rules.

  12. Uncertainty theory

    CERN Document Server

    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...

  13. Concept theory

    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...

  14. Projected coupled cluster theory.

    Science.gov (United States)

    Qiu, Yiheng; Henderson, Thomas M; Zhao, Jinmo; Scuseria, Gustavo E

    2017-08-14

    Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails to describe the system or has to artificially break certain symmetries. On the other hand, projected Hartree-Fock theory captures the essential physics of many kinds of strong correlations via symmetry breaking and restoration. In this work, we combine and try to retain the merits of these two methods by applying symmetry projection to broken symmetry coupled cluster wave functions. The non-orthogonal nature of states resulting from the application of symmetry projection operators furnishes particle-hole excitations to all orders, thus creating an obstacle for the exact evaluation of overlaps. Here we provide a solution via a disentanglement framework theory that can be approximated rigorously and systematically. Results of projected coupled cluster theory are presented for molecules and the Hubbard model, showing that spin projection significantly improves unrestricted coupled cluster theory while restoring good quantum numbers. The energy of projected coupled cluster theory reduces to the unprojected one in the thermodynamic limit, albeit at a much slower rate than projected Hartree-Fock.

  15. Number theory

    CERN Document Server

    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

  16. Risk theory

    CERN Document Server

    Schmidli, Hanspeter

    2017-01-01

    This book provides an overview of classical actuarial techniques, including material that is not readily accessible elsewhere such as the Ammeter risk model and the Markov-modulated risk model. Other topics covered include utility theory, credibility theory, claims reserving and ruin theory. The author treats both theoretical and practical aspects and also discusses links to Solvency II. Written by one of the leading experts in the field, these lecture notes serve as a valuable introduction to some of the most frequently used methods in non-life insurance. They will be of particular interest to graduate students, researchers and practitioners in insurance, finance and risk management.

  17. Mapping Theory

    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...

  18. Plasticity theory

    CERN Document Server

    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

  19. Agency 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...... ante (“hidden characteristics”) as well as ex post information asymmetry (“hidden action”), and examines conditions under which various kinds of incentive instruments and monitoring arrangements can be deployed to minimize the welfare loss. Its clear predictions and broad applicability have allowed...... agency theory to enjoy considerable scientific impact on social science; however, it has also attracted considerable criticism....

  20. Agency Theory

    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...... ante (‘hidden characteristics’) as well as ex post information asymmetry (‘hidden action’), and examines conditions under which various kinds of incentive instruments and monitoring arrangements can be deployed to minimize the welfare loss. Its clear predictions and broad applicability have allowed...... agency theory to enjoy considerable scientific impact on social science; however, it has also attracted considerable criticism....

  1. Continuity theory

    CERN Document Server

    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 ...

  2. Model theory

    CERN Document Server

    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.

  3. Interpolation theory

    CERN Document Server

    Lunardi, Alessandra

    2018-01-01

    This book is the third edition of the 1999 lecture notes of the courses on interpolation theory that the author delivered at the Scuola Normale in 1998 and 1999. In the mathematical literature there are many good books on the subject, but none of them is very elementary, and in many cases the basic principles are hidden below great generality. In this book the principles of interpolation theory are illustrated aiming at simplification rather than at generality. The abstract theory is reduced as far as possible, and many examples and applications are given, especially to operator theory and to regularity in partial differential equations. Moreover the treatment is self-contained, the only prerequisite being the knowledge of basic functional analysis.

  4. [Nuclear theory

    International Nuclear Information System (INIS)

    1989-06-01

    This report discusses concepts in nuclear theory such as: neutrino nucleosynthesis; double beta decay; neutrino oscillations; chiral symmetry breaking; T invariance; quark propagator; cold fusion; and other related topics

  5. Livability theory

    NARCIS (Netherlands)

    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

  6. Nokton theory

    OpenAIRE

    SAIDANI Lassaad

    2015-01-01

    The nokton theory is an attempt to construct a theory adapted to every physical phenomenon. Space and time have been discretized. Its laws are iterative and precise. Probability plays an important role here. At first I defined the notion of image function and its mathematical framework. The notion of nokton and its state are the basis of several definitions. I later defined the canonical image function and the canonical contribution. Two constants have been necessary to define the dynam...

  7. Nokton theory

    OpenAIRE

    SAIDANI Lassaad

    2017-01-01

    The nokton theory is an attempt to construct a theory adapted to every physical phenomenon. Space and time have been discretized. Its laws are iterative and precise. Probability plays an important role here. At first I defined the notion of image function and its mathematical framework. The notion of nokton and its state are the basis of several definitions. I later defined the canonical image function and the canonical contribution. Two constants have been necessary to define the dynam...

  8. Graph theory

    CERN Document Server

    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

  9. Forecast combinations

    OpenAIRE

    Aiolfi, Marco; Capistrán, Carlos; Timmermann, Allan

    2010-01-01

    We consider combinations of subjective survey forecasts and model-based forecasts from linear and non-linear univariate specifications as well as multivariate factor-augmented models. Empirical results suggest that a simple equal-weighted average of survey forecasts outperform the best model-based forecasts for a majority of macroeconomic variables and forecast horizons. Additional improvements can in some cases be gained by using a simple equal-weighted average of survey and model-based fore...

  10. Combined homicide

    Directory of Open Access Journals (Sweden)

    Slović Živana

    2017-01-01

    Full Text Available Introduction: Combined homicide is a combination of two or more different modes of killing. These homicides occur when multiple perpetrators have different mode of killing, to hide the true manner of death, or when an initially unsuccessful attack with one weapon is abandoned and changed by another mode which is more successful, or due to availability of weapons at the scene of homicide, or unexpected appearance of possible eyewitness, or else. Case report: This case report is about 65-year old woman who was found in her residence on the floor next to the bed lying on her back with two kitchen knives in her neck. Autopsy revealed an abrasion on the frontal part of the neck and a bruise of the soft tissues of the neck with a double fracture of both greater horns of the hyoid bone and a fracture of both superior horns of the thyroid cartilage. The cause of death was exsanguination into right half of the thoracic cavity from the left subclavian artery which was cut, on the spot of stab wound in the neck. Conclusion: Hemorrhage in the soft tissue near broken hyoid bone and thyroid cartilage indicate that the victim was first strangulated and then stabbed with kitchen knives. Combined homicides are caused by one or more killers in order to accelerate the killing, or to be sure to provide the fatal outcome. This case is also interesting because the killer left weapon in the victim's neck.

  11. Theory of cortical function

    Science.gov (United States)

    Heeger, David J.

    2017-01-01

    Most models of sensory processing in the brain have a feedforward architecture in which each stage comprises simple linear filtering operations and nonlinearities. Models of this form have been used to explain a wide range of neurophysiological and psychophysical data, and many recent successes in artificial intelligence (with deep convolutional neural nets) are based on this architecture. However, neocortex is not a feedforward architecture. This paper proposes a first step toward an alternative computational framework in which neural activity in each brain area depends on a combination of feedforward drive (bottom-up from the previous processing stage), feedback drive (top-down context from the next stage), and prior drive (expectation). The relative contributions of feedforward drive, feedback drive, and prior drive are controlled by a handful of state parameters, which I hypothesize correspond to neuromodulators and oscillatory activity. In some states, neural responses are dominated by the feedforward drive and the theory is identical to a conventional feedforward model, thereby preserving all of the desirable features of those models. In other states, the theory is a generative model that constructs a sensory representation from an abstract representation, like memory recall. In still other states, the theory combines prior expectation with sensory input, explores different possible perceptual interpretations of ambiguous sensory inputs, and predicts forward in time. The theory, therefore, offers an empirically testable framework for understanding how the cortex accomplishes inference, exploration, and prediction. PMID:28167793

  12. Theory of cortical function.

    Science.gov (United States)

    Heeger, David J

    2017-02-21

    Most models of sensory processing in the brain have a feedforward architecture in which each stage comprises simple linear filtering operations and nonlinearities. Models of this form have been used to explain a wide range of neurophysiological and psychophysical data, and many recent successes in artificial intelligence (with deep convolutional neural nets) are based on this architecture. However, neocortex is not a feedforward architecture. This paper proposes a first step toward an alternative computational framework in which neural activity in each brain area depends on a combination of feedforward drive (bottom-up from the previous processing stage), feedback drive (top-down context from the next stage), and prior drive (expectation). The relative contributions of feedforward drive, feedback drive, and prior drive are controlled by a handful of state parameters, which I hypothesize correspond to neuromodulators and oscillatory activity. In some states, neural responses are dominated by the feedforward drive and the theory is identical to a conventional feedforward model, thereby preserving all of the desirable features of those models. In other states, the theory is a generative model that constructs a sensory representation from an abstract representation, like memory recall. In still other states, the theory combines prior expectation with sensory input, explores different possible perceptual interpretations of ambiguous sensory inputs, and predicts forward in time. The theory, therefore, offers an empirically testable framework for understanding how the cortex accomplishes inference, exploration, and prediction.

  13. Compatible quantum theory

    International Nuclear Information System (INIS)

    Friedberg, R; Hohenberg, P C

    2014-01-01

    Formulations of quantum mechanics (QM) can be characterized as realistic, operationalist, or a combination of the two. In this paper a realistic theory is defined as describing a closed system entirely by means of entities and concepts pertaining to the system. An operationalist theory, on the other hand, requires in addition entities external to the system. A realistic formulation comprises an ontology, the set of (mathematical) entities that describe the system, and assertions, the set of correct statements (predictions) the theory makes about the objects in the ontology. Classical mechanics is the prime example of a realistic physical theory. A straightforward generalization of classical mechanics to QM is hampered by the inconsistency of quantum properties with classical logic, a circumstance that was noted many years ago by Birkhoff and von Neumann. The present realistic formulation of the histories approach originally introduced by Griffiths, which we call ‘compatible quantum theory (CQT)’, consists of a ‘microscopic’ part (MIQM), which applies to a closed quantum system of any size, and a ‘macroscopic’ part (MAQM), which requires the participation of a large (ideally, an infinite) system. The first (MIQM) can be fully formulated based solely on the assumption of a Hilbert space ontology and the noncontextuality of probability values, relying in an essential way on Gleason's theorem and on an application to dynamics due in large part to Nistico. Thus, the present formulation, in contrast to earlier ones, derives the Born probability formulas and the consistency (decoherence) conditions for frameworks. The microscopic theory does not, however, possess a unique corpus of assertions, but rather a multiplicity of contextual truths (‘c-truths’), each one associated with a different framework. This circumstance leads us to consider the microscopic theory to be physically indeterminate and therefore incomplete, though logically coherent. The

  14. Nevanlinna theory

    CERN Document Server

    Kodaira, Kunihiko

    2017-01-01

    This book deals with the classical theory of Nevanlinna on the value distribution of meromorphic functions of one complex variable, based on minimum prerequisites for complex manifolds. The theory was extended to several variables by S. Kobayashi, T. Ochiai, J. Carleson, and P. Griffiths in the early 1970s. K. Kodaira took up this subject in his course at The University of Tokyo in 1973 and gave an introductory account of this development in the context of his final paper, contained in this book. The first three chapters are devoted to holomorphic mappings from C to complex manifolds. In the fourth chapter, holomorphic mappings between higher dimensional manifolds are covered. The book is a valuable treatise on the Nevanlinna theory, of special interests to those who want to understand Kodaira's unique approach to basic questions on complex manifolds.

  15. Gauge theories

    International Nuclear Information System (INIS)

    Kenyon, I.R.

    1986-01-01

    Modern theories of the interactions between fundamental particles are all gauge theories. In the case of gravitation, application of this principle to space-time leads to Einstein's theory of general relativity. All the other interactions involve the application of the gauge principle to internal spaces. Electromagnetism serves to introduce the idea of a gauge field, in this case the electromagnetic field. The next example, the strong force, shows unique features at long and short range which have their origin in the self-coupling of the gauge fields. Finally the unification of the description of the superficially dissimilar electromagnetic and weak nuclear forces completes the picture of successes of the gauge principle. (author)

  16. Effective field theories

    International Nuclear Information System (INIS)

    Mack, G.; Kalkreuter, T.; Palma, G.; Speh, M.

    1992-05-01

    Effective field theories encode the predictions of a quantum field theory at low energy. The effective theory has a fairly low utraviolet cutoff. As a result, loop corrections are small, at least if the effective action contains a term which is quadratic in the fields, and physical predictions can be read straight from the effective Lagrangean. Methods will be discussed how to compute an effective low energy action from a given fundamental action, either analytically or numerically, or by a combination of both methods. Basically, the idea is to integrate out the high frequency components of fields. This requires the choice of a 'blockspin', i.e. the specification af a low frequency field as a function of the fundamental fields. These blockspins will be fields of the effective field theory. The blockspin need not be a field of the same type as one of the fundamental fields, and it may be composite. Special features of blockspin in nonabelian gauge theories will be discussed in some detail. In analytical work and in multigrid updating schemes one needs interpolation kernels A from coarse to fine grid in addition to the averaging kernels C which determines the blockspin. A neural net strategy for finding optimal kernels is presented. Numerical methods are applicable to obtain actions of effective theories on lattices of finite volume. The special case of a 'lattice' with a single site (the constraint effective potential) is of particular interest. In a higgs model, the effective action reduces in this case to the free energy, considered as a function of a gauge covariant magnetization. Its shape determines the phase structure of the theory. Its loop expansion with and without gauge fields can be used to determine finite size corrections to numerical data. (orig.)

  17. Galois theory

    CERN Document Server

    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

  18. Scattering theory

    International Nuclear Information System (INIS)

    Sitenko, A.

    1991-01-01

    This book emerged out of graduate lectures given by the author at the University of Kiev and is intended as a graduate text. The fundamentals of non-relativistic quantum scattering theory are covered, including some topics, such as the phase-function formalism, separable potentials, and inverse scattering, which are not always coverded in textbooks on scattering theory. Criticisms of the text are minor, but the reviewer feels an inadequate index is provided and the citing of references in the Russian language is a hindrance in a graduate text

  19. Concept theory and semiotics in knowledge organization

    DEFF Research Database (Denmark)

    Friedman, Alon; Thellefsen, Martin

    2011-01-01

    Purpose - The paper explores the basics of semiotic analysis and concept theory that represents two dominant approaches to knowledge representation, and explores how these approaches are fruitful for knowledge organization. Design/methodology/approach - In particular the semiotic theory formulated....../value - This paper is the first paper that combines theories of knowledge representation, semiotic and concept theory, within the context of knowledge organization....... by the American philosopher C.S. Peirce and the concept theory formulated by Ingetraut Dahlberg is investigated. The objective of this paper is to compare the differences and similarities between these two theories of knowledge representation. Findings - The semiotic model is a general and unrestricted model...

  20. Leadership Theories.

    Science.gov (United States)

    Sferra, Bobbie A.; Paddock, Susan C.

    This booklet describes various theoretical aspects of leadership, including the proper exercise of authority, effective delegation, goal setting, exercise of control, assignment of responsibility, performance evaluation, and group process facilitation. It begins by describing the evolution of general theories of leadership from historic concepts…

  1. Combinatorial Theory

    CERN Document Server

    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.

  2. Control Theory.

    Science.gov (United States)

    Toso, Robert B.

    2000-01-01

    Inspired by William Glasser's Reality Therapy ideas, Control Theory (CT) is a disciplinary approach that stresses people's ability to control only their own behavior, based on internal motivations to satisfy five basic needs. At one North Dakota high school, CT-trained teachers are the program's best recruiters. (MLH)

  3. Framing theory

    NARCIS (Netherlands)

    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

  4. Electricity Theory

    International Nuclear Information System (INIS)

    Gong, Ha Soung

    2006-12-01

    The text book composed of five parts, which are summary of this book, arrangement of electricity theory including electricity nad magnetism, a direct current, and alternating current. It has two dictionary electricity terms for a synonym. The last is an appendix. It is for preparing for test of officer, electricity engineer and fire fighting engineer.

  5. Theory U

    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...

  6. Theory U

    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. Specifically...

  7. Communication Theory.

    Science.gov (United States)

    Penland, Patrick R.

    Three papers are presented which delineate the foundation of theory and principles which underlie the research and instructional approach to communications at the Graduate School of Library and Information Science, University of Pittsburgh. Cybernetic principles provide the integration, and validation is based in part on a situation-producing…

  8. Complexity Theory

    Science.gov (United States)

    Lee, William H K.

    2016-01-01

    A complex system consists of many interacting parts, generates new collective behavior through self organization, and adaptively evolves through time. Many theories have been developed to study complex systems, including chaos, fractals, cellular automata, self organization, stochastic processes, turbulence, and genetic algorithms.

  9. Matching theory

    CERN Document Server

    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.

  10. Activity Theory

    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....

  11. M theory on deformed superspace

    Science.gov (United States)

    Faizal, Mir

    2011-11-01

    In this paper we will analyze a noncommutative deformation of the Aharony-Bergman-Jafferis-Maldacena (ABJM) theory in N=1 superspace formalism. We will then analyze the Becchi-Rouet-Stora-Tyutin (BRST) and anti-BRST symmetries for this deformed ABJM theory, and its linear as well as nonlinear gauges. We will show that the sum of the gauge fixing term and the ghost term for this deformed ABJM theory can be expressed as a combination of the total BRST and the total anti-BRST variation, in Landau and nonlinear gauges. We will show that in Landau and Curci-Ferrari gauges deformed ABJM theory is invariant under an additional set of symmetry transformations. We will also discuss the effect that the addition of a bare mass term has on this theory.

  12. Molecular structure, chemical reactivity, nonlinear optical activity and vibrational spectroscopic studies on 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one: A combined density functional theory and experimental approach

    Science.gov (United States)

    Pegu, David; Deb, Jyotirmoy; Saha, Sandip Kumar; Paul, Manoj Kumar; Sarkar, Utpal

    2018-05-01

    In this work, we have synthesized new coumarin Schiff base molecule, viz., 6-(4-n-heptyloxybenzyoloxy)-2-hydroxybenzylidene)amino)-2H-chromen-2-one and characterized its structural, electronic and spectroscopic properties experimentally and theoretically. The theoretical analysis of UV-visible absorption spectra reflects a red shift in the absorption maximum in comparison to the experimental results. Most of the vibrational assignments of infrared and Raman spectra predicted using density functional theory approach match well with the experimental findings. Further, the chemical reactivity analysis confirms that solvent highly affects the reactivity of the studied compound. The large hyperpolarizability value of the compound concludes that the system exhibits significant nonlinear optical features and thus, points out their possibility in designing material with high nonlinear activity.

  13. Communication theory

    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...

  14. Operator theory

    CERN Document Server

    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.

  15. Potential theory

    CERN Document Server

    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 ...

  16. Practical theories

    DEFF Research Database (Denmark)

    Jensen, Klaus Bruhn

    2016-01-01

    This article revisits the place of normative and other practical issues in the wider conceptual architecture of communication theory, building on the tradition of philosophical pragmatism. The article first characterizes everyday concepts of communication as the accumulated outcome of natural...... 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...... communication theories that ask, in addition, what communication ought to be, and what it could be, taking the relationship between communication and justice as a case in point. The final section returns to empirical conceptualizations of different institutions, practices and discourses of communication...

  17. Gauge theories

    International Nuclear Information System (INIS)

    Jarlskog, C.

    An introduction to the unified gauge theories of weak and electromagnetic interactions is given. The ingredients of gauge theories and symmetries and conservation laws lead to discussion of local gauge invariance and QED, followed by weak interactions and quantum flavor dynamics. The construction of the standard SU(2)xU(1) model precedes discussion of the unification of weak and electromagnetic interactions and weak neutral current couplings in this model. Presentation of spontaneous symmetry breaking and spontaneous breaking of a local symmetry leads to a spontaneous breaking scheme for the standard SU(2)xU(1) model. Consideration of quarks, leptons, masses and the Cabibbo angles, of the four quark and six quark models and CP violation lead finally to grand unification, followed by discussion of mixing angles in the Georgi-Glashow model, the Higgses of the SU(5) model and proton/ neutron decay in SU(5). (JIW)

  18. Twistor theory

    International Nuclear Information System (INIS)

    Perjes, Z.

