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Sample records for network theory electronic

  1. Linear network theory

    CERN Document Server

    Sander, K F

    1964-01-01

    Linear Network Theory covers the significant algebraic aspect of network theory, with minimal reference to practical circuits. The book begins the presentation of network analysis with the exposition of networks containing resistances only, and follows it up with a discussion of networks involving inductance and capacity by way of the differential equations. Classification and description of certain networks, equivalent networks, filter circuits, and network functions are also covered. Electrical engineers, technicians, electronics engineers, electricians, and students learning the intricacies

  2. Theory and design of broadband matching networks applied electricity and electronics

    CERN Document Server

    Chen, Wai-Kai

    1976-01-01

    Theory and Design of Broadband Matching Networks centers on the network theory and its applications to the design of broadband matching networks and amplifiers. Organized into five chapters, this book begins with a description of the foundation of network theory. Chapter 2 gives a fairly complete exposition of the scattering matrix associated with an n-port network. Chapter 3 considers the approximation problem along with a discussion of the approximating functions. Chapter 4 explains the Youla's theory of broadband matching by illustrating every phase of the theory with fully worked out examp

  3. Neural-network-based depth-resolved multiscale structural optimization using density functional theory and electron diffraction data

    Science.gov (United States)

    Pennington, Robert S.; Coll, Catalina; Estradé, Sònia; Peiró, Francesca; Koch, Christoph T.

    2018-01-01

    Iterative neural-network-based three-dimensional structural optimization of atomic positions over tens of nanometers is performed using transmission electron microscope (TEM) diffraction data simulated from density functional theory (DFT) all-electron densities, thus retrieving parameter variations along the beam direction. We first use experimental data to show that the GPAW DFT code's all-electron densities are considerably more accurate for electron diffraction calculations compared to conventional isolated-atom scattering factors, and they also compare well to Wien2K DFT simulations. This DFT-TEM combination is then integrated into an iterative neural-network-optimization-based algorithm (PRIMES, parameter retrieval and inversion from multiple electron scattering) to retrieve nanometer-scale ferroelectric polarization domains and strain in theoretical bulklike specimens from TEM data. DFT and isolated-atom methods produce substantially different diffraction patterns and retrieved polarization domain parameters, and DFT is sufficient to retrieve strain properties from a silicon specimen simulated using experimentally derived structure factors. Thus, we show that the improved accuracy, fast computation, and intuitive integration make the GPAW DFT code well suited for three-dimensional materials characterization and demonstrate this using an iterative neural-network algorithm that is verifiable on the mesoscale and, with DFT integration, self-consistent on the nanoscale.

  4. Quantum electronics basic theory

    CERN Document Server

    Fain, V M; Sanders, J H

    1969-01-01

    Quantum Electronics, Volume 1: Basic Theory is a condensed and generalized description of the many research and rapid progress done on the subject. It is translated from the Russian language. The volume describes the basic theory of quantum electronics, and shows how the concepts and equations followed in quantum electronics arise from the basic principles of theoretical physics. The book then briefly discusses the interaction of an electromagnetic field with matter. The text also covers the quantum theory of relaxation process when a quantum system approaches an equilibrium state, and explai

  5. Network Theory and Religious Innovation

    DEFF Research Database (Denmark)

    Collar, Anna

    Collar, A. C. F. ‘Network Theory and Religious Innovation’. In Greek and Roman Networks in the Mediterranean, edited by I. Malkin, C. Constantakopoulou, K. Panagopoulou, 144-157. Abingdon: Routledge......Collar, A. C. F. ‘Network Theory and Religious Innovation’. In Greek and Roman Networks in the Mediterranean, edited by I. Malkin, C. Constantakopoulou, K. Panagopoulou, 144-157. Abingdon: Routledge...

  6. Understanding Local and Macroscopic Electron Mobilities in the Fullerene Network of Conjugated Polymer-based Solar Cells. Time-Resolved Microwave Conductivity and Theory

    Energy Technology Data Exchange (ETDEWEB)

    Aguirre, Jordan C. [Univ. of California, Los Angeles, CA (United States); Arntsen, Christopher D. [Univ. of California, Los Angeles, CA (United States); Hernandez, Samuel [Univ. of California, Los Angeles, CA (United States); Huber, Rachel [Univ. of California, Los Angeles, CA (United States); Nardes, Alexandre M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Halim, Merissa [Univ. of California, Los Angeles, CA (United States); Kilbride, Daniel [Univ. of California, Los Angeles, CA (United States); Rubin, Yves [Univ. of California, Los Angeles, CA (United States); Tolbert, Sarah H. [Univ. of California, Los Angeles, CA (United States); Kopidakis, Nikos [National Renewable Energy Lab. (NREL), Golden, CO (United States); Schwartz, Benjamin J. [Univ. of California, Los Angeles, CA (United States); Neuhauser, Daniel [Univ. of California, Los Angeles, CA (United States)