    1982-01-01

    Particle models in twistor theory are reviewed, starting with an introduction into the kinematical-twistor formalism which describes massive particles in Minkowski space-time. The internal transformations of constituent twistors are then discussed. The quantization rules available from a study of twistor scattering situations are used to construct quantum models of fundamental particles. The theory allows the introduction of an internal space with a Kaehlerian metric where hadron structure is described by spherical states of bound constituents. It is conjectured that the spectrum of successive families of hadrons might approach an accumulation point in energy. Above this threshold energy, the Kaehlerian analog of ionization could occur wherein the zero-mass constituents (twistors) of the particle break free. (Auth.)

  19. Biocultural Theory

    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...... 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...... forms of birth, growth, survival, mating, parenting, and sociality. Conversely, from the biocultural perspective, human biological processes are constrained, organized, and developed by culture, which includes technology, culturally specific socioeconomic and political structures, religious...

  20. Computability theory

    CERN Document Server

    Weber, Rebecca

    2012-01-01

    What can we compute--even with unlimited resources? Is everything within reach? Or are computations necessarily drastically limited, not just in practice, but theoretically? These questions are at the heart of computability theory. The goal of this book is to give the reader a firm grounding in the fundamentals of computability theory and an overview of currently active areas of research, such as reverse mathematics and algorithmic randomness. Turing machines and partial recursive functions are explored in detail, and vital tools and concepts including coding, uniformity, and diagonalization are described explicitly. From there the material continues with universal machines, the halting problem, parametrization and the recursion theorem, and thence to computability for sets, enumerability, and Turing reduction and degrees. A few more advanced topics round out the book before the chapter on areas of research. The text is designed to be self-contained, with an entire chapter of preliminary material including re...

  1. Elastoplasticity theory

    CERN Document Server

    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...

  2. Livability theory

    OpenAIRE

    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 like the life we live (happiness). Hence, happiness depends on need gratification. 4.Need gratification depends on both external living conditions and inner abilities to use these. Hence, bad living...

  3. Testing theories

    International Nuclear Information System (INIS)

    Casten, R F

    2015-01-01

    This paper discusses some simple issues that arise in testing models, with a focus on models for low energy nuclear structure. By way of simplified examples, we illustrate some dangers in blind statistical assessments, pointing out especially the need to include theoretical uncertainties, the danger of over-weighting precise or physically redundant experimental results, the need to assess competing theories with independent and physically sensitive observables, and the value of statistical tests properly evaluated. (paper)

  4. Variational formulation of two scalar-tetradic theories of gravitation

    International Nuclear Information System (INIS)

    Saez, D.

    1983-01-01

    In this paper we obtain two scalar-tetradic theories of gravitation (theories A and B) from a variational principle. In these theories the gravitational energy is localized and the principle of equivalence holds. They combine some aspects of Moller theory and the Brans-Dicke theory. The first-order approximations and an introduction to the study of both theories in the static spherically symmetric case are presented

  5. Scattering theory

    CERN Document Server

    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...

  6. Demystifying theory and its use in improvement

    Science.gov (United States)

    Davidoff, Frank; Dixon-Woods, Mary; Leviton, Laura; Michie, Susan

    2015-01-01

    The role and value of theory in improvement work in healthcare has been seriously underrecognised. We join others in proposing that more informed use of theory can strengthen improvement programmes and facilitate the evaluation of their effectiveness. Many professionals, including improvement practitioners, are unfortunately mystified—and alienated—by theory, which discourages them from using it in their work. In an effort to demystify theory we make the point in this paper that, far from being discretionary or superfluous, theory (‘reason-giving’), both informal and formal, is intimately woven into virtually all human endeavour. We explore the special characteristics of grand, mid-range and programme theory; consider the consequences of misusing theory or failing to use it; review the process of developing and applying programme theory; examine some emerging criteria of ‘good’ theory; and emphasise the value, as well as the challenge, of combining informal experience-based theory with formal, publicly developed theory. We conclude that although informal theory is always at work in improvement, practitioners are often not aware of it or do not make it explicit. The germane issue for improvement practitioners, therefore, is not whether they use theory but whether they make explicit the particular theory or theories, informal and formal, they actually use. PMID:25616279

  7. Metallic behavior and negative differential resistance properties of (InAs)n (n = 2 − 4) molecule cluster junctions via a combined non–equilibrium Green's function and density functional theory study

    International Nuclear Information System (INIS)

    Wang, Qi; Li, Rong; Xu, Yuanlan; Zhang, Jianbing; Miao, Xiangshui; Zhang, Daoli

    2014-01-01

    In this present work, the geometric structures and electronic transport properties of (InAs) n (n = 2, 3, 4) molecule cluster junctions are comparatively investigated using NEGF combined with DFT. Results indicate that all (InAs) n molecule cluster junctions present metallic behavior at the low applied biases ([−2V, 2V]), while NDR appears at a certain high bias range. Our calculation shows that the current of (InAs) 4 molecule cluster–based junction is almost the largest at any bias. The mechanisms of the current–voltage characteristics of all the three molecule cluster junctions are proposed.

  8. Tectonic Theory and Practice

    DEFF Research Database (Denmark)

    Frier, Marie; Fisker, Anna Marie; Kirkegaard, Poul Henning

    2010-01-01

    ’ is an example of this sensuous interior transformation of a house into a home, a level of detailing which is, however, seldom represented in the prefabricated house. Consequently, this paper investigates whether interiority can be developed as a tectonic theory and design principle for uniting home and system...... and assembly processes, seems a paradoxical challenge which has left prefabricated houses raw constructions rather than inhabitable homes. Based on the hypothesis that home is determined spatially via sensuous impressions of interiority at the threshold of furniture: The bath in Le Corbusier’s ‘Villa Savoye...... in the development of novel prefab solutions. This is pursued trough a deductive study comparing Gottfried Semper’s theories on the origins of construction with Werner Blaser’s technical and practical studies of the joint. In combining Blaser’s constructive understanding of the joint with the interior softness...

  9. Theory of stable allocations

    Directory of Open Access Journals (Sweden)

    Pantelić Svetlana

    2014-01-01

    Full Text Available The Swedish Royal Academy awarded the 2012 Nobel Prize in Economics to Lloyd Shapley and Alvin Roth, for the theory of stable allocations and the practice of market design. These two American researchers worked independently from each other, combining basic theory and empirical investigations. Through their experiments and practical design they generated a flourishing field of research and improved the performance of many markets. Born in 1923 in Cambridge, Massachusetts, Shapley defended his doctoral thesis at Princeton University in 1953. For many years he worked at RAND, and for more than thirty years he was a professor at UCLA University. He published numerous scientific papers, either by himself or in cooperation with other economists.

  10. Combinations of complex dynamical systems

    CERN Document Server

    Pilgrim, Kevin M

    2003-01-01

    This work is a research-level monograph whose goal is to develop a general combination, decomposition, and structure theory for branched coverings of the two-sphere to itself, regarded as the combinatorial and topological objects which arise in the classification of certain holomorphic dynamical systems on the Riemann sphere. It is intended for researchers interested in the classification of those complex one-dimensional dynamical systems which are in some loose sense tame. The program is motivated by the dictionary between the theories of iterated rational maps and Kleinian groups.

  11. Persistence of Mixed and Non-intermediate Valence in the High-Pressure Structure of Silver(I,III) Oxide, AgO: A Combined Raman, X-ray Diffraction (XRD), and Density Functional Theory (DFT) Study.

    Science.gov (United States)

    Grzelak, Adam; Gawraczyński, Jakub; Jaroń, Tomasz; Somayazulu, Maddury; Derzsi, Mariana; Struzhkin, Viktor; Grochala, Wojciech

    2017-05-15

    The X-ray diffraction data collected up to ca. 56 GPa and the Raman spectra measured up to 74.8 GPa for AgO, or Ag I Ag III O 2 , which is a prototypical mixed valence (disproportionated) oxide, indicate that two consecutive phase transitions occur: the first-order phase transition occurs between 16.1 GPa and 19.7 GPa, and a second-order phase transition occurs at ca. 40 GPa. All polymorphic forms host the square planar [Ag III O 4 ] units typical of low-spin Ag III . The disproportionated Imma form persists at least up to 74.8 GPa, as indicated by Raman spectra. Theoretical hybrid density functional theory (DFT) calculations show that the first-order transition is phonon-driven. AgO stubbornly remains disproportionated up to at least 100 GPa-in striking contrast to its copper analogue-and the fundamental band gap of AgO is ∼0.3 eV at this pressure and is weakly pressure-dependent. Metallization of AgO is yet to be achieved.

  12. Communication theory

    CERN Document Server

    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.

  13. Design theory

    CERN Document Server

    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.

  14. International business theory and marketing theory

    OpenAIRE

    Soldner, Helmut

    1984-01-01

    International business theory and marketing theory : elements for internat. marketing theory building. - In: Marketing aspects of international business / Gerald M. Hampton ... (eds.). - Boston u.a. : Kluwer, 1984. - S. 25-57

  15. Investigations into quantum theory and relativity theory

    International Nuclear Information System (INIS)

    Cox, I.D.

    1982-03-01

    This thesis falls into two parts. The first is concerned with damping theory as a particular approach to the description of the dynamical evolution of non-closed systems. Appealing ultimately to the Liouville/Von-Neuman equation in the weak coupling regime, the current-voltage characteristics of both the normal and Josephson tunnelling junctions, treated as open systems are obtained. It is then shown that the same results may be obtained via the combined scattering and density matrix formalism (which does not appeal to the Liouville/Von-Neuman equation), and that this method has certain advantages over the conventional formalism. In the second part an extended (non-quantum) theory of relativity in a five dimensional space is developed and a number of interesting consequences thereof obtained. In particular a generalised set of Maxwell equations for electro-dynamics is derived, and some of the implications of the new set of equations are described. Furthermore a treatment of the five-dimensional analogue of the Schwarzschild problem in general relativity is given, together with the resulting implications for planetary motion. (author)

  16. DESY: Theory with flavour

    International Nuclear Information System (INIS)

    Rueckl, R.

    1989-01-01

    Last year, the annual Theory Workshop at the German DESY Laboratory in Hamburg had 'Flavour Physics' as its main theme. The sighting by the UA1 experiment at CERN's proton-antiproton collider and by the ARGUS team at DESY of 'oscillations' in the electrically neutral B mesons carrying the beauty quantum number, and the measurement at CERN of a new parameter in the delicate violation of combined particle-antiparticle and left-right symraetry (CP) in the decays of neutral kaons have made this subject particularly topical

  17. DESY: Theory with flavour

    Energy Technology Data Exchange (ETDEWEB)

    Rueckl, R.

    1989-03-15

    Last year, the annual Theory Workshop at the German DESY Laboratory in Hamburg had 'Flavour Physics' as its main theme. The sighting by the UA1 experiment at CERN's proton-antiproton collider and by the ARGUS team at DESY of 'oscillations' in the electrically neutral B mesons carrying the beauty quantum number, and the measurement at CERN of a new parameter in the delicate violation of combined particle-antiparticle and left-right symraetry (CP) in the decays of neutral kaons have made this subject particularly topical.

  18. Options theory

    International Nuclear Information System (INIS)

    Markland, J.T.

    1992-01-01

    Techniques used in conventional project appraisal are mathematically very simple in comparison to those used in reservoir modelling, and in the geosciences. Clearly it would be possible to value assets in mathematically more sophisticated ways if it were meaningful and worthwhile so to do. The DCf approach in common use has recognized limitations; the inability to select a meaningful discount rate being particularly significant. Financial Theory has advanced enormously over the last few years, along with computational techniques, and methods are beginning to appear which may change the way we do project evaluations in practice. The starting point for all of this was a paper by Black and Scholes, which asserts that almost all corporate liabilities can be viewed as options of varying degrees of complexity. Although the financial presentation may be unfamiliar to engineers and geoscientists, some of the concepts used will not be. This paper outlines, in plain English, the basis of option pricing theory for assessing the market value of a project. it also attempts to assess the future role of this type of approach in practical Petroleum Exploration and Engineering economics. Reference is made to relevant published Natural Resource literature

  19. Carbon-supported iron complexes as electrocatalysts for the cogeneration of hydroxylamine and electricity in a NO-H2 fuel cell: A combined electrochemical and density functional theory study

    Science.gov (United States)

    Sheng, Xia; Alvarez-Gallego, Yolanda; Dominguez-Benetton, Xochitl; Baert, Kitty; Hubin, Annick; Zhao, Hailiang; Mihaylov, Tzvetan T.; Pierloot, Kristine; Vankelecom, Ivo F. J.; Pescarmona, Paolo P.

    2018-06-01

    Carbon-supported iron complexes were investigated as electrocatalysts for the reduction of nitric oxide (NO) in a H2-NO fuel cell conceived for the production of hydroxylamine (NH2OH) with concomitant generation of electricity. Two types of iron complexes with tetradentate ligands, namely bis(salicylidene)ethylenediimine (Salen) and phthalocyanine (Pc), supported on activated carbon or graphite were prepared and evaluated as electrocatalysts, either without further treatment or after pyrolysis at 700 °C. The performance in the reduction of NO of gas diffusion cathodes based on these electrocatalysts was investigated in an electrochemical half cell (3-electrode configuration) using linear sweep voltammetry (LSV). The most promising electrocatalysts were studied further by chronoamperometric experiments in a H2-NO fuel cell, which allowed comparison in terms of power output and hydroxylamine production. Depending on the concentration of the NO feed (6 or 18%), the best electrocatalytic performance was delivered either by FePc or FeSalen. The gas diffusion electrode based on FeSalen supported on activated carbon with 0.3 wt% Fe-loading provided the highest current density (86 A/m2) and the best current efficiency (43%) towards the desired NH2OH when operating at the higher NO concentration (18%). Moreover, FeSalen offers the advantage of being cheaper than FePc. The experimental work was complemented by density functional theory (DFT) calculations, which allowed to shed more light on the reaction mechanism for the reduction of nitric oxide at the atomistic level.

  20. Degenerate conformal theories on higher-genus surfaces

    International Nuclear Information System (INIS)

    Gerasimov, A.A.

    1989-01-01

    Two-dimensional degenerate field theories on higher-genus surfaces are investigated. Objects are built on the space of moduli, whose linear combinations are hypothetically conformal blocks in degenerate theories

  1. "Cursos A", una modalidad de formación del profesorado para aunar teoría y práctica. "Courses A", a method for teacher Trainig to combine Theory and Practice.

    Directory of Open Access Journals (Sweden)

    Mª Victoria Cabieces Ibarrondo

    2014-12-01

    Full Text Available (ES En los años 90 el Ministerio de Educación y Ciencia español, a través de sus Programas de For-mación del Profesorado, realizó avances importantes en la cantidad y calidad de la formación docente, porque fueron conscientes de que la formación del profesorado es un componente clave para la mejora de la calidad de la educación. Esa convicción le llevó a plantear distintas modalidades de formación tratando de dar respuestas variadas a esa compleja necesidad. Era el inicio de la formación institucional del profesorado que supuso un revulsivo para muchos educadores que a raíz de su participación en actividades formativas, modificaron sus prácticas y su concepción de la profesión docente. Es por esto que pensamos merece la pena analizar cómo se planteaban y llevaban a la práctica determinadas modalidades de formación que trataban de compaginar teoría y práctica. (EN In the 90's, through its Teaching Training Programs, the Spanish Science & Education Ministry made important progress in the quantity and quality of teaching training because they realized that the learning of teachers is a key component for the improvement of the quality of education. This conviction led them to propose several forms of training in trying to give a variety of an-swers to this complex need. It was the start of institutional teacher training which was a shock to many educators who, through their participation in training activities, changed their practices and their understanding of the teaching profession. This is why we believe that it is worth studying how the specific forms of training were planned and implemented to integrate theory and practice.

  2. Generalizing Prototype Theory: A Formal Quantum Framework

    Science.gov (United States)

    Aerts, Diederik; Broekaert, Jan; Gabora, Liane; Sozzo, Sandro

    2016-01-01

    Theories of natural language and concepts have been unable to model the flexibility, creativity, context-dependence, and emergence, exhibited by words, concepts and their combinations. The mathematical formalism of quantum theory has instead been successful in capturing these phenomena such as graded membership, situational meaning, composition of categories, and also more complex decision making situations, which cannot be modeled in traditional probabilistic approaches. We show how a formal quantum approach to concepts and their combinations can provide a powerful extension of prototype theory. We explain how prototypes can interfere in conceptual combinations as a consequence of their contextual interactions, and provide an illustration of this using an intuitive wave-like diagram. This quantum-conceptual approach gives new life to original prototype theory, without however making it a privileged concept theory, as we explain at the end of our paper. PMID:27065436

  3. Generalizing Prototype Theory: A Formal Quantum Framework

    Directory of Open Access Journals (Sweden)

    Diederik eAerts

    2016-03-01

    Full Text Available Theories of natural language and concepts have been unable to model the flexibility, creativity, context-dependence, and emergence, exhibited by words, concepts and their combinations. The mathematical formalism of quantum theory has instead been successful in capturing these phenomena such as graded membership, situational meaning, composition of categories, and also more complex decision making situations, which cannot be modeled in traditional probabilistic approaches. We show how a formal quantum approach to concepts and their combinations can provide a powerful extension of prototype theory. We explain how prototypes can interfere in conceptual combinations as a consequence of their contextual interactions, and provide an illustration of this using an intuitive wave-like diagram. This quantum-conceptual approach gives new life to original prototype theory, without however making it a privileged concept theory, as we explain at the end of our paper.

  4. Electric theory

    International Nuclear Information System (INIS)

    Gong, Ha Seong

    2006-02-01

    This book explains electric theory which is divided into four chapters. The first chapter includes electricity and material, electric field, capacitance, magnetic field and electromagnetic force, inductance. The second chapter mentions electronic circuit analysis, electric resistance,heating and power, chemical activity on current and battery with electrolysis. The third chapter deals with an alternating current circuit about the basics of an AC circuit, operating of resistance, inductance and capacitance, series circuit and parallel circuit of PLC, an alternating current circuit, Three-phase Alternating current, two terminal pair network and voltage and current of non-linearity circuit. The last explains transient phenomena of RC series circuit, RL series circuit, transient phenomena of an alternating current circuit and transient phenomena of RLC series circuit.

  5. Sustainablegrowth theories

    International Nuclear Information System (INIS)

    Nobile, G.

    1993-07-01

    With reference to highly debated sustainable growth strategies to counter pressing interrelated global environmental and socio-economic problems, this paper reviews economic and resource development theories proposed by classical and neoclassical economists. The review evidences the growing debate among public administration decision makers regarding appropriate methods to assess the worth of natural resources and ecosystems. Proposed methods tend to be biased either towards environmental protection or economic development. Two major difficulties in the effective implementation of sustainable growth strategies are also evidenced - the management of such strategies would require appropriate revisions to national accounting systems, and the dynamic flow of energy and materials between an economic system and the environment would generate a sequence of unstable structures evolving in a chaotic and unpredictable way

  6. Group theory and its applications

    CERN Document Server

    Patra, Prasanta Kumar

    2018-01-01

    Every molecule possesses symmetry and hence has symmetry operations and symmetry elements. From symmetry properties of a system we can deduce its significant physical results. Consequently it is essential to operations of a system forms a group. Group theory is an abstract mathematical tool that underlies the study of symmetry and invariance. By using the concepts of symmetry and group theory, it is possible to obtain the members of complete set of known basis functions of the various irreducible representations of the group. I practice this is achieved by applying the projection operators to linear combinations of atomic orbital (LCAO) when the valence electrons are tightly bound to the ions, to orthogonalized plane waves (OPW) when valence electrons are nearly free and to the other given functions that are judged to the particular system under consideration. In solid state physics the group theory is indispensable in the context of finding the energy bands of electrons in solids. Group theory can be applied...

  7. An introduction to relativistic quantum field theory

    CERN Document Server

    Schweber, Silvan S

    1961-01-01

    Complete, systematic, and self-contained, this text introduces modern quantum field theory. "Combines thorough knowledge with a high degree of didactic ability and a delightful style." - Mathematical Reviews. 1961 edition.

  8. A Future of Communication Theory: Systems Theory.

    Science.gov (United States)

    Lindsey, Georg N.

    Concepts of general systems theory, cybernetics and the like may provide the methodology for communication theory to move from a level of technology to a level of pure science. It was the purpose of this paper to (1) demonstrate the necessity of applying systems theory to the construction of communication theory, (2) review relevant systems…

  9. Graph-based linear scaling electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-21

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

  10. The conceptual basis of Quantum Field Theory

    NARCIS (Netherlands)

    Hooft, G. 't

    2005-01-01

    Relativistic Quantum Field Theory is a mathematical scheme to describe the sub-atomic particles and forces. The basic starting point is that the axioms of Special Relativity on the one hand and those of Quantum Mechanics on the other, should be combined into one theory. The fundamental

  11. Group Theory, Computational Thinking, and Young Mathematicians

    Science.gov (United States)

    Gadanidis, George; Clements, Erin; Yiu, Chris

    2018-01-01

    In this article, we investigate the artistic puzzle of designing mathematics experiences (MEs) to engage young children with ideas of group theory, using a combination of hands-on and computational thinking (CT) tools. We elaborate on: (1) group theory and why we chose it as a context for young mathematicians' experiences with symmetry and…

  12. A Partial Theory of Executive Succession.

    Science.gov (United States)

    Thiemann, Francis C.

    This study has two purposes: (1) To construct a partial theory of succession, and (2) to utilize a method of theory construction which combines some of the concepts of Hans Zetterberg with the principles of formal symbolic logic. A bibliography on succession in complex organizations with entries on descriptive and empirical studies from various…

  13. Toward a Unified Theory of Human Reasoning.

    Science.gov (United States)

    Sternberg, Robert J.

    1986-01-01

    The goal of this unified theory of human reasoning is to specify what constitutes reasoning and to characterize the psychological distinction between inductive and deductive reasoning. The theory views reasoning as the controlled and mediated application of three processes (encoding, comparison and selective combination) to inferential rules. (JAZ)

  14. Situational theory of leadership.

    Science.gov (United States)

    Waller, D J; Smith, S R; Warnock, J T

    1989-11-01

    The situational theory of leadership and the LEAD instruments for determining leadership style are explained, and the application of the situational leadership theory to the process of planning for and implementing organizational change is described. Early studies of leadership style identified two basic leadership styles: the task-oriented autocratic style and the relationship-oriented democratic style. Subsequent research found that most leaders exhibited one of four combinations of task and relationship behaviors. The situational leadership theory holds that the difference between the effectiveness and ineffectiveness of the four leadership styles is the appropriateness of the leader's behavior to the particular situation in which it is used. The task maturity of the individual or group being led must also be accounted for; follower readiness is defined in terms of the capacity to set high but attainable goals, willingness or ability to accept responsibility, and possession of the necessary education or experience for a specific task. A person's leadership style, range, and adaptability can be determined from the LEADSelf and LEADOther questionnaires. By applying the principles of the situational leadership theory and adapting their managerial styles to specific tasks and levels of follower maturity, the authors were successful in implementing 24-hour pharmacokinetic dosing services provided by staff pharmacists with little previous experience in clinical services. The situational leadership model enables a leader to identify a task, set goals, determine the task maturity of the individual or group, select an appropriate leadership style, and modify the style as change occurs. Pharmacy managers can use this model when implementing clinical pharmacy services.

  15. Rate theory

    International Nuclear Information System (INIS)

    Maillard, S.; Skorek, R.; Maugis, P.; Dumont, M.

    2015-01-01

    This chapter presents the basic principles of cluster dynamics as a particular case of mesoscopic rate theory models developed to investigate fuel behaviour under irradiation such as in UO 2 . It is shown that as this method simulates the evolution of the concentration of every type of point or aggregated defect in a grain of material. It produces rich information that sheds light on the mechanisms involved in microstructure evolution and gas behaviour that are not accessible through conventional models but yet can provide for improvements in those models. Cluster dynamics parameters are mainly the energetic values governing the basic evolution mechanisms of the material (diffusion, trapping and thermal resolution). In this sense, the model has a general applicability to very different operational situations (irradiation, ion-beam implantation, annealing) provided that they rely on the same basic mechanisms, without requiring additional data fitting, as is required for more empirical conventional models. This technique, when applied to krypton implanted and annealed samples, yields a precise interpretation of the release curves and helps assess migration mechanisms and the krypton diffusion coefficient, for which data is very difficult to obtain due to the low solubility of the gas. (authors)

  16. An Aspirational Community Theory of the Firm

    DEFF Research Database (Denmark)

    Li, Xin

    propose an aspirational community theory of the firm (ACT) as a candidate theory by conceptualizing the firm as an aspirational community, the core of which is a group of like-minded people sharing similar or same aspiration/vision. To explain the existence of the firm, we make a distinction between......All of the three major theories of the firm, i.e., the transaction cost theory, knowledge-based theory and the entrepreneurship theory, offer some insightful analyses of the nature of the firm. However, they all have limitations and weaknesses in answering the fundamental question of the existence...... of the firm. In addition, they are all partial due to their particular focus on the multifaceted phenomenon of the firm. We argue that it is necessary and sufficient to develop a comprehensive yet integrative theory of the firm that combines the three competing yet complementary logics. Toward this end, we...

  17. Eight myths on motivating social services workers: theory-based perspectives.

    Science.gov (United States)

    Latting, J K

    1991-01-01

    A combination of factors has made formal motivational and reward systems rare in human service organizations generally and virtually non-existent in social service agencies. The author reviews eight of these myths by reference to eight motivational theories which refute them: need theory, expectancy theory, feedback theory, equity theory, reinforcement theory, cognitive evaluation theory, goal setting theory, and social influence theory. Although most of these theories have been developed and applied in the private sector, relevant research has also been conducted in social service agencies. The author concludes with a summary of guidelines suggested by the eight theories for motivating human service workers.

  18. Recent developments in switching theory

    CERN Document Server

    Mukhopadhyay, Amar

    2013-01-01

    Electrical Science Series: Recent Developments in Switching Theory covers the progress in the study of the switching theory. The book discusses the simplified proof of Post's theorem on completeness of logic primitives; the role of feedback in combinational switching circuits; and the systematic procedure for the design of Lupanov decoding networks. The text also describes the classical results on counting theorems and their application to the classification of switching functions under different notions of equivalence, including linear and affine equivalences. The development of abstract har

  19. AN EDUCATIONAL THEORY MODEL--(SIGGS), AN INTEGRATION OF SET THEORY, INFORMATION THEORY, AND GRAPH THEORY WITH GENERAL SYSTEMS THEORY.

    Science.gov (United States)

    MACCIA, ELIZABETH S.; AND OTHERS

    AN ANNOTATED BIBLIOGRAPHY OF 20 ITEMS AND A DISCUSSION OF ITS SIGNIFICANCE WAS PRESENTED TO DESCRIBE CURRENT UTILIZATION OF SUBJECT THEORIES IN THE CONSTRUCTION OF AN EDUCATIONAL THEORY. ALSO, A THEORY MODEL WAS USED TO DEMONSTRATE CONSTRUCTION OF A SCIENTIFIC EDUCATIONAL THEORY. THE THEORY MODEL INCORPORATED SET THEORY (S), INFORMATION THEORY…

  20. RENEWAL OF BASIC LAWS AND PRINCIPLES FOR POLAR CONTINUUM THEORIES (Ⅱ)-MICROMORPHIC CONTINUUM THEORY AND COUPLE STRESS THEORY

    Institute of Scientific and Technical Information of China (English)

    戴天民

    2003-01-01

    The purpose is to reestablish the balance laws of momentum, angular momentumand energy and to derive the corresponding local and nonlocal balance equations formicromorphic continuum mechanics and couple stress theory. The desired results formicromorphic continuum mechanics and couple stress theory are naturally obtained via directtransitions and reductions from the coupled conservation law of energy for micropolarcontinuum theory, respectively. The basic balance laws and equation s for micromorphiccontinuum mechanics and couple stress theory are constituted by combining these resultsderived here and the traditional conservation laws and equations of mass and microinertiaand the entropy inequality. The incomplete degrees of the former related continuum theoriesare clarified. Finally, some special cases are conveniently derived.

  1. Recursion Theory Week

    CERN Document Server

    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.

  2. K-theory and representation theory

    International Nuclear Information System (INIS)

    Kuku, A.O.

    2003-01-01

    This contribution includes K-theory of orders, group-rings and modules over EI categories, equivariant higher algebraic K-theory for finite, profinite and compact Lie group actions together with their relative generalisations and applications

  3. Monopole charges in unified gauge theories

    CERN Document Server

    Chan Hong Mo

    1981-01-01

    Monopole charges, being global quantities, depend on the gauge group of a theory, which in turn is determined by the representations of all its fields. For example, chromodynamics in its present form when combined with electrodynamics has as its gauge group not SU(3)*U(1) but a 'smaller' group U(3). The specification of monopole charges for a theory can thus be quite intricate. The authors report the result of an investigation in several current gauge theories. Of particular interest is the possible existence in some theories of monopoles carrying multiplicative charges. As a by-product, some earlier assertions seem to be incorrect, are clarified. (16 refs).

  4. Theory and practice in mathematics teacher education

    DEFF Research Database (Denmark)

    Østergaard, Kaj

    2016-01-01

    to the ATD, it is illustrated with an example on addition of fractions how the notions of didactic transposition and praxeology can be used to analyse the theory-practice relation in this situation. Build on this analysis, the two models are combined into a more comprehensive model for describing......The challenge of establishing an interplay between theory and practice in mathematics teacher education is examined by the use of the anthropological theory of the didactic (ATD). The theory-practice problem is described both in an international and a Danish context. After a brief introduction...

  5. Theory of coherent resonance energy transfer

    International Nuclear Information System (INIS)

    Jang, Seogjoo; Cheng, Y.-C.; Reichman, David R.; Eaves, Joel D.

    2008-01-01

    A theory of coherent resonance energy transfer is developed combining the polaron transformation and a time-local quantum master equation formulation, which is valid for arbitrary spectral densities including common modes. The theory contains inhomogeneous terms accounting for nonequilibrium initial preparation effects and elucidates how quantum coherence and nonequilibrium effects manifest themselves in the coherent energy transfer dynamics beyond the weak resonance coupling limit of the Foerster and Dexter (FD) theory. Numerical tests show that quantum coherence can cause significant changes in steady state donor/acceptor populations from those predicted by the FD theory and illustrate delicate cooperation of nonequilibrium and quantum coherence effects on the transient population dynamics.

  6. Introductory Tiling Theory for Computer Graphics

    CERN Document Server

    Kaplan, Craig

    2009-01-01

    Tiling theory is an elegant branch of mathematics that has applications in several areas of computer science. The most immediate application area is graphics, where tiling theory has been used in the contexts of texture generation, sampling theory, remeshing, and of course the generation of decorative patterns. The combination of a solid theoretical base (complete with tantalizing open problems), practical algorithmic techniques, and exciting applications make tiling theory a worthwhile area of study for practitioners and students in computer science. This synthesis lecture introduces the math

  7. Analyzing Test-Taking Behavior: Decision Theory Meets Psychometric Theory.

    Science.gov (United States)

    Budescu, David V; Bo, Yuanchao

    2015-12-01

    We investigate the implications of penalizing incorrect answers to multiple-choice tests, from the perspective of both test-takers and test-makers. To do so, we use a model that combines a well-known item response theory model with prospect theory (Kahneman and Tversky, Prospect theory: An analysis of decision under risk, Econometrica 47:263-91, 1979). Our results reveal that when test-takers are fully informed of the scoring rule, the use of any penalty has detrimental effects for both test-takers (they are always penalized in excess, particularly those who are risk averse and loss averse) and test-makers (the bias of the estimated scores, as well as the variance and skewness of their distribution, increase as a function of the severity of the penalty).

  8. Gravity, general relativity theory and alternative theories

    International Nuclear Information System (INIS)

    Zel'dovich, Ya.B.; Grishchuk, L.P.; Moskovskij Gosudarstvennyj Univ.

    1986-01-01

    The main steps in plotting the current gravitation theory and some prospects of its subsequent development are reviewed. The attention is concentrated on a comparison of the relativistic gravitational field with other physical fields. Two equivalent formulations of the general relativity (GR) - geometrical and field-theoretical - are considered in detail. It is shown that some theories of gravity constructed as the field theories at a flat background space-time are in fact just different formulations of GR and not alternative theories

  9. Generalizability theory and item response theory

    OpenAIRE

    Glas, Cornelis A.W.; Eggen, T.J.H.M.; Veldkamp, B.P.

    2012-01-01

    Item response theory is usually applied to items with a selected-response format, such as multiple choice items, whereas generalizability theory is usually applied to constructed-response tasks assessed by raters. However, in many situations, raters may use rating scales consisting of items with a selected-response format. This chapter presents a short overview of how item response theory and generalizability theory were integrated to model such assessments. Further, the precision of the esti...

  10. String Theory and M-Theory

    Science.gov (United States)

    Becker, Katrin; Becker, Melanie; Schwarz, John H.

    String theory is one of the most exciting and challenging areas of modern theoretical physics. This book guides the reader from the basics of string theory to recent developments. It introduces the basics of perturbative string theory, world-sheet supersymmetry, space-time supersymmetry, conformal field theory and the heterotic string, before describing modern developments, including D-branes, string dualities and M-theory. It then covers string geometry and flux compactifications, applications to cosmology and particle physics, black holes in string theory and M-theory, and the microscopic origin of black-hole entropy. It concludes with Matrix theory, the AdS/CFT duality and its generalizations. This book is ideal for graduate students and researchers in modern string theory, and will make an excellent textbook for a one-year course on string theory. It contains over 120 exercises with solutions, and over 200 homework problems with solutions available on a password protected website for lecturers at www.cambridge.org/9780521860697. Comprehensive coverage of topics from basics of string theory to recent developments Ideal textbook for a one-year course in string theory Includes over 100 exercises with solutions Contains over 200 homework problems with solutions available to lecturers on-line

  11. Theory of Digital Automata

    CERN Document Server

    Borowik, Bohdan; Lahno, Valery; Petrov, Oleksandr

    2013-01-01

    This book serves a dual purpose: firstly to combine the treatment of circuits and digital electronics, and secondly, to establish a strong connection with the contemporary world of digital systems. The need for this approach arises from the observation that introducing digital electronics through a course in traditional circuit analysis is fast becoming obsolete. Our world has gone digital. Automata theory helps with the design of digital circuits such as parts of computers, telephone systems and control systems. A complete perspective is emphasized, because even the most elegant computer architecture will not function without adequate supporting circuits. The focus is on explaining the real-world implementation of complete digital systems. In doing so, the reader is prepared to immediately begin design and implementation work. This work serves as a bridge to take readers from the theoretical world to the everyday design world where solutions must be complete to be successful.

  12. Dielectric lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1983-06-01

    Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)epsilong that are attached to the links b = (x+esub(μ),x) of the lattice and take their values in the linear space g which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)osub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportionalosub(i)osub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson loop expectation values show an area law decay, if the Euclidean action has certain qualitative features which imply that PHI = 0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

  13. Dielectric lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1984-01-01

    Dielectric lattice gauge theory models are introduced. They involve variables PHI(b)element ofG that are attached to the links b = (x+esub(μ), x) of the lattice and take their values in the linear space G which consists of real linear combinations of matrices in the gauge group G. The polar decomposition PHI(b)=U(b)sigmasub(μ)(x) specifies an ordinary lattice gauge field U(b) and a kind of dielectric field epsilonsub(ij)proportional sigmasub(i)sigmasub(j)sup(*)deltasub(ij). A gauge invariant positive semidefinite kinetic term for the PHI-field is found, and it is shown how to incorporate Wilson fermions in a way which preserves Osterwalder-Schrader positivity. Theories with G = SU(2) and without matter fields are studied in some detail. It is proved that confinement holds, in the sense that Wilson-loop expectation values show an area law decay, if the euclidean action has certain qualitative features which imply that PHI=0 (i.e. dielectric field identical 0) is the unique maximum of the action. (orig.)

  14. Theory of using magnetic deflections to combine charged particle beams

    Energy Technology Data Exchange (ETDEWEB)

    Steckbeck, Mackenzie K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Doyle, Barney Lee [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2014-09-01

    Several radiation effects projects in the Ion Beam Lab (IBL) have recently required two disparate charged particle beams to simultaneously strike a single sample through a single port of the target chamber. Because these beams have vastly different mass–energy products (MEP), the low-MEP beam requires a large angle of deflection toward the sample by a bending electromagnet. A second electromagnet located further upstream provides a means to compensate for the small angle deflection experienced by the high-MEP beam during its path through the bending magnet. This paper derives the equations used to select the magnetic fields required by these two magnets to achieve uniting both beams at the target sample. A simple result was obtained when the separation of the two magnets was equivalent to the distance from the bending magnet to the sample, and the equation is given by: Bs= 1/2(rc/rs) Bc, where Bs and Bc are the magnetic fields in the steering and bending magnet and rc/rs is the ratio of the radii of the bending magnet to that of the steering magnet. This result is not dependent upon the parameters of the high MEP beam, i.e. energy, mass, charge state. Therefore, once the field of the bending magnet is set for the low-MEP beam, and the field in the steering magnet is set as indicted in the equation, the trajectory path of any high-MEP beam will be directed into the sample.

  15. Combining Experimentation and Theory A Hommage to Abe Mamdani

    CERN Document Server

    Bonissone, Piero; Magdalena, Luis; Kacprzyk, Janusz

    2012-01-01

    The unexpected and premature passing away of Professor Ebrahim H. "Abe" Mamdani on January, 22, 2010, was a big shock to the scientific community, to all his friends and colleagues around the world, and to his close relatives. Professor Mamdani was a remarkable figure in the academic world, as he contributed to so many areas of science and technology. Of great relevance are his latest thoughts and ideas on the study of language and its handling by computers. The fuzzy logic community is particularly indebted to Abe Mamdani (1941-2010) who, in 1975, in his famous paper An Experiment in Linguistic Synthesis with a Fuzzy Logic Controller, jointly written with his student Sedrak Assilian, introduced the novel idea of fuzzy control. This was an elegant engineering approach to the modeling and control of complex processes for which mathematical models were unknown or too difficult to build, yet they could effectively and efficiently be controlled by human operators. This ground-breaking idea has found innumerable a...

  16. Unitary field theories

    International Nuclear Information System (INIS)

    Bergmann, P.G.

    1980-01-01

    A problem of construction of the unitary field theory is discussed. The preconditions of the theory are briefly described. The main attention is paid to the geometrical interpretation of physical fields. The meaning of the conceptions of diversity and exfoliation is elucidated. Two unitary field theories are described: the Weyl conformic geometry and Calitzy five-dimensioned theory. It is proposed to consider supersymmetrical theories as a new approach to the problem of a unitary field theory. It is noted that the supergravitational theories are really unitary theories, since the fields figuring there do not assume invariant expansion

  17. Theory of thermal stresses

    CERN Document Server

    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.

  18. Elementary particle theory

    International Nuclear Information System (INIS)

    Marciano, W.J.

    1984-12-01

    The present state of the art in elementary particle theory is reviewed. Topics include quantum electrodynamics, weak interactions, electroweak unification, quantum chromodynamics, and grand unified theories. 113 references

  19. Job Satisfaction: A Possible Integration of Two Theories

    Science.gov (United States)

    Hazer, John T.

    1976-01-01

    A rationale for deciding which motivation methods to use for employees who have differing levels of satisfaction. Discusses pros and cons of two theories on job satisfaction--Herzberg's theory and the traditional theory--suggesting strongly a need to combine both ideas. (WL)

  20. Three Syntactic Theories for Combinatory Graph Reduction

    DEFF Research Database (Denmark)

    Danvy, Olivier; Zerny, Ian

    2011-01-01

    in a third syntactic theory. The structure of the store-based abstract machine corresponding to this third syntactic theory oincides with that of Turner's original reduction machine. The three syntactic theories presented here The three syntactic heories presented here therefore have the following......We present a purely syntactic theory of graph reduction for the canonical combinators S, K, and I, where graph vertices are represented with evaluation contexts and let expressions. We express this syntactic theory as a reduction semantics, which we refocus into the first storeless abstract machine...... for combinatory graph reduction, which we refunctionalize into the first storeless natural semantics for combinatory graph reduction.We then factor out the introduction of let expressions to denote as many graph vertices as possible upfront instead of on demand, resulting in a second syntactic theory, this one...