    2013-09-23

    The efficiency of bulk heterojunction (BHJ) organic photovoltaics is sensitive to the morphology of the fullerene network that transports electrons through the device. This sensitivity makes it difficult to distinguish the contrasting roles of local electron mobility (how easily electrons can transfer between neighboring fullerene molecules) and macroscopic electron mobility (how well-connected is the fullerene network on device length scales) in solar cell performance. In this work, a combination of density functional theory (DFT) calculations, flash-photolysis time-resolved microwave conductivity (TRMC) experiments, and space-charge-limit current (SCLC) mobility estimates are used to examine the roles of local and macroscopic electron mobility in conjugated polymer/fullerene BHJ photovoltaics. The local mobility of different pentaaryl fullerene derivatives (so-called ‘shuttlecock’ molecules) is similar, so that differences in solar cell efficiency and SCLC mobilities result directly from the different propensities of these molecules to self-assemble on macroscopic length scales. These experiments and calculations also demonstrate that the local mobility of phenyl-C60 butyl methyl ester (PCBM) is an order of magnitude higher than that of other fullerene derivatives, explaining why PCBM has been the acceptor of choice for conjugated polymer BHJ devices even though it does not form an optimal macroscopic network. The DFT calculations indicate that PCBM's superior local mobility comes from the near-spherical nature of its molecular orbitals, which allow strong electronic coupling between adjacent molecules. In combination, DFT and TRMC techniques provide a tool for screening new fullerene derivatives for good local mobility when designing new molecules that can improve on the macroscopic electron mobility offered by PCBM.

  7. Queueing theory and network applications

    CERN Document Server

    Takahashi, Yutaka; Yue, Wuyi; Nguyen, Viet-Ha

    2016-01-01

    The 16 papers of this proceedings have been selected from the submissions to the 10th  International Conference on Queueing Theory and Network Applications (QTNA2015) held on 17-20 August, 2015 in Ha Noi and Ha Long, Vietnam. All contributions discuss theoretical and practical issues connected with queueing theory and its applications in networks and other related fields. The book brings together researchers, scientists and practitioners from the world and offers an open forum to share the latest important research accomplishments and challenging problems in the area of queueing theory and network applications.

  8. Graph theory and interconnection networks

    CERN Document Server

    Hsu, Lih-Hsing

    2008-01-01

    The advancement of large scale integrated circuit technology has enabled the construction of complex interconnection networks. Graph theory provides a fundamental tool for designing and analyzing such networks. Graph Theory and Interconnection Networks provides a thorough understanding of these interrelated topics. After a brief introduction to graph terminology, the book presents well-known interconnection networks as examples of graphs, followed by in-depth coverage of Hamiltonian graphs. Different types of problems illustrate the wide range of available methods for solving such problems. The text also explores recent progress on the diagnosability of graphs under various models.

  9. Information Theory of Networks

    Directory of Open Access Journals (Sweden)

    Matthias Dehmer

    2011-11-01

    Full Text Available The paper puts the emphasis on surveying information-theoretic network measures for analyzing the structure of networks. In order to apply the quantities interdisciplinarily, we also discuss some of their properties such as their structural interpretation and uniqueness.

  10. Molecular electronic-structure theory

    CERN Document Server

    Helgaker, Trygve; Jorgensen, Poul

    2013-01-01

    Ab initio quantum chemistry is increasingly paired with computational methods to solve intractable problems in chemistry and molecular physics. Now in a paperback edition, this comprehensive and technical work covers all the important aspects of modern molecular electronic-structure theory, clearly explaining quantum-mechanical methods and applications to molecular equilibrium structure, atomization energies, and reaction enthalpies. Extensive numerical examples illustrate each method described. An excellent resource for researchers in quantum chemistry and anyone interested in the theory and its applications.

  11. Electronics from theory into practice

    CERN Document Server

    Fisher, J E; Hammond, P

    1976-01-01

    Electronics - From Theory Into Practice deals with design procedures in electronics and bridges the gap between theoretical knowledge and practice. It provides design examples and discusses the use of the Laplace Transform for solving engineering problems. The book introduces bipolar and field effect transistor, the unijunction transistor and the silicon-controlled rectifier, and shows how data sheets are used in design calculations. It then examines the development of integrated circuits and their characteristics. Following this discussion are chapters that contain a brief treatment of theory

  12. Potential Theory for Directed Networks

    Science.gov (United States)

    Zhang, Qian-Ming; Lü, Linyuan; Wang, Wen-Qiang; Zhou, Tao

    2013-01-01

    Uncovering factors underlying the network formation is a long-standing challenge for data mining and network analysis. In particular, the microscopic organizing principles of directed networks are less understood than those of undirected networks. This article proposes a hypothesis named potential theory, which assumes that every directed link corresponds to a decrease of a unit potential and subgraphs with definable potential values for all nodes are preferred. Combining the potential theory with the clustering and homophily mechanisms, it is deduced that the Bi-fan structure consisting of 4 nodes and 4 directed links is the most favored local structure in directed networks. Our hypothesis receives strongly positive supports from extensive experiments on 15 directed networks drawn from disparate fields, as indicated by the most accurate and robust performance of Bi-fan predictor within the link prediction framework. In summary, our main contribution is twofold: (i) We propose a new mechanism for the local organization of directed networks; (ii) We design the corresponding link prediction algorithm, which can not only testify our hypothesis, but also find out direct applications in missing link prediction and friendship recommendation. PMID:23408979

  13. Molecular electronic-structure theory

    CERN Document Server

    Helgaker, Trygve; Olsen, Jeppe

    2014-01-01

    Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluati

  14. The tensor network theory library

    Science.gov (United States)

    Al-Assam, S.; Clark, S. R.; Jaksch, D.