  1. Topics from the theory of numbers

    CERN Document Server

    Grosswald, Emil

    1984-01-01

    Many of the important and creative developments in modern mathematics resulted from attempts to solve questions that originate in number theory. The publication of Emil Grosswald’s classic text presents an illuminating introduction to number theory. Combining the historical developments with the analytical approach, Topics from the Theory of Numbers offers the reader a diverse range of subjects to investigate, including: * divisibility * congruences * the Riemann zeta function * Diophantine equations and Fermat’s conjecture * the theory of partitions Comprehensive in nature, Topics from the Theory of Numbers is an ideal text for advanced undergraduates and graduate students alike. "In my opinion it is excellent. It is carefully written and represents clearly a work of a scholar who loves and understands his subject. One can only wish more authors would take such pains and would be as good and honest expositors as Grosswald." — Marc Kac "This book is designed for use in a first course in number theory at...

  2. Theory and practice of VHDL

    International Nuclear Information System (INIS)

    Kim, Ju Min; Lee, Beyong Yeob; Lee, Jong Gun; Jong, Duc Jin

    2006-06-01

    This book describes theory and practice of VHDL in easy way. It starts introduction of HDL, the design process with VHDL, the constitution of VHDL code, design structure of CHDL, basics for using of VHDL, language grammar of VHDL, design of combinational circuit, synchronizing circuit and asynchronizing circuit design, finite state machine, using of Quartus, parity, 7-segment decode, 4bit adder, 4 X I multiplexer, I X 4 demulitplexer, duodecimal counter, a second counter, LED sequential switch and a traffic signal controller.

  3. Phase diagram of N = 2 superconformal field theories and bifurcation sets in catastrophe theory

    International Nuclear Information System (INIS)

    Kei Ito.

    1989-08-01

    Phase diagrams of N=2 superconformal field theories are mapped out. It is shown that they coincide with bifurcation sets in catastrophe theory. The results are applied to the determination of renormalization group flows triggered by a combination of two or more relevant operators. (author). 13 refs, 2 figs

  4. Local homotopy theory

    CERN Document Server

    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...

  5. Dynamic statistical information theory

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    In recent years we extended Shannon static statistical information theory to dynamic processes and established a Shannon dynamic statistical information theory, whose core is the evolution law of dynamic entropy and dynamic information. We also proposed a corresponding Boltzmman dynamic statistical information theory. Based on the fact that the state variable evolution equation of respective dynamic systems, i.e. Fokker-Planck equation and Liouville diffusion equation can be regarded as their information symbol evolution equation, we derived the nonlinear evolution equations of Shannon dynamic entropy density and dynamic information density and the nonlinear evolution equations of Boltzmann dynamic entropy density and dynamic information density, that describe respectively the evolution law of dynamic entropy and dynamic information. The evolution equations of these two kinds of dynamic entropies and dynamic informations show in unison that the time rate of change of dynamic entropy densities is caused by their drift, diffusion and production in state variable space inside the systems and coordinate space in the transmission processes; and that the time rate of change of dynamic information densities originates from their drift, diffusion and dissipation in state variable space inside the systems and coordinate space in the transmission processes. Entropy and information have been combined with the state and its law of motion of the systems. Furthermore we presented the formulas of two kinds of entropy production rates and information dissipation rates, the expressions of two kinds of drift information flows and diffusion information flows. We proved that two kinds of information dissipation rates (or the decrease rates of the total information) were equal to their corresponding entropy production rates (or the increase rates of the total entropy) in the same dynamic system. We obtained the formulas of two kinds of dynamic mutual informations and dynamic channel

  6. Rationality, Theory Acceptance and Decision Theory

    Directory of Open Access Journals (Sweden)

    J. Nicolas Kaufmann

    1998-06-01

    Full Text Available Following Kuhn's main thesis according to which theory revision and acceptance is always paradigm relative, I propose to outline some possible consequences of such a view. First, asking the question in what sense Bayesian decision theory could serve as the appropriate (normative theory of rationality examined from the point of view of the epistemology of theory acceptance, I argue that Bayesianism leads to a narrow conception of theory acceptance. Second, regarding the different types of theory revision, i.e. expansion, contraction, replacement and residuals shifts, I extract from Kuhn's view a series of indications showing that theory replacement cannot be rationalized within the framework of Bayesian decision theory, not even within a more sophisticated version of that model. Third, and finally, I will point to the need for a more comprehensive model of rationality than the Bayesian expected utility maximization model, the need for a model which could better deal with the different aspects of theory replacement. I will show that Kuhn's distinction between normal and revolutionary science gives us several hints for a more adequate theory of rationality in science. I will also show that Kuhn is not in a position to fully articulate his main ideas and that he well be confronted with a serious problem concerning collective choice of a paradigm.

  7. Some directions in ecological theory.

    Science.gov (United States)

    Kendall, Bruce E

    2015-12-01

    The role of theory within ecology has changed dramatically in recent decades. Once primarily a source of qualitative conceptual framing, ecological theories and models are now often used to develop quantitative explanations of empirical patterns and to project future dynamics of specific ecological systems. In this essay, I recount my own experience of this transformation, in which accelerating computing power and the widespread incorporation of stochastic processes into ecological theory combined to create some novel integration of mathematical and statistical models. This stronger integration drives theory towards incorporating more biological realism, and I explore ways in which we can grapple with that realism to generate new general theoretical insights. This enhanced realism, in turn, may lead to frameworks for projecting ecological responses to anthropogenic change, which is, arguably, the central challenge for 21st-century ecology. In an era of big data and synthesis, ecologists are increasingly seeking to infer causality from observational data; but conventional biometry provides few tools for this project. This is a realm where theorists can and should play an important role, and I close by pointing towards some analytical and philosophical approaches developed in our sister discipline of economics that address this very problem. While I make no grand prognostications about the likely discoveries of ecological theory over the coming century, you will find in this essay a scattering of more or less far-fetched ideas that I, at least, think are interesting and (possibly) fruitful directions for our field.

  8. From chaos to unification: U theory vs. M theory

    International Nuclear Information System (INIS)

    Ye, Fred Y.

    2009-01-01

    A unified physical theory called U theory, that is different from M theory, is defined and characterized. U theory, which includes spinor and twistor theory, loop quantum gravity, causal dynamical triangulations, E-infinity unification theory, and Clifford-Finslerian unifications, is based on physical tradition and experimental foundations. In contrast, M theory pays more attention to mathematical forms. While M theory is characterized by supersymmetry string theory, U theory is characterized by non-supersymmetry unified field theory.

  9. 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.

  10. Descriptive set theory

    CERN Document Server

    Moschovakis, YN

    1987-01-01

    Now available in paperback, this monograph is a self-contained exposition of the main results and methods of descriptive set theory. It develops all the necessary background material from logic and recursion theory, and treats both classical descriptive set theory and the effective theory developed by logicians.

  11. A theory of everything?

    CERN Multimedia

    '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)

  12. Game theory in philosophy

    NARCIS (Netherlands)

    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

  13. Introduction to game theory

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    The basic ideas of game theory were originated from the problems of maximum and minimum given by J.Yon Neumann in 1928. Later, wars accelerated the study of game theory, there are many developments that contributed to the advancement of game theory, many problems of optimum appeared in economic development process. Scientists applied mathematic methods to studying game theory to make the theory more profound and perfect. The axiomatic structure of game theory was nearly complete in 1944. The path of the development of game theory started from finite to infinite, from two players to many players, from expressing gains with quantity to showing the ending of game theory with abstract result, and from certainty problems to random problems. Thus development of game theory is closely related to the economic development. In recent years, the research on the non-differentiability of Shapley value posed by Belgian Mertens is one of the advanced studies in game theory.

  14. Nonrelativistic superstring theories

    International Nuclear Information System (INIS)

    Kim, Bom Soo

    2007-01-01

    We construct a supersymmetric version of the critical nonrelativistic bosonic string theory [B. S. Kim, Phys. Rev. D 76, 106007 (2007).] with its manifest global symmetry. We introduce the anticommuting bc conformal field theory (CFT) which is the super partner of the βγ CFT. The conformal weights of the b and c fields are both 1/2. The action of the fermionic sector can be transformed into that of the relativistic superstring theory. We explicitly quantize the theory with manifest SO(8) symmetry and find that the spectrum is similar to that of type IIB superstring theory. There is one notable difference: the fermions are nonchiral. We further consider noncritical generalizations of the supersymmetric theory using the superspace formulation. There is an infinite range of possible string theories similar to the supercritical string theories. We comment on the connection between the critical nonrelativistic string theory and the lightlike linear dilaton theory

  15. Nonrelativistic closed string theory

    International Nuclear Information System (INIS)

    Gomis, Jaume; Ooguri, Hirosi

    2001-01-01

    We construct a Galilean invariant nongravitational closed string theory whose excitations satisfy a nonrelativistic dispersion relation. This theory can be obtained by taking a consistent low energy limit of any of the conventional string theories, including the heterotic string. We give a finite first order worldsheet Hamiltonian for this theory and show that this string theory has a sensible perturbative expansion, interesting high energy behavior of scattering amplitudes and a Hagedorn transition of the thermal ensemble. The strong coupling duals of the Galilean superstring theories are considered and are shown to be described by an eleven-dimensional Galilean invariant theory of light membrane fluctuations. A new class of Galilean invariant nongravitational theories of light-brane excitations are obtained. We exhibit dual formulations of the strong coupling limits of these Galilean invariant theories and show that they exhibit many of the conventional dualities of M theory in a nonrelativistic setting

  16. Gauge theory loop operators and Liouville theory

    International Nuclear Information System (INIS)

    Drukker, Nadav; Teschner, Joerg

    2009-10-01

    We propose a correspondence between loop operators in a family of four dimensional N=2 gauge theories on S 4 - including Wilson, 't Hooft and dyonic operators - and Liouville theory loop operators on a Riemann surface. This extends the beautiful relation between the partition function of these N=2 gauge theories and Liouville correlators found by Alday, Gaiotto and Tachikawa. We show that the computation of these Liouville correlators with the insertion of a Liouville loop operator reproduces Pestun's formula capturing the expectation value of a Wilson loop operator in the corresponding gauge theory. We prove that our definition of Liouville loop operators is invariant under modular transformations, which given our correspondence, implies the conjectured action of S-duality on the gauge theory loop operators. Our computations in Liouville theory make an explicit prediction for the exact expectation value of 't Hooft and dyonic loop operators in these N=2 gauge theories. The Liouville loop operators are also found to admit a simple geometric interpretation within quantum Teichmueller theory as the quantum operators representing the length of geodesics. We study the algebra of Liouville loop operators and show that it gives evidence for our proposal as well as providing definite predictions for the operator product expansion of loop operators in gauge theory. (orig.)

  17. Identity theory and personality theory: mutual relevance.

    Science.gov (United States)

    Stryker, Sheldon

    2007-12-01

    Some personality psychologists have found a structural symbolic interactionist frame and identity theory relevant to their work. This frame and theory, developed in sociology, are first reviewed. Emphasized in the review are a multiple identity conception of self, identities as internalized expectations derived from roles embedded in organized networks of social interaction, and a view of social structures as facilitators in bringing people into networks or constraints in keeping them out, subsequently, attention turns to a discussion of the mutual relevance of structural symbolic interactionism/identity theory and personality theory, looking to extensions of the current literature on these topics.

  18. Towards a theory of spacetime theories

    CERN Document Server

    Schiemann, Gregor; Scholz, Erhard

    2017-01-01

    This contributed volume is the result of a July 2010 workshop at the University of Wuppertal Interdisciplinary Centre for Science and Technology Studies which brought together world-wide experts from physics, philosophy and history, in order to address a set of questions first posed in the 1950s: How do we compare spacetime theories? How do we judge, objectively, which is the “best” theory? Is there even a unique answer to this question? The goal of the workshop, and of this book, is to contribute to the development of a meta-theory of spacetime theories. Such a meta-theory would reveal insights about specific spacetime theories by distilling their essential similarities and differences, deliver a framework for a class of theories that could be helpful as a blueprint to build other meta-theories, and provide a higher level viewpoint for judging which theory most accurately describes nature. But rather than drawing a map in broad strokes, the focus is on particularly rich regions in the “space of spaceti...

  19. Gauge theory loop operators and Liouville theory

    Energy Technology Data Exchange (ETDEWEB)

    Drukker, Nadav [Humboldt Univ. Berlin (Germany). Inst. fuer Physik; Gomis, Jaume; Okuda, Takuda [Perimeter Inst. for Theoretical Physics, Waterloo, ON (Canada); Teschner, Joerg [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2009-10-15

    We propose a correspondence between loop operators in a family of four dimensional N=2 gauge theories on S{sup 4} - including Wilson, 't Hooft and dyonic operators - and Liouville theory loop operators on a Riemann surface. This extends the beautiful relation between the partition function of these N=2 gauge theories and Liouville correlators found by Alday, Gaiotto and Tachikawa. We show that the computation of these Liouville correlators with the insertion of a Liouville loop operator reproduces Pestun's formula capturing the expectation value of a Wilson loop operator in the corresponding gauge theory. We prove that our definition of Liouville loop operators is invariant under modular transformations, which given our correspondence, implies the conjectured action of S-duality on the gauge theory loop operators. Our computations in Liouville theory make an explicit prediction for the exact expectation value of 't Hooft and dyonic loop operators in these N=2 gauge theories. The Liouville loop operators are also found to admit a simple geometric interpretation within quantum Teichmueller theory as the quantum operators representing the length of geodesics. We study the algebra of Liouville loop operators and show that it gives evidence for our proposal as well as providing definite predictions for the operator product expansion of loop operators in gauge theory. (orig.)

  20. What genre theory does

    DEFF Research Database (Denmark)

    Andersen, Jack

    2015-01-01

    Purpose To provide a small overview of genre theory and its associated concepts and to show how genre theory has had its antecedents in certain parts of the social sciences and not in the humanities. Findings The chapter argues that the explanatory force of genre theory may be explained with its...... emphasis on everyday genres, de facto genres. Originality/value By providing an overview of genre theory, the chapter demonstrates the wealth and richness of forms of explanations in genre theory....

  1. Why string theory?

    CERN Document Server

    Conlon, Joseph

    2016-01-01

    Is string theory a fraud or one of the great scientific advances? Why do so many physicists work on string theory if it cannot be tested? This book provides insight into why such a theory, with little direct experimental support, plays such a prominent role in theoretical physics. The book gives a modern and accurate account of string theory and science, explaining what string theory is, why it is regarded as so promising, and why it is hard to test.

  2. Teaching Theory X and Theory Y in Organizational Communication

    Science.gov (United States)

    Noland, Carey

    2014-01-01

    The purpose of the activity described here is to integrate McGregor's Theory X and Theory Y into a group application: design a syllabus that embodies either Theory X or Theory Y tenets. Students should be able to differentiate between Theory X and Theory Y, create a syllabus based on Theory X or Theory Y tenets, evaluate the different syllabi…

  3. Direction: unified theory of interactions

    International Nuclear Information System (INIS)

    Valko, P.

    1987-01-01

    Briefly characterized are the individual theories, namely, the general relativity theory, the Kaluza-Klein theory, the Weyl theory, the unified theory of electromagnetic and weak interactions, the supergravity theory, and the superstring theory. The history is recalled of efforts aimed at creating a unified theory of interactions, and future prospects are outlined. (M.D.). 2 figs

  4. Towards a General Theory of Immunity?

    Science.gov (United States)

    Eberl, Gérard; Pradeu, Thomas

    2018-04-01

    Theories are indispensable to organize immunological data into coherent, explanatory, and predictive frameworks. We propose to combine different models to develop a unifying theory of immunity which situates immunology in the wider context of physiology. We believe that the immune system will be increasingly understood as a central component of a network of partner physiological systems that interconnect to maintain homeostasis. Copyright © 2017 Elsevier Ltd. All rights reserved.

  5. Understanding structural engineering from theory to practice

    CERN Document Server

    Chen, Wai-Fah

    2011-01-01

    In our world of seemingly unlimited computing, numerous analytical approaches to the estimation of stress, strain, and displacement, including analytical, numerical, physical, and analog techniques, have greatly advanced the practice of engineering. Combining theory and experimentation, computer simulation has emerged as a third path for engineering design and performance evaluation. As a result, structural engineers working in the practical world of engineering must apply, and ideally, thrive, on these idealizations of science-based theories. Analyzing the major achievements in the field, Und

  6. Measuring uncertainty within the theory of evidence

    CERN Document Server

    Salicone, Simona

    2018-01-01

    This monograph considers the evaluation and expression of measurement uncertainty within the mathematical framework of the Theory of Evidence. With a new perspective on the metrology science, the text paves the way for innovative applications in a wide range of areas. Building on Simona Salicone’s Measurement Uncertainty: An Approach via the Mathematical Theory of Evidence, the material covers further developments of the Random Fuzzy Variable (RFV) approach to uncertainty and provides a more robust mathematical and metrological background to the combination of measurement results that leads to a more effective RFV combination method. While the first part of the book introduces measurement uncertainty, the Theory of Evidence, and fuzzy sets, the following parts bring together these concepts and derive an effective methodology for the evaluation and expression of measurement uncertainty. A supplementary downloadable program allows the readers to interact with the proposed approach by generating and combining ...

  7. Building theory through design

    DEFF Research Database (Denmark)

    Markussen, Thomas

    2017-01-01

    This chapter deals with a fundamental matter of concern in research through design: how can design work lead to the building of new theory? Controversy exists about the balance between theory and design work in research through design. While some researchers see theory production as the scientific...... hallmark of this type of research, others argue for design work being the primary achievement, with theory serving the auxiliary function of inspiring new designs. This paper demonstrates how design work and theory can be appreciated as two equally important outcomes of research through design. To set...... the scene, it starts out by briefly examining ideas on this issue presented in existing research literature. Hereafter, it introduces three basic forms in which design work can lead to theory that is referred to as extending theories, scaffolding theories and blending theories. Finally, it is discussed how...

  8. Generalizability Theory and Classical Test Theory

    Science.gov (United States)

    Brennan, Robert L.

    2011-01-01

    Broadly conceived, reliability involves quantifying the consistencies and inconsistencies in observed scores. Generalizability theory, or G theory, is particularly well suited to addressing such matters in that it enables an investigator to quantify and distinguish the sources of inconsistencies in observed scores that arise, or could arise, over…

  9. Generalizability theory and item response theory

    NARCIS (Netherlands)

    Glas, Cornelis A.W.; Eggen, T.J.H.M.; Veldkamp, B.P.

    2012-01-01

    Item response theory is usually applied to items with a selected-response format, such as multiple choice items, whereas generalizability theory is usually applied to constructed-response tasks assessed by raters. However, in many situations, raters may use rating scales consisting of items with a

  10. String field theory

    International Nuclear Information System (INIS)

    Kaku, M.

    1987-01-01

    In this article, the authors summarize the rapid progress in constructing string field theory actions, such as the development of the covariant BRST theory. They also present the newer geometric formulation of string field theory, from which the BRST theory and the older light cone theory can be derived from first principles. This geometric formulation allows us to derive the complete field theory of strings from two geometric principles, in the same way that general relativity and Yang-Mills theory can be derived from two principles based on global and local symmetry. The geometric formalism therefore reduces string field theory to a problem of finding an invariant under a new local gauge group they call the universal string group (USG). Thus, string field theory is the gauge theory of the universal string group in much the same way that Yang-Mills theory is the gauge theory of SU(N). The geometric formulation places superstring theory on the same rigorous group theoretical level as general relativity and gauge theory

  11. How to Develop a Multi-Grounded Theory: the evolution of a business process theory

    Directory of Open Access Journals (Sweden)

    Mikael Lind

    2006-05-01

    Full Text Available In the information systems field there is a great need for different theories. Theory development can be performed in different ways – deductively and/or inductively. Different approaches with their pros and cons for theory development exists. A combined approach, which builds on inductive as well as deductive thinking, has been put forward – a Multi-Grounded Theory approach. In this paper the evolution of a business process theory is regarded as the development of a multi-grounded theory. This evolution is based on empirical studies, theory-informed conceptual development and the creation of conceptual cohesion. The theoretical development has involved a dialectic approach aiming at a theoretical synthesis based on antagonistic theories. The result of this research process was a multi-grounded business process theory. Multi-grounded means that the theory is empirically, internally and theoretically founded. This business process theory can be used as an aid for business modellers to direct attention towards relevant aspects when business process determination is performed.