    2017-09-01

    In this technical paper we introduce the tensor network theory (TNT) library—an open-source software project aimed at providing a platform for rapidly developing robust, easy to use and highly optimised code for TNT calculations. The objectives of this paper are (i) to give an overview of the structure of TNT library, and (ii) to help scientists decide whether to use the TNT library in their research. We show how to employ the TNT routines by giving examples of ground-state and dynamical calculations of one-dimensional bosonic lattice system. We also discuss different options for gaining access to the software available at www.tensornetworktheory.org.

  15. Consumer culture theory (re)visits actor-network theory

    DEFF Research Database (Denmark)

    Bajde, Domen

    2013-01-01

    The vocabulary and tactics developed by actor-network theory (ANT) can shed light on several ontological and epistemological challenges faced by consumer culture theory. Rather than providing ready-made theories or methods, our translation of ANT puts forward a series of questions and propositions...

  16. Wireless network security theories and applications

    CERN Document Server

    Chen, Lei; Zhang, Zihong

    2013-01-01

    Wireless Network Security Theories and Applications discusses the relevant security technologies, vulnerabilities, and potential threats, and introduces the corresponding security standards and protocols, as well as provides solutions to security concerns. Authors of each chapter in this book, mostly top researchers in relevant research fields in the U.S. and China, presented their research findings and results about the security of the following types of wireless networks: Wireless Cellular Networks, Wireless Local Area Networks (WLANs), Wireless Metropolitan Area Networks (WMANs), Bluetooth

  17. The Lorentz Theory of Electrons and Einstein's Theory of Relativity

    Science.gov (United States)

    Goldberg, Stanley

    1969-01-01

    Traces the development of Lorentz's theory of electrons as applied to the problem of the electrodynamics of moving bodies. Presents evidence that the principle of relativity did not play an important role in Lorentz's theory, and that though Lorentz eventually acknowledged Einstein's work, he was unwilling to completely embrace the Einstein…

  18. Applying Information Theory to Neuronal Networks: From Theory to Experiments

    NARCIS (Netherlands)

    Jung, T.I.; Vogiatzian, F.; Har-Shemesh, O.; Fitzsimons, C.P.; Quax, R.

    2014-01-01

    Information-theory is being increasingly used to analyze complex, self-organizing processes on networks, predominantly in analytical and numerical studies. Perhaps one of the most paradigmatic complex systems is a network of neurons, in which cognition arises from the information storage, transfer,

  19. Queuing theory and telecommunications networks and applications

    CERN Document Server

    Giambene, Giovanni

    2014-01-01

    This book provides a basic description of current networking technologies and protocols as well as important tools for network performance analysis based on queuing theory. The second edition adds selected contents in the first part of the book for what concerns: (i) the token bucket regulator and traffic shaping issues; (ii) the TCP protocol congestion control that has a significant part in current networking; (iii) basic satellite networking issues; (iv) adding details on QoS support in IP networks. The book is organized so that networking technologies and protocols (Part I) are first and are then followed by theory and exercises with applications to the different technologies and protocols (Part II). This book is intended as a textbook for master level courses in networking and telecommunications sectors.

  20. Network Detection Theory and Performance

    OpenAIRE

    Smith, Steven T.; Senne, Kenneth D.; Philips, Scott; Kao, Edward K.; Bernstein, Garrett

    2013-01-01

    Network detection is an important capability in many areas of applied research in which data can be represented as a graph of entities and relationships. Oftentimes the object of interest is a relatively small subgraph in an enormous, potentially uninteresting background. This aspect characterizes network detection as a "big data" problem. Graph partitioning and network discovery have been major research areas over the last ten years, driven by interest in internet search, cyber security, soc...

  1. Matching theory for wireless networks

    CERN Document Server

    Han, Zhu; Saad, Walid

    2017-01-01

    This book provides the fundamental knowledge of the classical matching theory problems. It builds up the bridge between the matching theory and the 5G wireless communication resource allocation problems. The potentials and challenges of implementing the semi-distributive matching theory framework into the wireless resource allocations are analyzed both theoretically and through implementation examples. Academics, researchers, engineers, and so on, who are interested in efficient distributive wireless resource allocation solutions, will find this book to be an exceptional resource. .

  2. A first course in network theory

    CERN Document Server

    Estrada, Ernesto

    2015-01-01

    The study of network theory is a highly interdisciplinary field, which has emerged as a major topic of interest in various disciplines ranging from physics and mathematics, to biology and sociology. This book promotes the diverse nature of the study of complex networks by balancing the needs of students from very different backgrounds. It references the most commonly used concepts in network theory, provides examples of their applications in solving practicalproblems, and clear indications on how to analyse their results.In the first part of the book, students and researchers will discover the

  3. Mathematical theories of distributed sensor networks

    CERN Document Server

    Iyengar, Sitharama S; Balakrishnan, N

    2014-01-01

    Mathematical Theory of Distributed Sensor Networks demonstrates how mathematical theories can be used to provide distributed sensor modeling and to solve important problems such as coverage hole detection and repair. The book introduces the mathematical and computational structure by discussing what they are, their applications and how they differ from traditional systems. The text also explains how mathematics are utilized to provide efficient techniques implementing effective coverage, deployment, transmission, data processing, signal processing, and data protection within distributed sensor networks. Finally, the authors discuss some important challenges facing mathematics to get more incite to the multidisciplinary area of distributed sensor networks.

  4. Kinetic theory of free electron lasers

    Energy Technology Data Exchange (ETDEWEB)

    Hafizi, B. [Naval Research Lab., Washington, DC (United States); Roberson, C.W. [Office of Naval Research, Arlington, VA (United States)

    1995-12-31

    We have developed a relativistic kinetic theory of free electron lasers (FELs). The growth rate, efficiency, filling factor and radius of curvature of the radiation wave fronts are determined. We have used the theory to examine the effects of beam compression on growth rate. The theory has been extended to include self field effects on FEL operation. These effects are particularly important in compact, low voltage FELs. The surprising result is that the self field contribution to the beam quality is opposite to the emittance contribution. Hence self fields can improve beam quality, particularly in compact, low voltage FELs.

  5. Graphical Model Theory for Wireless Sensor Networks

    Energy Technology Data Exchange (ETDEWEB)

    Davis, William B.

    2002-12-08

    Information processing in sensor networks, with many small processors, demands a theory of computation that allows the minimization of processing effort, and the distribution of this effort throughout the network. Graphical model theory provides a probabilistic theory of computation that explicitly addresses complexity and decentralization for optimizing network computation. The junction tree algorithm, for decentralized inference on graphical probability models, can be instantiated in a variety of applications useful for wireless sensor networks, including: sensor validation and fusion; data compression and channel coding; expert systems, with decentralized data structures, and efficient local queries; pattern classification, and machine learning. Graphical models for these applications are sketched, and a model of dynamic sensor validation and fusion is presented in more depth, to illustrate the junction tree algorithm.

  6. COalitions in COOperation Networks (COCOON): Social Network Analysis and Game Theory to Enhance Cooperation Networks

    NARCIS (Netherlands)

    Sie, Rory

    2012-01-01

    Sie, R. L. L. (2012). COalitions in COOperation Networks (COCOON): Social Network Analysis and Game Theory to Enhance Cooperation Networks (Unpublished doctoral dissertation). September, 28, 2012, Open Universiteit in the Netherlands (CELSTEC), Heerlen, The Netherlands.

  7. Information theory perspective on network robustness

    Energy Technology Data Exchange (ETDEWEB)

    Schieber, Tiago A. [Departmento de Engenharia de Produção, Universidade Federal de Minas Gerais, Belo Horizonte, MG (Brazil); Industrial and Systems Engineering, University of Florida, Gainesville, FL (United States); Carpi, Laura [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Colom 11, Terrassa, 08222, Barcelona (Spain); Frery, Alejandro C. [Laboratório de Computação Científica e Análise Numérica (LaCCAN), Universidade Federal de Alagoas, Maceió, Alagoas (Brazil); Rosso, Osvaldo A. [Instituto de Física, Universidade Federal de Alagoas, Maceió, Alagoas (Brazil); Instituto Tecnológico de Buenos Aires (ITBA), Ciudad Autónoma de Buenos Aires (Argentina); Pardalos, Panos M. [Industrial and Systems Engineering, University of Florida, Gainesville, FL (United States); Ravetti, Martín G., E-mail: martin.ravetti@dep.ufmg.br [Departmento de Engenharia de Produção, Universidade Federal de Minas Gerais, Belo Horizonte, MG (Brazil); Departament de Física Fonamental, Universitat de Barcelona, Barcelona (Spain)

    2016-01-28

    A crucial challenge in network theory is the study of the robustness of a network when facing a sequence of failures. In this work, we propose a dynamical definition of network robustness based on Information Theory, that considers measurements of the structural changes caused by failures of the network's components. Failures are defined here as a temporal process defined in a sequence. Robustness is then evaluated by measuring dissimilarities between topologies after each time step of the sequence, providing a dynamical information about the topological damage. We thoroughly analyze the efficiency of the method in capturing small perturbations by considering different probability distributions on networks. In particular, we find that distributions based on distances are more consistent in capturing network structural deviations, as better reflect the consequences of the failures. Theoretical examples and real networks are used to study the performance of this methodology. - Highlights: • A novel methodology to measure the robustness of a network to component failure or targeted attacks is proposed. • The use of the network's distance PDF allows a precise analysis. • The method provides a dynamic robustness profile showing the response of the topology to each failure event. • The measure is capable to detect network's critical elements.