  12. Effective quantum field theories

    International Nuclear Information System (INIS)

    Georgi, H.M.

    1993-01-01

    The most appropriate description of particle interactions in the language of quantum field theory depends on the energy at which the interactions are studied; the description is in terms of an ''effective field theory'' that contains explicit reference only to those particles that are actually important at the energy being studied. The various themes of the article are: local quantum field theory, quantum electrodynamics, new physics, dimensional parameters and renormalizability, socio-dynamics of particle theory, spontaneously broken gauge theories, scale dependence, grand unified and effective field theories. 2 figs

  13. The Grounded Theory Bookshelf

    Directory of Open Access Journals (Sweden)

    Vivian B. Martin, Ph.D.

    2005-03-01

    Full Text Available Bookshelf will provide critical reviews and perspectives on books on theory and methodology of interest to grounded theory. This issue includes a review of Heaton’s Reworking Qualitative Data, of special interest for some of its references to grounded theory as a secondary analysis tool; and Goulding’s Grounded Theory: A practical guide for management, business, and market researchers, a book that attempts to explicate the method and presents a grounded theory study that falls a little short of the mark of a fully elaborated theory.Reworking Qualitative Data, Janet Heaton (Sage, 2004. Paperback, 176 pages, $29.95. Hardcover also available.

  14. Quantum potential theory

    CERN Document Server

    Schürmann, Michael

    2008-01-01

    This volume contains the revised and completed notes of lectures given at the school "Quantum Potential Theory: Structure and Applications to Physics," held at the Alfried-Krupp-Wissenschaftskolleg in Greifswald from February 26 to March 10, 2007. Quantum potential theory studies noncommutative (or quantum) analogs of classical potential theory. These lectures provide an introduction to this theory, concentrating on probabilistic potential theory and it quantum analogs, i.e. quantum Markov processes and semigroups, quantum random walks, Dirichlet forms on C* and von Neumann algebras, and boundary theory. Applications to quantum physics, in particular the filtering problem in quantum optics, are also presented.

  15. Historicizing affordance theory

    DEFF Research Database (Denmark)

    Pedersen, Sofie; Bang, Jytte Susanne

    2017-01-01

    The aim of this article is to discuss how mutually enriching points from both affordance theory and cultural-historical activity theory can promote theoretical ideas which may prove useful as analytical tools for the study of human life and human development. There are two issues that need...... to be overcome in order to explore the potentials of James Gibson’s affordance theory: it does not sufficiently theorize (a) development and (b) society. We claim that Gibson’s affordance theory still needs to be brought beyond “the axiom of immediacy.” Ambivalences in Gibson’s affordance theory...... societal character of affordance theory....

  16. On multiscale moving contact line theory.

    Science.gov (United States)

    Li, Shaofan; Fan, Houfu

    2015-07-08

    In this paper, a multiscale moving contact line (MMCL) theory is presented and employed to simulate liquid droplet spreading and capillary motion. The proposed MMCL theory combines a coarse-grained adhesive contact model with a fluid interface membrane theory, so that it can couple molecular scale adhesive interaction and surface tension with hydrodynamics of microscale flow. By doing so, the intermolecular force, the van der Waals or double layer force, separates and levitates the liquid droplet from the supporting solid substrate, which avoids the shear stress singularity caused by the no-slip condition in conventional hydrodynamics theory of moving contact line. Thus, the MMCL allows the difference of the surface energies and surface stresses to drive droplet spreading naturally. To validate the proposed MMCL theory, we have employed it to simulate droplet spreading over various elastic substrates. The numerical simulation results obtained by using MMCL are in good agreement with the molecular dynamics results reported in the literature.

  17. The emergence of spacetime in string theory

    CERN Document Server

    Vistarini, Tiziana

    2018-01-01

    The nature of space and time is one of the most fascinating and fundamental philosophical issues which presently engages at the deepest level with physics. During the last thirty years this notion has been object of an intense critical review in the light of new scientific theories which try to combine the principles of both general relativity and quantum theory—called theories of quantum gravity. This book considers the way string theory shapes its own account of spacetime disappearance from the fundamental level.

  18. Algebraic Geometry and Number Theory Summer School

    CERN Document Server

    Sarıoğlu, Celal; Soulé, Christophe; Zeytin, Ayberk

    2017-01-01

    This lecture notes volume presents significant contributions from the “Algebraic Geometry and Number Theory” Summer School, held at Galatasaray University, Istanbul, June 2-13, 2014. It addresses subjects ranging from Arakelov geometry and Iwasawa theory to classical projective geometry, birational geometry and equivariant cohomology. Its main aim is to introduce these contemporary research topics to graduate students who plan to specialize in the area of algebraic geometry and/or number theory. All contributions combine main concepts and techniques with motivating examples and illustrative problems for the covered subjects. Naturally, the book will also be of interest to researchers working in algebraic geometry, number theory and related fields.

  19. Quantum field theory in gravitational background

    International Nuclear Information System (INIS)

    Narnhofer, H.

    1986-01-01

    The author suggests ignoring the influence of the quantum field on the gravitation as the first step to combine quantum field theory and gravitation theory, but to consider the gravitational field as fixed and thus study quantum field theory on a manifold. This subject evoked interest when thermal radiation of a black hole was predicted. The author concentrates on the free quantum field and can split the problem into two steps: the Weyl-algebra of the free field and the Wightman functional on the tangent space

  20. Rigour and grounded theory.

    Science.gov (United States)

    Cooney, Adeline

    2011-01-01

    This paper explores ways to enhance and demonstrate rigour in a grounded theory study. Grounded theory is sometimes criticised for a lack of rigour. Beck (1993) identified credibility, auditability and fittingness as the main standards of rigour for qualitative research methods. These criteria were evaluated for applicability to a Straussian grounded theory study and expanded or refocused where necessary. The author uses a Straussian grounded theory study (Cooney, In press) to examine how the revised criteria can be applied when conducting a grounded theory study. Strauss and Corbin (1998b) criteria for judging the adequacy of a grounded theory were examined in the context of the wider literature examining rigour in qualitative research studies in general and grounded theory studies in particular. A literature search for 'rigour' and 'grounded theory' was carried out to support this analysis. Criteria are suggested for enhancing and demonstrating the rigour of a Straussian grounded theory study. These include: cross-checking emerging concepts against participants' meanings, asking experts if the theory 'fit' their experiences, and recording detailed memos outlining all analytical and sampling decisions. IMPLICATIONS FOR RESEARCH PRACTICE: The criteria identified have been expressed as questions to enable novice researchers to audit the extent to which they are demonstrating rigour when writing up their studies. However, it should not be forgotten that rigour is built into the grounded theory method through the inductive-deductive cycle of theory generation. Care in applying the grounded theory methodology correctly is the single most important factor in ensuring rigour.

  1. Theories of Career Development. A Comparison of the Theories.

    Science.gov (United States)

    Osipow, Samuel H.

    These seven theories of career development are examined in previous chapters: (1) Roe's personality theory, (2) Holland's career typology theory, (3) the Ginzberg, Ginsburg, Axelrod, and Herma Theory, (4) psychoanalytic conceptions, (5) Super's developmental self-concept theory, (6) other personality theories, and (7) social systems theories.…

  2. Supersymmetric gauge theories from string theory

    International Nuclear Information System (INIS)

    Metzger, St.

    2005-12-01

    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 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 2 -manifold is known. Here we construct families of metrics on compact weak G 2 -manifolds, which contain two conical singularities. Weak G 2 -manifolds have properties that are similar to the ones of proper G 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 8 x E 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 classical action. (author)

  3. Combining evolutionary game theory and network theory to analyze human cooperation patterns

    International Nuclear Information System (INIS)

    Scatà, Marialisa; Di Stefano, Alessandro; La Corte, Aurelio; Liò, Pietro; Catania, Emanuele; Guardo, Ermanno; Pagano, Salvatore

    2016-01-01

    Highlights: • We investigate the evolutionary dynamics of human cooperation in a social network. • We introduce the concepts of “Critical Mass”, centrality measure and homophily. • The emergence of cooperation is affected by the spatial choice of the “Critical Mass”. • Our findings show that homophily speeds up the convergence towards cooperation. • Centrality and “Critical Mass” spatial choice partially offset the impact of homophily. - Abstract: As natural systems continuously evolve, the human cooperation dilemma represents an increasingly more challenging question. Humans cooperate in natural and social systems, but how it happens and what are the mechanisms which rule the emergence of cooperation, represent an open and fascinating issue. In this work, we investigate the evolution of cooperation through the analysis of the evolutionary dynamics of behaviours within the social network, where nodes can choose to cooperate or defect following the classical social dilemmas represented by Prisoner’s Dilemma and Snowdrift games. To this aim, we introduce a sociological concept and statistical estimator, “Critical Mass”, to detect the minimum initial seed of cooperators able to trigger the diffusion process, and the centrality measure to select within the social network. Selecting different spatial configurations of the Critical Mass nodes, we highlight how the emergence of cooperation can be influenced by this spatial choice of the initial core in the network. Moreover, we target to shed light how the concept of homophily, a social shaping factor for which “birds of a feather flock together”, can affect the evolutionary process. Our findings show that homophily allows speeding up the diffusion process and make quicker the convergence towards human cooperation, while centrality measure and thus the Critical Mass selection, play a key role in the evolution showing how the spatial configurations can create some hidden patterns, partially counterbalancing the impact of homophily.

  4. Higher spin gauge theories

    CERN Document Server

    Henneaux, Marc; Vasiliev, Mikhail A

    2017-01-01

    Symmetries play a fundamental role in physics. Non-Abelian gauge symmetries are the symmetries behind theories for massless spin-1 particles, while the reparametrization symmetry is behind Einstein's gravity theory for massless spin-2 particles. In supersymmetric theories these particles can be connected also to massless fermionic particles. Does Nature stop at spin-2 or can there also be massless higher spin theories. In the past strong indications have been given that such theories do not exist. However, in recent times ways to evade those constraints have been found and higher spin gauge theories have been constructed. With the advent of the AdS/CFT duality correspondence even stronger indications have been given that higher spin gauge theories play an important role in fundamental physics. All these issues were discussed at an international workshop in Singapore in November 2015 where the leading scientists in the field participated. This volume presents an up-to-date, detailed overview of the theories i...

  5. Covariant Noncommutative Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Estrada-Jimenez, S [Licenciaturas en Fisica y en Matematicas, Facultad de Ingenieria, Universidad Autonoma de Chiapas Calle 4a Ote. Nte. 1428, Tuxtla Gutierrez, Chiapas (Mexico); Garcia-Compean, H [Departamento de Fisica, Centro de Investigacion y de Estudios Avanzados del IPN P.O. Box 14-740, 07000 Mexico D.F., Mexico and Centro de Investigacion y de Estudios Avanzados del IPN, Unidad Monterrey Via del Conocimiento 201, Parque de Investigacion e Innovacion Tecnologica (PIIT) Autopista nueva al Aeropuerto km 9.5, Lote 1, Manzana 29, cp. 66600 Apodaca Nuevo Leon (Mexico); Obregon, O [Instituto de Fisica de la Universidad de Guanajuato P.O. Box E-143, 37150 Leon Gto. (Mexico); Ramirez, C [Facultad de Ciencias Fisico Matematicas, Universidad Autonoma de Puebla, P.O. Box 1364, 72000 Puebla (Mexico)

    2008-07-02

    The covariant approach to noncommutative field and gauge theories is revisited. In the process the formalism is applied to field theories invariant under diffeomorphisms. Local differentiable forms are defined in this context. The lagrangian and hamiltonian formalism is consistently introduced.

  6. Theory of calorimetry

    CERN Document Server

    Zielenkiewicz, Wojciech

    2004-01-01

    The purpose of this book is to give a comprehensive description of the theoretical fundamentals of calorimetry. The considerations are based on the relations deduced from the laws and general equations of heat exchange theory and steering theory.

  7. Covariant Noncommutative Field Theory

    International Nuclear Information System (INIS)

    Estrada-Jimenez, S.; Garcia-Compean, H.; Obregon, O.; Ramirez, C.

    2008-01-01

    The covariant approach to noncommutative field and gauge theories is revisited. In the process the formalism is applied to field theories invariant under diffeomorphisms. Local differentiable forms are defined in this context. The lagrangian and hamiltonian formalism is consistently introduced

  8. Stabilizing bottomless action theories

    International Nuclear Information System (INIS)

    Greensite, J.; Halpern, M.B.

    1983-12-01

    The authors show how to construct the Euclidean quantum theory corresponding to classical actions which are unbounded from below. The method preserves the classical limit, the large-N limit, and the perturbative expansion of the unstabilized theories. (Auth.)

  9. Algebraic conformal field theory

    International Nuclear Information System (INIS)

    Fuchs, J.; Nationaal Inst. voor Kernfysica en Hoge-Energiefysica

    1991-11-01

    Many conformal field theory features are special versions of structures which are present in arbitrary 2-dimensional quantum field theories. So it makes sense to describe 2-dimensional conformal field theories in context of algebraic theory of superselection sectors. While most of the results of the algebraic theory are rather abstract, conformal field theories offer the possibility to work out many formulae explicitly. In particular, one can construct the full algebra A-bar of global observables and the endomorphisms of A-bar which represent the superselection sectors. Some explicit results are presented for the level 1 so(N) WZW theories; the algebra A-bar is found to be the enveloping algebra of a Lie algebra L-bar which is an extension of the chiral symmetry algebra of the WZW theory. (author). 21 refs., 6 figs

  10. The theory of remainders

    CERN Document Server

    Rothbart, Andrea

    2012-01-01

    An imaginative introduction to number theory and abstract algebra, this unique approach employs a pair of fictional characters whose dialogues explain theories and demonstrate applications in terms of football scoring, chess moves, and more.

  11. Economic theories of dictatorship

    OpenAIRE

    Alexandre Debs

    2010-01-01

    This article reviews recent advances in economic theories of dictatorships and their lessons for the political stability and economic performance of dictatorships. It reflects on the general usefulness of economic theories of dictatorship, with an application to foreign relations.

  12. Plasma kinetic theory

    International Nuclear Information System (INIS)

    Elliott, J.A.

    1993-01-01

    Plasma kinetic theory is discussed and a comparison made with the kinetic theory of gases. The plasma is described by a modified set of fluid equations and it is shown how these fluid equations can be derived. (UK)

  13. Inflationary string theory?

    Indian Academy of Sciences (India)

    strongly motivate a detailed search for inflation within string theory, although it has ... between string theory and observations provides a strong incentive for ..... sonably be expected to arise for any system having very many degrees of freedom.

  14. Field theory and strings

    International Nuclear Information System (INIS)

    Bonara, L.; Cotta-Ramusino, P.; Rinaldi, M.

    1987-01-01

    It is well-known that type I and heterotic superstring theories have a zero mass spectrum which correspond to the field content of N=1 supergravity theory coupled to supersymmetric Yang-Mills theory in 10-D. The authors study the field theory ''per se'', in the hope that simple consistency requirements will determine the theory completely once one knows the field content inherited from string theory. The simplest consistency requirements are: N=1 supersymmetry; and absence of chiral anomalies. This is what the authors discuss in this paper here leaving undetermined the question of the range of validity of the resulting field theory. As is known, a model of N=1 supergravity (SUGRA) coupled to supersymmetric Yang-Mills (SYM) theory was known in the form given by Chapline and Manton. The coupling of SUGRA to SYM was determined by the definition of the ''field strength'' 3-form H in this paper

  15. Introduction to percolation theory

    CERN Document Server

    Stauffer, Dietrich

    1991-01-01

    Percolation theory deals with clustering, criticallity, diffusion, fractals, phase transitions and disordered systems. This book covers the basic theory for the graduate, and also professionals dealing with it for the first time

  16. Making HCI Theory Work

    DEFF Research Database (Denmark)

    Clemmensen, Torkil; Kaptelinin, Victor; Nardi, Bonnie

    2016-01-01

    different ways of using activity theory: (1) analysing unique features, principles, and problematic aspects of the theory; (2) identifying domain-specific requirements for new theoretical tools; (3) developing new conceptual accounts of issues in the field of HCI; (4) guiding and supporting empirical...... analyses of HCI phenomena; and (5) providing new design illustrations, claims, and guidelines. We conclude that HCI researchers are not only users of imported theory, but also theory-makers who adapt and develop theory for different purposes.......This paper reports a study of the use of activity theory in human–computer interaction (HCI) research. We analyse activity theory in HCI since its first appearance about 25 years ago. Through an analysis and meta-synthesis of 109 selected HCI activity theory papers, we created a taxonomy of 5...

  17. Combining semantics with non-standard interpreter hierarchies

    DEFF Research Database (Denmark)

    Abramov, Sergei M.; Glück, Robert

    2000-01-01

    This paper reports on results concerning the combination of non-standard semantics via interpreters. We define what a semantics combination means and identify under which conditions a combination can be realized by computer programs (robustness, safely combinable). We develop the underlying mathe...... mathematical theory and examine the meaning of several non-standard interpreter towers. Our results suggest a technique for the implementation of a certain class of programming language dialects by composing a hierarchy of non-standard interpreters....

  18. Nonlocal gauge theories

    International Nuclear Information System (INIS)

    Partovi, M.H.

    1982-01-01

    From a generalization of the covariant derivative, nonlocal gauge theories are developed. These theories enjoy local gauge invariance and associated Ward identities, a corresponding locally conserved current, and a locally conserved energy-momentum tensor, with the Ward identities implying the masslessness of the gauge field as in local theories. Their ultraviolet behavior allows the presence as well as the absence of the Adler-Bell-Jackiw anomaly, the latter in analogy with lattice theories

  19. Noncommutative field theory

    International Nuclear Information System (INIS)

    Douglas, Michael R.; Nekrasov, Nikita A.

    2001-01-01

    This article reviews the generalization of field theory to space-time with noncommuting coordinates, starting with the basics and covering most of the active directions of research. Such theories are now known to emerge from limits of M theory and string theory and to describe quantum Hall states. In the last few years they have been studied intensively, and many qualitatively new phenomena have been discovered, on both the classical and the quantum level

  20. Problems in particle theory

    International Nuclear Information System (INIS)

    Adler, S.L.; Wilczek, F.

    1993-11-01

    Areas of emphasis include acceleration algorithms for the Monte Carlo analysis of lattice field and gauge theories, quaternionic generalizations of complex quantum mechanics and field theory, application of the renormalization group to the QCD phase transition, the quantum Hall effect, and black holes. Other work involved string theory, statistical properties of energy levels in integrable quantum systems, baryon asymmetry and the electroweak phase transition, anisotropies of the cosmic microwave background, and theory of superconductors

  1. Multiscale System Theory

    Science.gov (United States)

    1990-02-21

    LIDS-P-1953 Multiscale System Theory Albert Benveniste IRISA-INRIA, Campus de Beaulieu 35042 RENNES CEDEX, FRANCE Ramine Nikoukhah INRIA...TITLE AND SUBTITLE Multiscale System Theory 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e...the development of a corresponding system theory and a theory of stochastic processes and their estimation. The research presented in this and several

  2. Philosophical theories of probability

    CERN Document Server

    Gillies, Donald

    2000-01-01

    The Twentieth Century has seen a dramatic rise in the use of probability and statistics in almost all fields of research. This has stimulated many new philosophical ideas on probability. Philosophical Theories of Probability is the first book to present a clear, comprehensive and systematic account of these various theories and to explain how they relate to one another. Gillies also offers a distinctive version of the propensity theory of probability, and the intersubjective interpretation, which develops the subjective theory.

  3. Constructal theory of social dynamics

    CERN Document Server

    Bejan, Adrian

    2007-01-01

    Combines for the first time theories of general physics and applies them to social sciencesOffers a new way to look at social phenomena as part of natural phenomenaA new domain of application of engineering such as thermodynamic optimization, thermoeconomics and "design as science"Discusses how the "flow architectures" of natural sciences are also found in social situationsBoth classes are covered by the same principle (the constructal law)First work to show that the concept of "efficiency" of engineering has a home in physics and social sciencesThe constructal law theory puts a scientific principle behind the major challenges of today and the future: sustainable development, energy sufficiency, equilibria between human settlements and environmental ecosystems, optimal allocation, optimal distribution of finite resources, etc.