  8. Network Security Validation Using Game Theory

    Science.gov (United States)

    Papadopoulou, Vicky; Gregoriades, Andreas

    Non-functional requirements (NFR) such as network security recently gained widespread attention in distributed information systems. Despite their importance however, there is no systematic approach to validate these requirements given the complexity and uncertainty characterizing modern networks. Traditionally, network security requirements specification has been the results of a reactive process. This however, limited the immunity property of the distributed systems that depended on these networks. Security requirements specification need a proactive approach. Networks' infrastructure is constantly under attack by hackers and malicious software that aim to break into computers. To combat these threats, network designers need sophisticated security validation techniques that will guarantee the minimum level of security for their future networks. This paper presents a game-theoretic approach to security requirements validation. An introduction to game theory is presented along with an example that demonstrates the application of the approach.

  9. Theory of Semiflexible Filaments and Networks

    Directory of Open Access Journals (Sweden)

    Fanlong Meng

    2017-02-01

    Full Text Available We briefly review the recent developments in the theory of individual semiflexible filaments, and of a crosslinked network of such filaments, both permanent and transient. Starting from the free energy of an individual semiflexible chain, models on its force-extension relation and other mechanical properties such as Euler buckling are discussed. For a permanently crosslinked network of filaments, theories on how the network responds to deformation are provided, with a focus on continuum approaches. Characteristic features of filament networks, such as nonlinear stress-strain relation, negative normal stress, tensegrity, and marginal stability are discussed. In the new area of transient filament network, where the crosslinks can be dynamically broken and re-formed, we show some recent attempts for understanding the dynamics of the crosslinks, and the related rheological properties, such as stress relaxation, yield stress and plasticity.

  10. Theory of the Electron Sheath and Presheath

    CERN Document Server

    Scheiner, Brett; Yee, Benjamin T; Hopkins, Matthew M; Barnat, Edward V

    2015-01-01

    Electron sheaths are commonly found near Langmuir probes collecting the electron saturation current. The common assumption is that the probe collects the random flux of electrons incident on the sheath, which tacitly implies that there is no electron presheath and that the flux collected is due to a velocity space truncation of the electron velocity distribution function (EVDF). This work provides a dedicated theory of electron sheaths, which suggests that they are not so simple. Motivated by EVDFs observed in Particle-In-Cell (PIC) simulations, a 1D model for the electron sheath and presheath is developed. In the model, under low temperature plasma conditions ($T_e\\gg T_i$), an electron pressure gradient accelerates electrons in the presheath to a flow velocity that exceeds the electron thermal speed at the sheath edge. This pressure gradient generates large flow velocities compared to what would be generated by ballistic motion in response to the electric field. It is found that in many situations, under co...

  11. Fuzzy neural network theory and application

    CERN Document Server

    Liu, Puyin

    2004-01-01

    This book systematically synthesizes research achievements in the field of fuzzy neural networks in recent years. It also provides a comprehensive presentation of the developments in fuzzy neural networks, with regard to theory as well as their application to system modeling and image restoration. Special emphasis is placed on the fundamental concepts and architecture analysis of fuzzy neural networks. The book is unique in treating all kinds of fuzzy neural networks and their learning algorithms and universal approximations, and employing simulation examples which are carefully designed to he

  12. Research into Queueing Network Theory.

    Science.gov (United States)

    1977-09-01

    recomposition , and stretching) that have been considered in queueing networks map arrival processes that are Markov renewal processes into other...research under this contract are marked by a double asterik(**). Other references are to work cited in the body of the report and are not ideas

  13. Psychology and social networks: a dynamic network theory perspective.

    Science.gov (United States)

    Westaby, James D; Pfaff, Danielle L; Redding, Nicholas

    2014-04-01

    Research on social networks has grown exponentially in recent years. However, despite its relevance, the field of psychology has been relatively slow to explain the underlying goal pursuit and resistance processes influencing social networks in the first place. In this vein, this article aims to demonstrate how a dynamic network theory perspective explains the way in which social networks influence these processes and related outcomes, such as goal achievement, performance, learning, and emotional contagion at the interpersonal level of analysis. The theory integrates goal pursuit, motivation, and conflict conceptualizations from psychology with social network concepts from sociology and organizational science to provide a taxonomy of social network role behaviors, such as goal striving, system supporting, goal preventing, system negating, and observing. This theoretical perspective provides psychologists with new tools to map social networks (e.g., dynamic network charts), which can help inform the development of change interventions. Implications for social, industrial-organizational, and counseling psychology as well as conflict resolution are discussed, and new opportunities for research are highlighted, such as those related to dynamic network intelligence (also known as cognitive accuracy), levels of analysis, methodological/ethical issues, and the need to theoretically broaden the study of social networking and social media behavior. (PsycINFO Database Record (c) 2014 APA, all rights reserved).

  14. Excess electrons in ice: a density functional theory study.

    Science.gov (United States)

    Bhattacharya, Somesh Kr; Inam, Fakharul; Scandolo, Sandro

    2014-02-21

    We present a density functional theory study of the localization of excess electrons in the bulk and on the surface of crystalline and amorphous water ice. We analyze the initial stages of electron solvation in crystalline and amorphous ice. In the case of crystalline ice we find that excess electrons favor surface states over bulk states, even when the latter are localized at defect sites. In contrast, in amorphous ice excess electrons find it equally favorable to localize in bulk and in surface states which we attribute to the preexisting precursor states in the disordered structure. In all cases excess electrons are found to occupy the vacuum regions of the molecular network. The electron localization in the bulk of amorphous ice is assisted by its distorted hydrogen bonding network as opposed to the crystalline phase. Although qualitative, our results provide a simple interpretation of the large differences observed in the dynamics and localization of excess electrons in crystalline and amorphous ice films on metals.