  4. Modern Theories of Language.

    Science.gov (United States)

    Davis, Philip W.

    This volume explores objectively the essential characteristic of nine twentieth-century linguistic theories with the theoretical variant for discussion based on one closely representative of work within a given approach or usually associated with the name of the theory. First, the theory of Ferdinand de Saussure is discussed based on his book,…

  5. Constructivist Grounded Theory?

    Directory of Open Access Journals (Sweden)

    Barney G. Glaser, PhD, Hon. PhD

    2012-06-01

    Full Text Available AbstractI refer to and use as scholarly inspiration Charmaz’s excellent article on constructivist grounded theory as a tool of getting to the fundamental issues on why grounded theory is not constructivist. I show that constructivist data, if it exists at all, is a very, very small part of the data that grounded theory uses.

  6. Essays in auction theory

    NARCIS (Netherlands)

    Maasland, E.

    2012-01-01

    Auction theory is a branch of game theory that considers human behavior in auction markets and the ensuing market outcomes. It is also successfully used as a tool to design real-life auctions. This thesis contains five essays addressing a variety of topics within the realm of auction theory. The

  7. Unified field theory

    International Nuclear Information System (INIS)

    Prasad, R.

    1975-01-01

    Results of researches into Unified Field Theory over the past seven years are presented. The subject is dealt with in chapters entitled: the choice of affine connection, algebraic properties of the vector fields, field laws obtained from the affine connection based on the path integral method, application to quantum theory and cosmology, interpretation of physical theory in terms of geometry. (U.K.)

  8. Frankl's Theory and Therapy.

    Science.gov (United States)

    Missinne, Leo E.; Wilcox, Victoria

    This paper discusses the life, theories, and therapeutic techniques of psychotherapist, Viktor E. Frankl. A brief biography of Frankl is included discussing the relationship of his early experiences as a physician to his theory of personality. Frankl's theory focusing on man's need for meaning and emphasizing the spiritual dimension in each human…

  9. Cognitive Theories of Autism

    Science.gov (United States)

    Rajendran, Gnanathusharan; Mitchell, Peter

    2007-01-01

    This article considers three theories of autism: The Theory of Mind Deficit, Executive Dysfunction and the Weak Central Coherence accounts. It outlines each along with studies relevant to their emergence, their expansion, their limitations and their possible integration. Furthermore, consideration is given to any implication from the theories in…

  10. Lattice gauge theory

    International Nuclear Information System (INIS)

    Mack, G.

    1982-01-01

    After a description of a pure Yang-Mills theory on a lattice, the author considers a three-dimensional pure U(1) lattice gauge theory. Thereafter he discusses the exact relation between lattice gauge theories with the gauge groups SU(2) and SO(3). Finally he presents Monte Carlo data on phase transitions in SU(2) and SO(3) lattice gauge models. (HSI)

  11. Papers in auction theory

    NARCIS (Netherlands)

    Onderstal, A.M.

    2002-01-01

    This thesis is a collection of six papers in auction theory, with several economic applications, both to real life auctions and to other economic phenomena. In the introduction to the thesis, Onderstal argues why auction theory is an important branch of economic theory, and discusses several

  12. Introduction to number theory

    CERN Document Server

    Vazzana, Anthony; Garth, David

    2007-01-01

    One of the oldest branches of mathematics, number theory is a vast field devoted to studying the properties of whole numbers. Offering a flexible format for a one- or two-semester course, Introduction to Number Theory uses worked examples, numerous exercises, and two popular software packages to describe a diverse array of number theory topics.

  13. Reflections on Activity Theory

    Science.gov (United States)

    Bakhurst, David

    2009-01-01

    It is sometimes suggested that activity theory represents the most important legacy of Soviet philosophy and psychology. But what exactly "is" activity theory? The canonical account in the West is given by Engestrom, who identifies three stages in the theory's development: from Vygotsky's insights, through Leontiev's articulation of the…

  14. Superspace conformal field theory

    Energy Technology Data Exchange (ETDEWEB)

    Quella, Thomas [Koeln Univ. (Germany). Inst. fuer Theoretische Physik; Schomerus, Volker [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

    2013-07-15

    Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.

  15. Superspace conformal field theory

    International Nuclear Information System (INIS)

    Quella, Thomas

    2013-07-01

    Conformal sigma models and WZW models on coset superspaces provide important examples of logarithmic conformal field theories. They possess many applications to problems in string and condensed matter theory. We review recent results and developments, including the general construction of WZW models on type I supergroups, the classification of conformal sigma models and their embedding into string theory.

  16. Gauge theory and gravitation

    International Nuclear Information System (INIS)

    Kikkawa, Keiji; Nakanishi, Noboru; Nariai, Hidekazu

    1983-01-01

    These proceedings contain the articles presented at the named symposium. They deal with geometrical aspects of gauge theory and gravitation, special problems in gauge theories, quantum field theory in curved space-time, quantum gravity, supersymmetry including supergravity, and grand unification. See hints under the relevant topics. (HSI)

  17. Constructor theory of probability

    Science.gov (United States)

    2016-01-01

    Unitary quantum theory, having no Born Rule, is non-probabilistic. Hence the notorious problem of reconciling it with the unpredictability and appearance of stochasticity in quantum measurements. Generalizing and improving upon the so-called ‘decision-theoretic approach’, I shall recast that problem in the recently proposed constructor theory of information—where quantum theory is represented as one of a class of superinformation theories, which are local, non-probabilistic theories conforming to certain constructor-theoretic conditions. I prove that the unpredictability of measurement outcomes (to which constructor theory gives an exact meaning) necessarily arises in superinformation theories. Then I explain how the appearance of stochasticity in (finitely many) repeated measurements can arise under superinformation theories. And I establish sufficient conditions for a superinformation theory to inform decisions (made under it) as if it were probabilistic, via a Deutsch–Wallace-type argument—thus defining a class of decision-supporting superinformation theories. This broadens the domain of applicability of that argument to cover constructor-theory compliant theories. In addition, in this version some of the argument's assumptions, previously construed as merely decision-theoretic, follow from physical properties expressed by constructor-theoretic principles. PMID:27616914

  18. Endogenous Prospect Theory

    OpenAIRE

    Schmidt, Ulrich; Zank, Horst

    2010-01-01

    In previous models of (cumulative) prospect theory reference-dependence of preferences is imposed beforehand and the location of the reference point is exogenously determined. This paper provides an axiomatization of a new specification of cumulative prospect theory, termed endogenous prospect theory, where reference-dependence is derived from preference conditions and a unique reference point arises endogenously.

  19. Sharpening Intertemporal Prospect Theory

    OpenAIRE

    Pushpa, Rathie; Carlos, Radavelli; Sergio, Da Silva

    2006-01-01

    Prospect theory [4] of risky choices has been extended to encompass intertemporal choices [6]. Presentation of intertemporal prospect theory suffers from minor mistakes, however [2]. To clarify the theory we restate it and show further mistakes in current presentations ([6], [2]) of value and discount functions.

  20. Structural characterization of CO-inhibited Mo-nitrogenase by combined application of nuclear resonance vibrational spectroscopy, extended X-ray absorption fine structure, and density functional theory: new insights into the effects of CO binding and the role of the interstitial atom.

    Science.gov (United States)

    Scott, Aubrey D; Pelmenschikov, Vladimir; Guo, Yisong; Yan, Lifen; Wang, Hongxin; George, Simon J; Dapper, Christie H; Newton, William E; Yoda, Yoshitaka; Tanaka, Yoshihito; Cramer, Stephen P

    2014-11-12

    The properties of CO-inhibited Azotobacter vinelandii (Av) Mo-nitrogenase (N2ase) have been examined by the combined application of nuclear resonance vibrational spectroscopy (NRVS), extended X-ray absorption fine structure (EXAFS), and density functional theory (DFT). Dramatic changes in the NRVS are seen under high-CO conditions, especially in a 188 cm(-1) mode associated with symmetric breathing of the central cage of the FeMo-cofactor. Similar changes are reproduced with the α-H195Q N2ase variant. In the frequency region above 450 cm(-1), additional features are seen that are assigned to Fe-CO bending and stretching modes (confirmed by (13)CO isotope shifts). The EXAFS for wild-type N2ase shows evidence for a significant cluster distortion under high-CO conditions, most dramatically in the splitting of the interaction between Mo and the shell of Fe atoms originally at 5.08 Å in the resting enzyme. A DFT model with both a terminal -CO and a partially reduced -CHO ligand bound to adjacent Fe sites is consistent with both earlier FT-IR experiments, and the present EXAFS and NRVS observations for the wild-type enzyme. Another DFT model with two terminal CO ligands on the adjacent Fe atoms yields Fe-CO bands consistent with the α-H195Q variant NRVS. The calculations also shed light on the vibrational "shake" modes of the interstitial atom inside the central cage, and their interaction with the Fe-CO modes. Implications for the CO and N2 reactivity of N2ase are discussed.

  1. Birth control pills - combination

    Science.gov (United States)

    ... page: //medlineplus.gov/ency/patientinstructions/000655.htm Birth control pills - combination To use the sharing features on ... both progestin and estrogen. What Are Combination Birth Control Pills? Birth control pills help keep you from ...

  2. Open and Closed String field theory interpreted in classical Algebraic Topology

    OpenAIRE

    Sullivan, Dennis

    2003-01-01

    There is an interpretation of open string field theory in algebraic topology. An interpretation of closed string field theory can be deduced from this open string theory to obtain as well the interpretation of open and closed string field theory combined.

  3. Gauge theories as theories of spontaneous breakdown

    International Nuclear Information System (INIS)

    Ivanov, E.A.; Ogievetsky, V.I.

    1976-01-01

    Any gauge theory is proved to arise from spontaneous breakdown of symmetry under certain infinite parameter group, the corresponding gauge field being the Goldstone field by which this breakdown is accompanied

  4. Theory and context / Theory in context

    DEFF Research Database (Denmark)

    Glaveanu, Vlad Petre

    2014-01-01

    trans-disciplinary manner. Consideration needs to be given as well to connected scholarship focusing on imagination, innova-tion, and improvisation. Last but not least, an expanded the-ory of context cannot ignore the institutional context of doing research on creativity. Creativity scholars are facing......It is debatable whether the psychology of creativity is a field in crisis or not. There are clear signs of increased fragmenta-tion and a scarcity of integrative efforts, but is this necessari-ly bad? Do we need more comprehensive theories of creativ-ity and a return to old epistemological...... questions? This de-pends on how one understands theory. Against a view of theoretical work as aiming towards generality, universality, uniformity, completeness, and singularity, I advocate for a dynamic perspective in which theory is plural, multifaceted, and contextual. Far from ‘waiting for the Messiah...

  5. Invariant Theory (IT) & Standard Monomial Theory (SMT)

    Indian Academy of Sciences (India)

    2013-07-06

    Jul 6, 2013 ... Why invariant theory? (continued). Now imagine algebraic calculations being made, with the two different sets of co-ordinates, about something of geometrical or physical interest concerning the configuration of points, ...

  6. Nuclear structure theory

    CERN Document Server

    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

  7. Measure and integration theory

    CERN Document Server

    Burckel, Robert B

    2001-01-01

    This book gives a straightforward introduction to the field as it is nowadays required in many branches of analysis and especially in probability theory. The first three chapters (Measure Theory, Integration Theory, Product Measures) basically follow the clear and approved exposition given in the author's earlier book on ""Probability Theory and Measure Theory"". Special emphasis is laid on a complete discussion of the transformation of measures and integration with respect to the product measure, convergence theorems, parameter depending integrals, as well as the Radon-Nikodym theorem. The fi

  8. Variational Transition State Theory

    Energy Technology Data Exchange (ETDEWEB)

    Truhlar, Donald G. [Univ. of Minnesota, Minneapolis, MN (United States)

    2016-09-29

    This is the final report on a project involving the development and applications of variational transition state theory. This project involved the development of variational transition state theory for gas-phase reactions, including optimized multidimensional tunneling contributions and the application of this theory to gas-phase reactions with a special emphasis on developing reaction rate theory in directions that are important for applications to combustion. The development of variational transition state theory with optimized multidimensional tunneling as a useful computational tool for combustion kinetics involved eight objectives.

  9. Extremal graph theory

    CERN Document Server

    Bollobas, Bela

    2004-01-01

    The ever-expanding field of extremal graph theory encompasses a diverse array of problem-solving methods, including applications to economics, computer science, and optimization theory. This volume, based on a series of lectures delivered to graduate students at the University of Cambridge, presents a concise yet comprehensive treatment of extremal graph theory.Unlike most graph theory treatises, this text features complete proofs for almost all of its results. Further insights into theory are provided by the numerous exercises of varying degrees of difficulty that accompany each chapter. A

  10. Introduction to spectral theory

    CERN Document Server

    Levitan, B M

    1975-01-01

    This monograph is devoted to the spectral theory of the Sturm- Liouville operator and to the spectral theory of the Dirac system. In addition, some results are given for nth order ordinary differential operators. Those parts of this book which concern nth order operators can serve as simply an introduction to this domain, which at the present time has already had time to become very broad. For the convenience of the reader who is not familar with abstract spectral theory, the authors have inserted a chapter (Chapter 13) in which they discuss this theory, concisely and in the main without proofs, and indicate various connections with the spectral theory of differential operators.

  11. Game theory an introduction

    CERN Document Server

    Barron, E N

    2013-01-01

    An exciting new edition of the popular introduction to game theory and its applications The thoroughly expanded Second Edition presents a unique, hands-on approach to game theory. While most books on the subject are too abstract or too basic for mathematicians, Game Theory: An Introduction, Second Edition offers a blend of theory and applications, allowing readers to use theory and software to create and analyze real-world decision-making models. With a rigorous, yet accessible, treatment of mathematics, the book focuses on results that can be used to

  12. Model theory and modules

    CERN Document Server

    Prest, M

    1988-01-01

    In recent years the interplay between model theory and other branches of mathematics has led to many deep and intriguing results. In this, the first book on the topic, the theme is the interplay between model theory and the theory of modules. The book is intended to be a self-contained introduction to the subject and introduces the requisite model theory and module theory as it is needed. Dr Prest develops the basic ideas concerning what can be said about modules using the information which may be expressed in a first-order language. Later chapters discuss stability-theoretic aspects of module

  13. Finite quantum field theories

    International Nuclear Information System (INIS)

    Lucha, W.; Neufeld, H.

    1986-01-01

    We investigate the relation between finiteness of a four-dimensional quantum field theory and global supersymmetry. To this end we consider the most general quantum field theory and analyse the finiteness conditions resulting from the requirement of the absence of divergent contributions to the renormalizations of the parameters of the theory. In addition to the gauge bosons, both fermions and scalar bosons turn out to be a necessary ingredient in a non-trivial finite gauge theory. In all cases discussed, the supersymmetric theory restricted by two well-known constraints on the dimensionless couplings proves to be the unique solution of the finiteness conditions. (Author)

  14. New foundation of quantum theory

    International Nuclear Information System (INIS)

    Schmutzer, E.

    1976-01-01

    A new foundation of quantum theory is given on the basis of the formulated 'Principle of Fundamental Covariance', combining the 'Principle of General Relativity' (coordinate-covariance in space-time) and the 'Principle of Operator-Covariance' (in Hilbert space). The fundamental quantum laws proposed are: (1) time-dependent simultaneous laws of motion for the operators, general states and eigenstates, (2) commutation relations, (3) time-dependent eigenvalue equations. All these laws fulfill the Principle of Fundamental Covariance (in non-relativistic quantum mechanics with restricted coordinate transformations). (author)

  15. Lorentz covariant theory of gravitation

    International Nuclear Information System (INIS)

    Fagundes, H.V.

    1974-12-01

    An alternative method for the calculation of second order effects, like the secular shift of Mercury's perihelium is developed. This method uses the basic ideas of thirring combined with the more mathematical approach of Feyman. In the case of a static source, the treatment used is greatly simplified. Besides, Einstein-Infeld-Hoffmann's Lagrangian for a system of two particles and spin-orbit and spin-spin interactions of two particles with classical spin, ie, internal angular momentum in Moller's sense, are obtained from the Lorentz covariant theory

  16. Advancing Theory on Knowledge Governance

    DEFF Research Database (Denmark)

    Safavi, Mehdi; Håkanson, Lars

    In an exploratory case study of a university merger, this study inductively examines how governance structures in universities impact the creation and exploitation of knowledge, both in core academic activities (research and teaching) and in related and supporting administrative tasks. Similarities......-apprentice type of personal relationships, but make them inferior to firms in the pursuit of innovative, inter-disciplinary combinations of knowledge. The reasons behind these similarities and differences are explained, possible extensions of the knowledge-based theory of the firm are proposed and some tentative...

  17. Geophysical Field Theory

    International Nuclear Information System (INIS)

    Eloranta, E.

    2003-11-01

    The geophysical field theory includes the basic principles of electromagnetism, continuum mechanics, and potential theory upon which the computational modelling of geophysical phenomena is based on. Vector analysis is the main mathematical tool in the field analyses. Electrostatics, stationary electric current, magnetostatics, and electrodynamics form a central part of electromagnetism in geophysical field theory. Potential theory concerns especially gravity, but also electrostatics and magnetostatics. Solid state mechanics and fluid mechanics are central parts in continuum mechanics. Also the theories of elastic waves and rock mechanics belong to geophysical solid state mechanics. The theories of geohydrology and mass transport form one central field theory in geophysical fluid mechanics. Also heat transfer is included in continuum mechanics. (orig.)

  18. Theory of superconductivity

    International Nuclear Information System (INIS)

    Crisan, M.

    1988-01-01

    This book discusses the most important aspects of the theory. The phenomenological model is followed by the microscopic theory of superconductivity, in which modern formalism of the many-body theory is used to treat most important problems such as superconducting alloys, coexistence of superconductivity with the magnetic order, and superconductivity in quasi-one-dimensional systems. It concludes with a discussion on models for exotic and high temperature superconductivity. Its main aim is to review, as complete as possible, the theory of superconductivity from classical models and methods up to the 1987 results on high temperature superconductivity. Contents: Phenomenological Theory of Superconductivity; Microscopic Theory of Superconductivity; Theory of Superconducting Alloys; Superconductors in a Magnetic Field; Superconductivity and Magnetic Order; Superconductivity in Quasi-One-Dimensional Systems; and Non-Conventional Superconductivity

  19. Gravitation and source theory

    International Nuclear Information System (INIS)

    Yilmaz, H.

    1975-01-01

    Schwinger's source theory is applied to the problem of gravitation and its quantization. It is shown that within the framework of a flat-space the source theory implementation leads to a violation of probability. To avoid the difficulty one must introduce a curved space-time hence the source concept may be said to necessitate the transition to a curved-space theory of gravitation. It is further shown that the curved-space theory of gravitation implied by the source theory is not equivalent to the conventional Einstein theory. The source concept leads to a different theory where the gravitational field has a stress-energy tensor t/sup nu//sub mu/ which contributes to geometric curvatures

  20. Introduction to representation theory

    CERN Document Server

    Etingof, Pavel; Hensel, Sebastian; Liu, Tiankai; Schwendner, Alex

    2011-01-01

    Very roughly speaking, representation theory studies symmetry in linear spaces. It is a beautiful mathematical subject which has many applications, ranging from number theory and combinatorics to geometry, probability theory, quantum mechanics, and quantum field theory. The goal of this book is to give a "holistic" introduction to representation theory, presenting it as a unified subject which studies representations of associative algebras and treating the representation theories of groups, Lie algebras, and quivers as special cases. Using this approach, the book covers a number of standard topics in the representation theories of these structures. Theoretical material in the book is supplemented by many problems and exercises which touch upon a lot of additional topics; the more difficult exercises are provided with hints. The book is designed as a textbook for advanced undergraduate and beginning graduate students. It should be accessible to students with a strong background in linear algebra and a basic k...

  1. [Introduction to grounded theory].

    Science.gov (United States)

    Wang, Shou-Yu; Windsor, Carol; Yates, Patsy

    2012-02-01

    Grounded theory, first developed by Glaser and Strauss in the 1960s, was introduced into nursing education as a distinct research methodology in the 1970s. The theory is grounded in a critique of the dominant contemporary approach to social inquiry, which imposed "enduring" theoretical propositions onto study data. Rather than starting from a set theoretical framework, grounded theory relies on researchers distinguishing meaningful constructs from generated data and then identifying an appropriate theory. Grounded theory is thus particularly useful in investigating complex issues and behaviours not previously addressed and concepts and relationships in particular populations or places that are still undeveloped or weakly connected. Grounded theory data analysis processes include open, axial and selective coding levels. The purpose of this article was to explore the grounded theory research process and provide an initial understanding of this methodology.