  15. Analog Electronic Filters Theory, Design and Synthesis

    CERN Document Server

    Dimopoulos, Hercules G

    2012-01-01

    Filters are essential subsystems in a huge variety of electronic systems. Filter applications are innumerable; they are used for noise reduction, demodulation, signal detection, multiplexing, sampling, sound and speech processing, transmission line equalization and image processing, to name just a few. In practice, no electronic system can exist without filters. They can be found in everything from power supplies to mobile phones and hard disk drives and from loudspeakers and MP3 players to home cinema systems and broadband Internet connections. This textbook introduces basic concepts and methods and the associated mathematical and computational tools employed in electronic filter theory, synthesis and design.  This book can be used as an integral part of undergraduate courses on analog electronic filters. Includes numerous, solved examples, applied examples and exercises for each chapter. Includes detailed coverage of active and passive filters in an independent but correlated manner. Emphasizes real filter...

  16. Towards an Information Theory of Complex Networks

    CERN Document Server

    Dehmer, Matthias; Mehler, Alexander

    2011-01-01

    For over a decade, complex networks have steadily grown as an important tool across a broad array of academic disciplines, with applications ranging from physics to social media. A tightly organized collection of carefully-selected papers on the subject, Towards an Information Theory of Complex Networks: Statistical Methods and Applications presents theoretical and practical results about information-theoretic and statistical models of complex networks in the natural sciences and humanities. The book's major goal is to advocate and promote a combination of graph-theoretic, information-theoreti

  17. Development of the doppler electron velocimeter: theory.

    Energy Technology Data Exchange (ETDEWEB)

    Reu, Phillip L.

    2007-03-01

    Measurement of dynamic events at the nano-scale is currently impossible. This paper presents the theoretical underpinnings of a method for making these measurements using electron microscopes. Building on the work of Moellenstedt and Lichte who demonstrated Doppler shifting of an electron beam with a moving electron mirror, further work is proposed to perfect and utilize this concept in dynamic measurements. Specifically, using the concept of ''fringe-counting'' with the current principles of transmission electron holography, an extension of these methods to dynamic measurements is proposed. A presentation of the theory of Doppler electron wave shifting is given, starting from the development of the de Broglie wave, up through the equations describing interference effects and Doppler shifting in electron waves. A mathematical demonstration that Doppler shifting is identical to the conceptually easier to understand idea of counting moving fringes is given by analogy to optical interferometry. Finally, potential developmental experiments and uses of a Doppler electron microscope are discussed.

  18. The theory of electronic topological transitions

    Science.gov (United States)

    Blanter, Ya. M.; Kaganov, M. I.; Pantsulaya, A. V.; Varlamov, A. A.

    1994-09-01

    In the present review an attemp to survey all the theory of electronic topological transitions from the very first paper until the recent achievements is made. The presentation is started from the description of possible topological siguularities in electronic spectra of metals. Then the singularities of thermodynamical and transport properties of a metal in the vicinity of ETT, their fluctuations are discussed in details. In purpose to attract the wide reader audience, the transport phenomena including the behaviour of conductivity, thermoelectric power and sound absorption coefficient in the vicinity ETT are discussed in the framework of simple Boltzmann equation approach. The last chapter of the review are devoted to the discussion of the modern problems of ETT theory, application of it to the study of properties of 2D systems, quantum oscillations in magnetic field, generalized topological transitoins. The review is supplied by the extensive and complete bibliography including around 300 references.

  19. Exploring network theory for mass drug administration.

    Science.gov (United States)

    Chami, Goylette F; Molyneux, David H; Kontoleon, Andreas A; Dunne, David W

    2013-08-01

    Network theory is a well-established discipline that uses mathematical graphs to describe biological, physical, and social systems. The topologies across empirical networks display strikingly similar organizational properties. In particular, the characteristics of these networks allow computational analysis to contribute data unattainable from examining individual components in isolation. However, the interdisciplinary and quantitative nature of network analysis has yet to be exploited by public health initiatives to distribute preventive chemotherapies. One notable application is the 2012 World Health Organization (WHO) Roadmap for Neglected Tropical Diseases (NTDs) where there is a need to upscale distribution capacity and to target systematic noncompliers. An understanding of local networks for analysing the distributional properties of community-directed treatment may facilitate sustainable expansion of mass drug-administration (MDA) programs. Copyright © 2013 Elsevier Ltd. All rights reserved.