  2. Applied number theory

    CERN Document Server

    Niederreiter, Harald

    2015-01-01

    This textbook effectively builds a bridge from basic number theory to recent advances in applied number theory. It presents the first unified account of the four major areas of application where number theory plays a fundamental role, namely cryptography, coding theory, quasi-Monte Carlo methods, and pseudorandom number generation, allowing the authors to delineate the manifold links and interrelations between these areas.  Number theory, which Carl-Friedrich Gauss famously dubbed the queen of mathematics, has always been considered a very beautiful field of mathematics, producing lovely results and elegant proofs. While only very few real-life applications were known in the past, today number theory can be found in everyday life: in supermarket bar code scanners, in our cars’ GPS systems, in online banking, etc.  Starting with a brief introductory course on number theory in Chapter 1, which makes the book more accessible for undergraduates, the authors describe the four main application areas in Chapters...

  3. Computational invariant theory

    CERN Document Server

    Derksen, Harm

    2015-01-01

    This book is about the computational aspects of invariant theory. Of central interest is the question how the invariant ring of a given group action can be calculated. Algorithms for this purpose form the main pillars around which the book is built. There are two introductory chapters, one on Gröbner basis methods and one on the basic concepts of invariant theory, which prepare the ground for the algorithms. Then algorithms for computing invariants of finite and reductive groups are discussed. Particular emphasis lies on interrelations between structural properties of invariant rings and computational methods. Finally, the book contains a chapter on applications of invariant theory, covering fields as disparate as graph theory, coding theory, dynamical systems, and computer vision. The book is intended for postgraduate students as well as researchers in geometry, computer algebra, and, of course, invariant theory. The text is enriched with numerous explicit examples which illustrate the theory and should be ...

  4. Politics, Security, Theory

    DEFF Research Database (Denmark)

    Wæver, Ole

    2011-01-01

    theory is found to ‘act politically’ through three structural features that systematically shape the political effects of using the theory. The article further discusses – on the basis of the preceding articles in the special issue – three emerging debates around securitization theory: ethics......This article outlines three ways of analysing the ‘politics of securitization’, emphasizing an often-overlooked form of politics practised through theory design. The structure and nature of a theory can have systematic political implications. Analysis of this ‘politics of securitization......’ is distinct from both the study of political practices of securitization and explorations of competing concepts of politics among security theories. It means tracking what kinds of analysis the theory can produce and whether such analysis systematically impacts real-life political struggles. Securitization...

  5. Priorities and prospect theory.

    Science.gov (United States)

    Happich, M; Mazurek, B

    2002-01-01

    Whose preferences are to be used for cost-effectiveness analysis? It has been recommended that community preferences for health states are the most appropriate ones for use in a reference case analysis. However, critics maintain that persons are not able properly to judge a health state if they have not experienced the condition themselves. This problem is analyzed here in the framework of Prospect Theory. It can be argued that the differing reference points of patients and the general public are responsible for deviating results. In addition, we argue that risk attitudes with respect to health-related quality of life are an indicator of reference points. If patients and the general public refer to the same reference point, i.e., they have the same risk attitude, the hypothesis is that deviations no longer significantly differ. Evaluations of the health condition of tinnitus by 210 patients and 210 unaffected persons were compared. The Time Tradeoff and Standard Gamble methods were applied to elicit preferences. Risk attitude was measured with the question of whether participants would undergo a treatment that could either improve or worsen their health condition, both with an equal chance (five possible answers between "in no case" and "in any case"). Affected persons indicated significantly higher values for tinnitus-related quality of life according to the Standard Gamble method. The difference between Time Tradeoff values was less dramatic but still significant. In addition, nonaffected persons are more risk-averse than affected persons. However, differences in evaluations are not significant considering single risk groups (e.g., those who answered "in no case"). Prospect Theory is a reasonable framework for considering the question of whose preferences count. If this result can be generalized for other diseases as well, it allows the mathematical combination of "objective" evaluations by the general public with the illness experience of patients. These

  6. A new method for the design of slot antenna arrays: Theory and experiment

    KAUST Repository

    Clauzier, Sebastien; Mikki, Said M.; Shamim, Atif; Antar, Yahia M. M.

    2016-01-01

    technique combines basic radiation theory and waveguide propagation theory in a novel analytical model that allows the prediction of the radiation characteristics of generic slots without the need to perform full-wave numerical solution. The analytical model

  7. How rats combine temporal cues.

    Science.gov (United States)

    Guilhardi, Paulo; Keen, Richard; MacInnis, Mika L M; Church, Russell M

    2005-05-31

    The procedures for classical and operant conditioning, and for many timing procedures, involve the delivery of reinforcers that may be related to the time of previous reinforcers and responses, and to the time of onsets and terminations of stimuli. The behavior resulting from such procedures can be described as bouts of responding that occur in some pattern at some rate. A packet theory of timing and conditioning is described that accounts for such behavior under a wide range of procedures. Applications include the food searching by rats in Skinner boxes under conditions of fixed and random reinforcement, brief and sustained stimuli, and several response-food contingencies. The approach is used to describe how multiple cues from reinforcers and stimuli combine to determine the rate and pattern of response bouts.

  8. Factorized combinations of Virasoro characters

    International Nuclear Information System (INIS)

    Bytsko, A.G.; Fring, A.

    2000-01-01

    We investigate linear combinations of characters for minimal Virasoro models which are representable as a product of several basic blocks. Our analysis is based on consideration of asymptotic behaviour of the characters in the quasi-classical limit. In particular, we introduce a notion of the secondary effective central charge. We find all possible cases for which factorization occurs on the base of the Gauss-Jacobi or the Watson identities. Exploiting these results, we establish various types of identities between different characters. In particular, we present several identities generalizing the Rogers-Ramanujan identities. Applications to quasi-particle representations, modular invariant partition functions, super-conformal theories and conformal models with boundaries are briefly discussed. (orig.)

  9. Teaching Civic Journalism: Integrating Theory and Practice.

    Science.gov (United States)

    McDevitt, Michael

    2000-01-01

    Describes a journalism course that used an integrative approach to teaching about the principles, practice, and effects of civic journalism, combining theory, news writing, and evaluation. Describes the class project on the controversial issue of panhandling. Discusses goals of civic journalism and of the project, journalistic methods used,…

  10. Leadership: Theory and Practice. Sixth Edition

    Science.gov (United States)

    Northouse, Peter G.

    2012-01-01

    Adopted at more than 1,000 colleges and universities worldwide, the market-leading text owes its success to the unique way in which it combines an academically robust account of the major theories and models of leadership with an accessible style and practical exercises that help students apply what they learn. Each chapter of Peter…

  11. General Systems Theory and Counterplan Competition.

    Science.gov (United States)

    Madsen, Arnie

    1989-01-01

    Discusses the trend in academic debate on policy questions toward a wide acceptance of counterplans, encouraging combinations of proposals which appear at face value able to coexist but upon deeper analysis are incompatible. Argues in opposition to this trend by applying concepts from general systems theory to competition. (KEH)

  12. Inelastic transport theory for nanoscale systems

    DEFF Research Database (Denmark)

    Frederiksen, Thomas

    2007-01-01

    This thesis describes theoretical and numerical investigations of inelastic scat- tering and energy dissipation in electron transport through nanoscale sys- tems. A computational scheme, based on a combination of density functional theory (DFT) and nonequilibrium Green’s functions (NEGF), has been...

  13. Theory of Rare-Earth Alloys

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker

    1977-01-01

    A mean-field random alloy theory combined with a simple calculation of the exchange interaction J(c,Q) is shown to quantitatively account for the phase diagrams for alloys of rare-earth metals with Y, Lu, Sc, and other rare-earth metals. A concentration-dependent J(c,Q) explains the empirical 2...

  14. Numerical techniques for lattice gauge theories

    International Nuclear Information System (INIS)

    Creutz, M.

    1981-01-01

    The motivation for formulating gauge theories on a lattice is reviewed. Monte Carlo simulation techniques are then discussed for these systems. Finally, the Monte Carlo methods are combined with renormalization group analysis to give strong numerical evidence for confinement of quarks by non-Abelian gauge fields

  15. A multiconfigurational hybrid density-functional theory

    DEFF Research Database (Denmark)

    Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jørgen Aagaard

    2012-01-01

    We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the electron-electron interaction. This gives a straightforward extension ...

  16. Towards a Theory of Organisational Culture.

    Science.gov (United States)

    Owens, Robert G.; Steinhoff, Carl R.

    1989-01-01

    The development of the paper-and-pencil instrument called the Organizational Culture Assessment Inventory (OCAI) is based on the theory of organizational culture. Recent literature and organizational analysis are combined with Schein's model of organizational culture to provide the background for metaphorical analysis of organizational culture…

  17. Workplace Innovation: Theory, Research and Practice

    NARCIS (Netherlands)

    Oeij, P.R.A.; Rus, D.; Pot, F.D.

    2017-01-01

    This book focuses on workplace innovation, which is a key element in ensuring that organizations and the people within them can adapt to and engage in healthy, sustainable change. It features a collection of multi-level, multi-disciplinary contributions that combine theory, research and practical

  18. Towards a theory of tiered testing.

    Science.gov (United States)

    Hansson, Sven Ove; Rudén, Christina

    2007-06-01

    Tiered testing is an essential part of any resource-efficient strategy for the toxicity testing of a large number of chemicals, which is required for instance in the risk management of general (industrial) chemicals, In spite of this, no general theory seems to be available for the combination of single tests into efficient tiered testing systems. A first outline of such a theory is developed. It is argued that chemical, toxicological, and decision-theoretical knowledge should be combined in the construction of such a theory. A decision-theoretical approach for the optimization of test systems is introduced. It is based on expected utility maximization with simplified assumptions covering factual and value-related information that is usually missing in the development of test systems.

  19. Microcanonical quantum field theory

    International Nuclear Information System (INIS)

    Strominger, A.

    1983-01-01

    Euclidean quantum field theory is equivalent to the equilibrium statistical mechanics of classical fields in 4+1 dimensions at temperature h. It is well known in statistical mechanics that the theory of systems at fixed temperature is embedded within the more general and fundamental theory of systems at fixed energy. We therefore develop, in precise analogy, a fixed action (macrocanonical) formulation of quantum field theory. For the case of ordinary renormalizable field theories, we show (with one exception) that the microcanonical is entirely equivalent to the canonical formulation. That is, for some particular fixed value of the total action, the Green's functions of the microcanonical theory are equal, in the bulk limit, to those of the canonical theory. The microcanonical perturbation expansion is developed in some detail for lambdaphi 4 . The particular value of the action for which the two formulations are equivalent can be calculated to all orders in perturbation theory. We prove, using Lehmann's Theorem, that this value is one-half Planck unit per degree of freedom, if fermionic degrees of freedom are counted negatively. This is the 4+1 dimensional analog of the equipartition theorem. The one exception to this is supersymmetric theories. A microcanonical formulation exists if and only if supersymmetry is broken. In statistical mechanics and in field theory there are systems for which the canonical description is pathological, but the microcanonical is not. An example of such a field theory is found in one dimension. A semiclassical expansion of the microcanonical theory is well defined, while an expansion of the canonical theory is hoplessly divergent

  20. A Bayesian Framework for False Belief Reasoning in Children: A Rational Integration of Theory-Theory and Simulation Theory.

    Science.gov (United States)

    Asakura, Nobuhiko; Inui, Toshio

    2016-01-01

    Two apparently contrasting theories have been proposed to account for the development of children's theory of mind (ToM): theory-theory and simulation theory. We present a Bayesian framework that rationally integrates both theories for false belief reasoning. This framework exploits two internal models for predicting the belief states of others: one of self and one of others. These internal models are responsible for simulation-based and theory-based reasoning, respectively. The framework further takes into account empirical studies of a developmental ToM scale (e.g., Wellman and Liu, 2004): developmental progressions of various mental state understandings leading up to false belief understanding. By representing the internal models and their interactions as a causal Bayesian network, we formalize the model of children's false belief reasoning as probabilistic computations on the Bayesian network. This model probabilistically weighs and combines the two internal models and predicts children's false belief ability as a multiplicative effect of their early-developed abilities to understand the mental concepts of diverse beliefs and knowledge access. Specifically, the model predicts that children's proportion of correct responses on a false belief task can be closely approximated as the product of their proportions correct on the diverse belief and knowledge access tasks. To validate this prediction, we illustrate that our model provides good fits to a variety of ToM scale data for preschool children. We discuss the implications and extensions of our model for a deeper understanding of developmental progressions of children's ToM abilities.

  1. Three Syntactic Theories for Combinatory Graph Reduction

    DEFF Research Database (Denmark)

    Danvy, Olivier; Zerny, Ian

    2013-01-01

    , as a store-based reduction semantics of combinatory term graphs. We then refocus this store-based reduction semantics into a store-based abstract machine. The architecture of this store-based abstract machine coincides with that of Turner's original reduction machine. The three syntactic theories presented......We present a purely syntactic theory of graph reduction for the canonical combinators S, K, and I, where graph vertices are represented with evaluation contexts and let expressions. We express this rst syntactic theory as a storeless reduction semantics of combinatory terms. We then factor out...... the introduction of let expressions to denote as many graph vertices as possible upfront instead of on demand . The factored terms can be interpreted as term graphs in the sense of Barendregt et al. We express this second syntactic theory, which we prove equivalent to the rst, as a storeless reduction semantics...

  2. Saint Venant's equation and theory of characteristics

    International Nuclear Information System (INIS)

    Daubert, Andre

    1978-01-01

    This theory, in its general scope, will be dealt with through the concrete example of Saint Venant's equations which govern the waves in channels. 1. Finding the characteristic directions. The aim is to interpret the hyperbolic sort of equations to show that there is a way of combining them in order to shape them so that they express a linear relation between the variations of the unknowns when moving along particular differential paths. In certain cases, this differential relation can integrate to lead to Rieman's invariants. 2. Relation between the theory of characteristics and the wave equation. In the linear systems case, it is worthwhile showing simply, how the method of characteristics is linked to the conventional treatment of the wave equation. 3. Relation between the theory of characteristics and the Cauchy problem. The theory of characteristics is frequently introduced as from the Cauchy problem, the characteristics forming the conditions of indetermination of the Cauchy problem [fr

  3. Quantum field theory and the standard model

    CERN Document Server

    Schwartz, Matthew D

    2014-01-01

    Providing a comprehensive introduction to quantum field theory, this textbook covers the development of particle physics from its foundations to the discovery of the Higgs boson. Its combination of clear physical explanations, with direct connections to experimental data, and mathematical rigor make the subject accessible to students with a wide variety of backgrounds and interests. Assuming only an undergraduate-level understanding of quantum mechanics, the book steadily develops the Standard Model and state-of-the-art calculation techniques. It includes multiple derivations of many important results, with modern methods such as effective field theory and the renormalization group playing a prominent role. Numerous worked examples and end-of-chapter problems enable students to reproduce classic results and to master quantum field theory as it is used today. Based on a course taught by the author over many years, this book is ideal for an introductory to advanced quantum field theory sequence or for independe...

  4. Introduction to Grand Unified Theories. 12

    International Nuclear Information System (INIS)

    Wali, K.C.

    1989-01-01

    This chapter presents an introduction into Grand Unified Theories. After a discussion of the general features to be expected in any such theory, and of the motivations for them, a detailed presentation of SU(5) theory is given. The group structures, particle multiplets, gauge and Higgs bosons are explained. The two stages of spontaneous symmetry breaking via the Higgs model, are calculated individually and in combination. Fermion mass matrices and relations between quark and lepton masses are derived. predictions of SU(5) theory, calculated using renormalization group methods, are derived. The chapter ends with discussions that bring together particle physics and cosmology, including the baryon asymmetry problem, phase transitions in the very early universe, and singularities like domain walls, vortex lines and monopoles. (author). 9 refs.; 4 figs.; 5 tabs

  5. Understanding nursing units with data and theory.

    Science.gov (United States)

    Diers, Donna; Hendrickson, Karrie; Rimar, Joan; Donovan, Donna

    2013-01-01

    Nursing units are social systems whose function depends on many variables. Available nursing data, combined with a theory of organizational diagnosis, can be used to understand nursing unit performance. One troubled unit served as a case study in organizational diagnosis and treatment using modern methods of data mining and performance improvement. Systems theory did not prescribe how to fix an underbounded system. The theory did suggest, however, that addressing the characteristics of overbounded and underbounded systems can provide some order and structure and identify helpful resources. In this instance, the data analysis served to help define the unit's problems in conjunction with information gained from talking with the nurses and touring the unit, but it was the theory that gave hints for direction for change.

  6. Classical field theory

    CERN Document Server

    Franklin, Joel

    2017-01-01

    Classical field theory, which concerns the generation and interaction of fields, is a logical precursor to quantum field theory, and can be used to describe phenomena such as gravity and electromagnetism. Written for advanced undergraduates, and appropriate for graduate level classes, this book provides a comprehensive introduction to field theories, with a focus on their relativistic structural elements. Such structural notions enable a deeper understanding of Maxwell's equations, which lie at the heart of electromagnetism, and can also be applied to modern variants such as Chern–Simons and Born–Infeld. The structure of field theories and their physical predictions are illustrated with compelling examples, making this book perfect as a text in a dedicated field theory course, for self-study, or as a reference for those interested in classical field theory, advanced electromagnetism, or general relativity. Demonstrating a modern approach to model building, this text is also ideal for students of theoretic...

  7. Algebraic quantum field theory

    International Nuclear Information System (INIS)

    Foroutan, A.

    1996-12-01

    The basic assumption that the complete information relevant for a relativistic, local quantum theory is contained in the net structure of the local observables of this theory results first of all in a concise formulation of the algebraic structure of the superselection theory and an intrinsic formulation of charge composition, charge conjugation and the statistics of an algebraic quantum field theory. In a next step, the locality of massive particles together with their spectral properties are wed for the formulation of a selection criterion which opens the access to the massive, non-abelian quantum gauge theories. The role of the electric charge as a superselection rule results in the introduction of charge classes which in term lead to a set of quantum states with optimum localization properties. Finally, the asymptotic observables of quantum electrodynamics are investigated within the framework of algebraic quantum field theory. (author)

  8. Children's theories of motivation.

    Science.gov (United States)

    Gurland, Suzanne T; Glowacky, Victoria C

    2011-09-01

    To investigate children's theories of motivation, we asked 166 children (8-12 years of age) to rate the effect of various motivational strategies on task interest, over the short and long terms, in activities described as appealing or unappealing. Children viewed the rewards strategy as resulting in greatest interest except when implemented over the long term for appealing activities. Individual difference analyses revealed that some children held operant theories of motivation, in which rewards were central, and others held hybrid theories, in which rewards were key, but some allowance was made for interest to be self-sustaining in the absence of inducements. Children's theories predicted their academic self-regulation. Their theories are discussed relative to an expert theory of motivation. Copyright © 2011 Elsevier Inc. All rights reserved.

  9. Baudrillard's Theory of Value

    DEFF Research Database (Denmark)

    Zander, Pär Ola

    2014-01-01

    theory. The paper concludes that Baudrillard's arguments for abandoning Marxism altogether are problematic and led him away from developing a more finished theory of value. This is unfortunate because it remains a project that may yield interesting insights even in contemporary social theory, not least......Jean Baudrillard outlined a theory of value in his early writings that built on, but also criticized, Marxist concepts of use value and exchange value. In this paper, I use a close reading to delineate the diachronic transition of Baudrillard's writings toward anti-Marxism and (allegedly......) postmodernism, with specific focus on his value theory, in order to understand his own reasons for abandoning his previous position. I then follow the marginal stream of scholars who are making use of the early Baudrillard. I find his value theory promising but still a mere sketch rather than an actual general...