  20. Electronic structure theory: Applications and geometrical aspects

    Science.gov (United States)

    Coh, Sinisa

    This thesis contains several applications of the first-principles electronic-structure theory with special emphasis in parts of the thesis on the geometrical aspects of the theory. We start by reviewing the basics of the first-principles electronic-structure methods which are then used throughout the thesis. The first application of these methods is on the analysis of the stability and lattice dynamics of alpha- and beta-cristobalite phases of SiO2. We also map the complete low-energy landscape connecting these two structures and give implications on the phase transition in this compound. Next we study a family of Pbnm perovskites that are promising candidates for silicon-compatible high-K dielectrics. We calculate their structure and dielectric response, and compare with experimental results where available. The third application of these methods is to the large isosymmetric reorientation of oxygen octahedra rotation axes in epitaxially strained perovskites. We explain the origin of the peculiar energy landscape topology as a function of epitaxial strain. In the part of the thesis devoted to the geometrical aspects of electronic structure theory, we begin by extending the concept of electronic polarization to a Chern insulators. These insulators are characterized by a non-zero off-diagonal sigma_xy conductivity tensor component, quantized in units of e 2/h. Finally we discuss another geometrical quantity, the Chern-Simons orbital magnetoelectric coupling. We present a first-principles based calculation of this quantity in several compounds, and motivated by recent developments in the theory of topological insulators, we speculate about the existence of "large-theta materials," in which this kind of coupling could be unusually large.

  1. Interacting electrons theory and computational approaches

    CERN Document Server

    Martin, Richard M; Ceperley, David M

    2016-01-01

    Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.

  2. Dobrushin's approach to queueing network theory

    Directory of Open Access Journals (Sweden)

    F. I. Karpelevich

    1996-01-01

    Full Text Available R.L. Dobrushin (1929-1995 made substantial contributions to Queueing Network Theory (QNT. A review of results from QNT which arose from his ideas or were connected to him in other ways is given. We also comment on various related open problems.

  3. Postmodern theories about readers in electronic environment

    Directory of Open Access Journals (Sweden)

    Ivanka Kuić

    2015-03-01

    Full Text Available Introductory part of the paper discusses theories about readers in the last decades of the 20th century. In particular, two big theoretical schools are discussed: aesthetic reception theory and reader-response-criticism movement. Readers are a subject of very different scientific disciplines: literature theory, sociology, anthropology, book history and library science. The idea that a reader is an essential subject for future life of a literary work is common to all theorists. By constructing the theory about a reader, theorists have thought about the reader who uses the conventions of printed text. The issue whether these concepts correspond to electronic surroundings is discussed. Characteristics of the hypertext are emphasized as a new paradigm, and also the issue weather readers enjoys in hypertextual fiction. In conclusion, paper expands the virtual dimension of Isers's theory about interaction between the text and the reader, and also Fish's concept of “interpretative community” which may be constituted on the Internet as a flexible virtual community.

  4. Nonequilibrium landscape theory of neural networks

    Science.gov (United States)

    Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin

    2013-01-01

    The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape–flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments. PMID:24145451

  5. Neurocognitive networks: findings, models, and theory.

    Science.gov (United States)

    Meehan, Timothy P; Bressler, Steven L

    2012-11-01

    Through its early history, cognitive neuroscience largely followed a modular paradigm wherein high-level cognitive functions were mapped onto locally segregated brain regions. However, recent evidence drives a continuing shift away from modular theories of cognitive brain function, and toward theories which hold that cognition arises from the integrated activity of large-scale, distributed networks of brain regions. A growing consensus favors the fundamental concept of this new paradigm: the large-scale cognitive brain network, or neurocognitive network. This consensus was the motivation for Neurocognitive Networks 2010 (NCN 2010), a conference sponsored by the Cognitive Neuroscience Program of the National Science Foundation, organized by Drs. Steven Bressler and Craig Richter of Florida Atlantic University (FAU), and held at FAU in Boca Raton, FL on January 29-30, 2010. NCN 2010 gathered together some of today's leading investigators of neurocognitive networks. This paper serves to review their presentations as they relate to the paradigm of neurocognitive networks, as well as to compile the emergent themes, questions, and possible future research directions that arose from the conference. Copyright © 2012 Elsevier Ltd. All rights reserved.

  6. Fuzzy neural networks: theory and applications

    Science.gov (United States)

    Gupta, Madan M.

    1994-10-01

    During recent years, significant advances have been made in two distinct technological areas: fuzzy logic and computational neural networks. The theory of fuzzy logic provides a mathematical framework to capture the uncertainties associated with human cognitive processes, such as thinking and reasoning. It also provides a mathematical morphology to emulate certain perceptual and linguistic attributes associated with human cognition. On the other hand, the computational neural network paradigms have evolved in the process of understanding the incredible learning and adaptive features of neuronal mechanisms inherent in certain biological species. Computational neural networks replicate, on a small scale, some of the computational operations observed in biological learning and adaptation. The integration of these two fields, fuzzy logic and neural networks, have given birth to an emerging technological field -- fuzzy neural networks. Fuzzy neural networks, have the potential to capture the benefits of these two fascinating fields, fuzzy logic and neural networks, into a single framework. The intent of this tutorial paper is to describe the basic notions of biological and computational neuronal morphologies, and to describe the principles and architectures of fuzzy neural networks. Towards this goal, we develop a fuzzy neural architecture based upon the notion of T-norm and T-conorm connectives. An error-based learning scheme is described for this neural structure.