  10. Game theory, alive

    CERN Document Server

    Karlin, Anna R

    2016-01-01

    This book presents a rigorous introduction to the mathematics of game theory without losing sight of the joy of the subject. This is done by focusing on theoretical highlights (e.g., at least six Nobel Prize winning results are developed from scratch) and by presenting exciting connections of game theory to other fields, such as computer science, economics, social choice, biology, and learning theory. Both classical topics, such as zero-sum games, and modern topics, such as sponsored search auctions, are covered. Along the way, beautiful mathematical tools used in game theory are introduced, including convexity, fixed-point theorems, and probabilistic arguments. The book is appropriate for a first course in game theory at either the undergraduate or graduate level, whether in mathematics, economics, computer science, or statistics. Game theory's influence is felt in a wide range of disciplines, and the authors deliver masterfully on the challenge of presenting both the breadth and coherence of its underlying ...

  11. Stationary scattering theory

    International Nuclear Information System (INIS)

    Combes, J.M.

    1980-10-01

    A complementary approach to the time dependent scattering theory for one-body Schroedinger operators is presented. The stationary theory is concerned with objects of quantum theory like scattering waves and amplitudes. In the more recent abstract stationary theory some generalized form of the Lippman-Schwinger equation plays the basic role. Solving this equation leads to a linear map between generalized eigenfunctions of the perturbed and unperturbed operators. This map is the section at fixed energy of the wave-operator from the time dependent theory. Although the radiation condition does not appears explicitely in this formulation it can be shown to hold a posteriori in a variety of situations thus restoring the link with physical theories

  12. Quantum theory without reduction

    International Nuclear Information System (INIS)

    Cini, Marcello; Levy-Leblond, J.-M.

    1990-01-01

    Quantum theory offers a strange, and perhaps unique, case in the history of science. Although research into its roots has provided important results in recent years, the debate goes on. Some theorists argue that quantum theory is weakened by the inclusion of the so called 'reduction of the state vector' in its foundations. Quantum Theory without Reduction presents arguments in favour of quantum theory as a consistent and complete theory without this reduction, and which is capable of explaining all known features of the measurement problem. This collection of invited contributions defines and explores different aspects of this issue, bringing an old debate into a new perspective, and leading to a more satisfying consensus about quantum theory. (author)

  13. Theory, For Instance

    DEFF Research Database (Denmark)

    Balle, Søren Hattesen

    This paper takes its starting point in a short poem by Wallace Stevens from 1917, which incidentally bears the title “Theory”. The poem can be read as a parable of theory, i.e., as something literally ’thrown beside’ theory (cf. OED: “...“). In the philosophical tradition this is also how the style of theory has been figured, that is to say: as something that is incidental to it or just happens to be around as so much paraphernalia. In my reading of Stevens’ poem I shall argue that this is exactly the position from which Stevens takes off when he assumes...... the task of writing a personified portrait of theory. Theory emerges as always beside(s) itself in what constitutes its style, but the poem also suggests that theory’s style is what gives theory both its power and its contingency. Figured as a duchess Theoria is only capable of retaining her power...

  14. Supersymmetric gauge field theories

    International Nuclear Information System (INIS)

    Slavnov, A.A.

    1976-01-01

    The paper is dealing with the role of supersymmetric gauge theories in the quantum field theory. Methods of manipulating the theories as well as possibilities of their application in elementary particle physics are presented. In particular, the necessity is explained of a theory in which there is symmetry between Fermi and Bose fields, in other words, of the supersymmetric gauge theory for construction of a scheme for the Higgs particle connecting parameters of scalar mesons with those of the rest fields. The mechanism of supersymmetry breaking is discussed which makes it possible to remain the symmetric procedure of renormalization intact. The above mechanism of spontaneous symmetry breaking is applied to demonstrate possibilities of constructing models of weak and electromagnetic interactions which would be acceptable from the point of view of experiments. It is noted that the supersymmetric gauge theories represent a natural technique for description of vector-like models

  15. What is CPH Theory?

    DEFF Research Database (Denmark)

    Javadi, Hossein; Forouzbakhsh, Farshid; Daei Kasmaei, Hamed

    2016-01-01

    There are various theories in physics, but nature is unique. This is not nature's problem that we have various theories; nature obeys simple and unique law. We should improve our theories. Universal constancy of the speed of light undergoes the question whether the limit on the light speed...... is the mechanism of increasing in the photon energy that causes increase in its frequency growth? So, in CPH theory (Creative particles of Higgs Theory), it has been attempted to scrutinize the interface between classical mechanics, relativity and quantum mechanics through a novel approach to the established...... physical events. Emphasizing on these phenomena and presenting the relation between photon's energy and frequency, CPH Theory is to draw attention on the importance of constancy of speed in relation to the mass structure which will be scrutinized in reviewing relativistic Newton's second law. The results...

  16. Lattice gauge theories

    International Nuclear Information System (INIS)

    Creutz, M.

    1983-04-01

    In the last few years lattice gauge theory has become the primary tool for the study of nonperturbative phenomena in gauge theories. The lattice serves as an ultraviolet cutoff, rendering the theory well defined and amenable to numerical and analytical work. Of course, as with any cutoff, at the end of a calculation one must consider the limit of vanishing lattice spacing in order to draw conclusions on the physical continuum limit theory. The lattice has the advantage over other regulators that it is not tied to the Feynman expansion. This opens the possibility of other approximation schemes than conventional perturbation theory. Thus Wilson used a high temperature expansion to demonstrate confinement in the strong coupling limit. Monte Carlo simulations have dominated the research in lattice gauge theory for the last four years, giving first principle calculations of nonperturbative parameters characterizing the continuum limit. Some of the recent results with lattice calculations are reviewed

  17. An adaptive orienting theory of error processing.

    Science.gov (United States)

    Wessel, Jan R

    2018-03-01

    The ability to detect and correct action errors is paramount to safe and efficient goal-directed behaviors. Existing work on the neural underpinnings of error processing and post-error behavioral adaptations has led to the development of several mechanistic theories of error processing. These theories can be roughly grouped into adaptive and maladaptive theories. While adaptive theories propose that errors trigger a cascade of processes that will result in improved behavior after error commission, maladaptive theories hold that error commission momentarily impairs behavior. Neither group of theories can account for all available data, as different empirical studies find both impaired and improved post-error behavior. This article attempts a synthesis between the predictions made by prominent adaptive and maladaptive theories. Specifically, it is proposed that errors invoke a nonspecific cascade of processing that will rapidly interrupt and inhibit ongoing behavior and cognition, as well as orient attention toward the source of the error. It is proposed that this cascade follows all unexpected action outcomes, not just errors. In the case of errors, this cascade is followed by error-specific, controlled processing, which is specifically aimed at (re)tuning the existing task set. This theory combines existing predictions from maladaptive orienting and bottleneck theories with specific neural mechanisms from the wider field of cognitive control, including from error-specific theories of adaptive post-error processing. The article aims to describe the proposed framework and its implications for post-error slowing and post-error accuracy, propose mechanistic neural circuitry for post-error processing, and derive specific hypotheses for future empirical investigations. © 2017 Society for Psychophysiological Research.

  18. Buckling analysis for anisotropic laminated plates under combined inplane loads

    Science.gov (United States)

    Viswanathan, A. V.; Tamekuni, M.; Baker, L. L.

    1974-01-01

    The buckling analysis presented considers rectangular flat or curved general laminates subjected to combined inplane normal and shear loads. Linear theory is used in the analysis. All prebuckling deformations and any initial imperfections are ignored. The analysis method can be readily extended to longitudinally stiffened structures subjected to combined inplane normal and shear loads.

  19. Rhetorical ways of thinking Vygotskian theory and mathematical learning

    CERN Document Server

    Albert, Lillie R; Macadino, Vittoria

    2012-01-01

    Combining Vygotskian theory with current teaching and learning practices, this volume focuses on how the co-construction of learning models the interpretation of a mathematical situation, providing educationalists with a valuable practical methodology.

  20. On the degree of ionization in the TFW theory

    International Nuclear Information System (INIS)

    Baumgartner, B.

    1983-01-01

    We give a simplified proof of the theorem which says that in Thomas-Fermi-von Weizsaecker theory the surplus charge of bounded electrons cannot exceed the combined charge of the nuclei in absolute value. (Author)

  1. Ordering theories: Typologies and conceptual frameworks for sociotechnical change

    Science.gov (United States)

    Sovacool, Benjamin K; Hess, David J

    2017-01-01

    What theories or concepts are most useful at explaining socio technical change? How can – or cannot – these be integrated? To provide an answer, this study presents the results from 35 semi-structured research interviews with social science experts who also shared more than two hundred articles, reports and books on the topic of the acceptance, adoption, use, or diffusion of technology. This material led to the identification of 96 theories and conceptual approaches spanning 22 identified disciplines. The article begins by explaining its research terms and methods before honing in on a combination of fourteen theories deemed most relevant and useful by the material. These are: Sociotechnical Transitions, Social Practice Theory, Discourse Theory, Domestication Theory, Large Technical Systems, Social Construction of Technology, Sociotechnical Imaginaries, Actor-Network Theory, Social Justice Theory, Sociology of Expectations, Sustainable Development, Values Beliefs Norms Theory, Lifestyle Theory, and the Unified Theory of Acceptance and Use of Technology. It then positions these theories in terms of two distinct typologies. Theories can be placed into five general categories of being centered on agency, structure, meaning, relations or norms. They can also be classified based on their assumptions and goals rooted in functionalism, interpretivism, humanism or conflict. The article lays out tips for research methodology before concluding with insights about technology itself, analytical processes associated with technology, and the framing and communication of results. An interdisciplinary theoretical and conceptual inventory has much to offer students, analysts and scholars wanting to study technological change and society. PMID:28641502

  2. Effective quantum field theories

    International Nuclear Information System (INIS)

    Georgi, H.M.

    1989-01-01

    Certain dimensional parameters play a crucial role in the understanding of weak and strong interactions based on SU(2) x U(1) and SU(3) symmetry group theories and of grand unified theories (GUT's) based on SU(5). These parameters are the confinement scale of quantum chromodynamics and the breaking scales of SU(2) x U(1) and SU(5). The concepts of effective quantum field theories and renormalisability are discussed with reference to the economics and ethics of research. (U.K.)

  3. Quantum theory. 3. ed.

    International Nuclear Information System (INIS)

    Kiefer, C.

    2004-01-01

    The following topics are dealt with: Particles and waves, the superposition principle and probability interpretation, the uncertainty relation, spin, the Schroedinger equation, wave functions, symmetries, the hydrogen atom, atoms with many electrons, Schroedinger's cat and the Einstein-podolsky-Rosen problem, the Bell inequalities, the classical limit, quantum systems in the electromagnetic field, solids and quantum liquids, quantum information, quantum field theory, quantum theory and gravitation, the mathematical formalism of quantum theory. (HSI)

  4. Introductory graph theory

    CERN Document Server

    Chartrand, Gary

    1984-01-01

    Graph theory is used today in the physical sciences, social sciences, computer science, and other areas. Introductory Graph Theory presents a nontechnical introduction to this exciting field in a clear, lively, and informative style. Author Gary Chartrand covers the important elementary topics of graph theory and its applications. In addition, he presents a large variety of proofs designed to strengthen mathematical techniques and offers challenging opportunities to have fun with mathematics. Ten major topics - profusely illustrated - include: Mathematical Models, Elementary Concepts of Grap

  5. Introduction to superstring theory

    International Nuclear Information System (INIS)

    Nunez, Carmen

    2009-01-01

    This is a very basic introduction to the AdS/CFT correspondence. The first lecture motivates the duality between gauge theories and gravity/string theories. The next two lectures introduce the bosonic and supersymmetric string theories. The fourth lecture is devoted to study Dp-branes and finally, in the fifth lecture I discuss the two worlds: N=4 SYM in 3+1 flat dimensions and type IIB superstrings in AdS 5 x S5. (author)

  6. Operational Shock Complexity Theory

    Science.gov (United States)

    2005-05-26

    Theory : Recommendations For The National Strategy To Defeat Terrorism.” Student Issue Paper, Center for Strategic Leadership , US Army War College, July...Lens of Complexity Theory : Recommendations For The National Strategy To Defeat Terrorism.” (Student Issue Paper, Center for Strategic Leadership , US...planners managed to cause confusion in the enemy’s internal model by operating in an unexpected manner. 140 Glenn E. James, “Chaos Theory : The

  7. Overview of Management Theory

    Science.gov (United States)

    1991-02-01

    theory orients command leadership for the enormous task of managing organizations in our environment fraught with volatility, uncertainty...performance and organizational ethics. A THEORY OF MANAGEMENT BACKGROUND BASIC MANAGEMENT BEHAVIORAL Definitions FUNCTIONS ASPECTS History Planning Leadership ...the best way to manage in their theory of managerial leadership . To them, the 9,9 position on their model, "is acknowledged by managers as the

  8. Introduction to superstring theory

    Energy Technology Data Exchange (ETDEWEB)

    Nunez, Carmen [Instituto de Astronomia y Fisica del Espacio, Buenos Aires (Argentina)], e-mail: carmen@iafe.uba.ar

    2009-07-01

    This is a very basic introduction to the AdS/CFT correspondence. The first lecture motivates the duality between gauge theories and gravity/string theories. The next two lectures introduce the bosonic and supersymmetric string theories. The fourth lecture is devoted to study Dp-branes and finally, in the fifth lecture I discuss the two worlds: N=4 SYM in 3+1 flat dimensions and type IIB superstrings in AdS{sub 5} x S5. (author)

  9. Lattice gauge theories

    International Nuclear Information System (INIS)

    Petronzio, R.

    1992-01-01

    Lattice gauge theories are about fifteen years old and I will report on the present status of the field without making the elementary introduction that can be found in the proceedings of the last two conferences. The talk covers briefly the following subjects: the determination of α s , the status of spectroscopy, heavy quark physics and in particular the calculation of their hadronic weak matrix elements, high temperature QCD, non perturbative Higgs bounds, chiral theories on the lattice and induced theories

  10. Interfacial phenomenon theory

    International Nuclear Information System (INIS)

    Kim, Jong Deuk

    2000-02-01

    This book is composed of 8 chapters. It tells what interfacial phenomenon is by showing interfacial energy, characteristic of interface and system of interface from chapter 1. It also introduces interfacial energy and structure theory, molecular structure and orientation theory, and interfacial electricity phenomenon theory in the following 3 chapters. It still goes on by introducing super molecule cluster, disequilibrium dispersion, and surface and film through 3 chapters. And the last chapter is about colloid and application of interface.

  11. Relativity theory - topical

    International Nuclear Information System (INIS)

    Schmutzer, E.

    1979-01-01

    Issued on the occasion of Albert Einstein's 100th birthday the book deals topically with the special and general relativity theory. The latest experiments to confirm the relativity theory are described and the historical development of the theory is presented in detail. Emphasis is given to the disclosure of deep insights into the nature of matter. Of interest to experts in physical and natural sciences and to mathematicians

  12. Advanced Tokamak Stability Theory

    Science.gov (United States)

    Zheng, Linjin

    2015-03-01

    The intention of this book is to introduce advanced tokamak stability theory. We start with the derivation of the Grad-Shafranov equation and the construction of various toroidal flux coordinates. An analytical tokamak equilibrium theory is presented to demonstrate the Shafranov shift and how the toroidal hoop force can be balanced by the application of a vertical magnetic field in tokamaks. In addition to advanced theories, this book also discusses the intuitive physics pictures for various experimentally observed phenomena.

  13. Theories of Leptonic Flavor

    DEFF Research Database (Denmark)

    Hagedorn, Claudia

    2017-01-01

    I discuss different theories of leptonic flavor and their capability of describing the features of the lepton sector, namely charged lepton masses, neutrino masses, lepton mixing angles and leptonic (low and high energy) CP phases. In particular, I show examples of theories with an abelian flavor...... symmetry G_f, with a non-abelian G_f as well as theories with non-abelian G_f and CP....

  14. Theory of particle interactions

    International Nuclear Information System (INIS)

    Belokurov, V.V.; Shirkov, D.V.

    1986-01-01

    Development and modern state of the theory of elementary particle interactions is described. The main aim of the paper is to give a picture of quantum field theory development in the form easily available for physicists not occupied in this field of science. Besides the outline of chronological development of main representations, the description of renormalization and renorm-groups, gauge theories, models of electro-weak interactions and quantum chromodynamics, the latest investigations related to joining all interactions and supersymmetries is given

  15. Matrix String Theory

    CERN Document Server

    Dijkgraaf, R; Verlinde, Herman L

    1997-01-01

    Via compactification on a circle, the matrix model of M-theory proposed by Banks et al suggests a concrete identification between the large N limit of two-dimensional N=8 supersymmetric Yang-Mills theory and type IIA string theory. In this paper we collect evidence that supports this identification. We explicitly identify the perturbative string states and their interactions, and describe the appearance of D-particle and D-membrane states.

  16. Periodization Theory: Confronting an Inconvenient Truth.

    Science.gov (United States)

    Kiely, John

    2018-04-01

    Periodization theory has, over the past seven decades, emerged as the preeminent training planning paradigm. The philosophical underpinnings of periodization theory can be traced back to the integration of diverse shaping influences, whereby coaching beliefs and traditions were blended with historically available scientific insights and contextualized against pervading social planning models. Since then, many dimensions of elite preparation have evolved significantly, as driven by a combination of coaching innovations and science-led advances in training theory, techniques, and technologies. These advances have been incorporated into the fabric of the pre-existing periodization planning framework, yet the philosophical assumptions underpinning periodization remain largely unchallenged and unchanged. One particularly influential academic sphere of study, the science of stress, particularly the work of Hans Selye, is repeatedly cited by theorists as a central pillar upon which periodization theory is founded. A fundamental assumption emanating from the early stress research is that physical stress is primarily a biologically mediated phenomenon: a presumption translated to athletic performance contexts as evidence that mechanical training stress directly regulates the magnitude of subsequent 'fitness' adaptations. Interestingly, however, since periodization theory first emerged, the science of stress has evolved extensively from its historical roots. This raises a fundamental question: if the original scientific platform upon which periodization theory was founded has disintegrated, should we critically re-evaluate conventional perspectives through an updated conceptual lens? Realigning periodization philosophy with contemporary stress theory thus presents us with an opportunity to recalibrate training planning models with both contemporary scientific insight and progressive coaching practice.

  17. Quantum field theory

    International Nuclear Information System (INIS)

    Ryder, L.H.

    1985-01-01

    This introduction to the ideas and techniques of quantum field theory presents the material as simply as possible and is designed for graduate research students. After a brief survey of particle physics, the quantum theory of scalar and spinor fields and then of gauge fields, is developed. The emphasis throughout is on functional methods, which have played a large part in modern field theory. The book concludes with a bridge survey of ''topological'' objects in field theory and assumes a knowledge of quantum mechanics and special relativity

  18. Games, theory and applications

    CERN Document Server

    Thomas, L C

    2011-01-01

    Anyone with a knowledge of basic mathematics will find this an accessible and informative introduction to game theory. It opens with the theory of two-person zero-sum games, two-person non-zero sum games, and n-person games, at a level between nonmathematical introductory books and technical mathematical game theory books. Succeeding sections focus on a variety of applications - including introductory explanations of gaming and meta games - that offer nonspecialists information about new areas of game theory at a comprehensible level. Numerous exercises appear with full solutions, in addition

  19. Empirical comparison of theories

    International Nuclear Information System (INIS)

    Opp, K.D.; Wippler, R.

    1990-01-01

    The book represents the first, comprehensive attempt to take an empirical approach for comparative assessment of theories in sociology. The aims, problems, and advantages of the empirical approach are discussed in detail, and the three theories selected for the purpose of this work are explained. Their comparative assessment is performed within the framework of several research projects, which among other subjects also investigate the social aspects of the protest against nuclear power plants. The theories analysed in this context are the theory of mental incongruities and that of the benefit, and their efficiency in explaining protest behaviour is compared. (orig./HSCH) [de

  20. Quantum field theory

    CERN Document Server

    Mandl, Franz

    2010-01-01

    Following on from the successful first (1984) and revised (1993) editions, this extended and revised text is designed as a short and simple introduction to quantum field theory for final year physics students and for postgraduate students beginning research in theoretical and experimental particle physics. The three main objectives of the book are to: Explain the basic physics and formalism of quantum field theory To make the reader proficient in theory calculations using Feynman diagrams To introduce the reader to gauge theories, which play a central role in elementary particle physic