  7. Electric circuit theory applied electricity and electronics

    CERN Document Server

    Yorke, R

    1981-01-01

    Electric Circuit Theory provides a concise coverage of the framework of electrical engineering. Comprised of six chapters, this book emphasizes the physical process of electrical engineering rather than abstract mathematics. Chapter 1 deals with files, circuits, and parameters, while Chapter 2 covers the natural and forced response of simple circuit. Chapter 3 talks about the sinusoidal steady state, and Chapter 4 discusses the circuit analysis. The fifth chapter tackles frequency response of networks, and the last chapter covers polyphase systems. This book will be of great help to electrical

  8. Network Neuroscience Theory of Human Intelligence.

    Science.gov (United States)

    Barbey, Aron K

    2018-01-01

    An enduring aim of research in the psychological and brain sciences is to understand the nature of individual differences in human intelligence, examining the stunning breadth and diversity of intellectual abilities and the remarkable neurobiological mechanisms from which they arise. This Opinion article surveys recent neuroscience evidence to elucidate how general intelligence, g, emerges from individual differences in the network architecture of the human brain. The reviewed findings motivate new insights about how network topology and dynamics account for individual differences in g, represented by the Network Neuroscience Theory. According to this framework, g emerges from the small-world topology of brain networks and the dynamic reorganization of its community structure in the service of system-wide flexibility and adaptation. Copyright © 2017 The Author. Published by Elsevier Ltd.. All rights reserved.

  9. Electronic Social Networks, Teaching, and Learning

    Science.gov (United States)

    Pidduck, Anne Banks

    2010-01-01

    This paper explores the relationship between electronic social networks, teaching, and learning. Previous studies have shown a strong positive correlation between student engagement and learning. By extending this work to engage instructors and add an electronic component, our study shows possible teaching improvement as well. In particular,…

  10. Theory of electron spin echoes in solids

    CERN Document Server

    Asadullina, N Y; Asadullin, Y Y

    2002-01-01

    We propose modified Bloch equations (MBEs) with specific power-dependent relaxation and dispersion parameters characteristic for two-pulse excitation and when the magnetic dipole-dipole interactions in the electron spin system control the dephasing. We discriminate between the 'active' (excited by both pulses) and 'passive' (excited by the second pulse only) spins: it is shown that the 'active' spins participate in a new effect, an active spin frequency modulation effect giving rise to the power-dependent dispersion and multiple electron spin echoes (ESEs); the 'passive' spins contribute to the power-dependent relaxation. The MBEs are solved and a general expression for the two-pulse ESEs is obtained. Detailed numerical analysis of this expression gives results in good quantitative agreement with the recent experiments on the two-pulse ESEs at conventional low applied fields. The developed theory is applied also to high field ESEs, which are promising for future investigations. On the basis of published resul...

  11. Electronic structure theory of the superheavy elements

    Energy Technology Data Exchange (ETDEWEB)

    Eliav, Ephraim, E-mail: ephraim@tau.ac.il [School of Chemistry, Tel Aviv University, 6997801 Tel Aviv (Israel); Fritzsche, Stephan, E-mail: s.fritzsche@gsi.de [Helmholtz-Institut Jena, Fröbelstieg 3, D-07743 Jena (Germany); Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universität Jena, D-07743 Jena (Germany); Kaldor, Uzi, E-mail: kaldor@tau.ac.il [School of Chemistry, Tel Aviv University, 6997801 Tel Aviv (Israel)

    2015-12-15

    High-accuracy calculations of atomic properties of the superheavy elements (SHE) up to element 122 are reviewed. The properties discussed include ionization potentials, electron affinities and excitation energies, which are associated with the spectroscopic and chemical behavior of these elements, and are therefore of considerable interest. Accurate predictions of these quantities require high-order inclusion of relativity and electron correlation, as well as large, converged basis sets. The Dirac–Coulomb–Breit Hamiltonian, which includes all terms up to second order in the fine-structure constant α, serves as the framework for the treatment; higher-order Lamb shift terms are considered in some selected cases. Electron correlation is treated by either the multiconfiguration self-consistent-field approach or by Fock-space coupled cluster theory. The latter is enhanced by the intermediate Hamiltonian scheme, allowing the use of larger model (P) spaces. The quality of the calculations is assessed by applying the same methods to lighter homologs of the SHEs and comparing with available experimental information. Very good agreement is obtained, within a few hundredths of an eV, and similar accuracy is expected for the SHEs. Many of the properties predicted for the SHEs differ significantly from what may be expected by straightforward extrapolation of lighter homologs, demonstrating that the structure and chemistry of SHEs are strongly affected by relativity. The major scientific challenge of the calculations is to find the electronic structure and basic atomic properties of the SHE and assign its proper place in the periodic table. Significant recent developments include joint experimental–computational studies of the excitation spectrum of Fm and the ionization energy of Lr, with excellent agreement of experiment and theory, auguring well for the future of research in the field.

  12. Using graph theory to analyze biological networks

    Science.gov (United States)

    2011-01-01

    Understanding complex systems often requires a bottom-up analysis towards a systems biology approach. The need to investigate a system, not only as individual components but as a whole, emerges. This can be done by examining the elementary constituents individually and then how these are connected. The myriad components of a system and their interactions are best characterized as networks and they are mainly represented as graphs where thousands of nodes are connected with thousands of vertices. In this article we demonstrate approaches, models and methods from the graph theory universe and we discuss ways in which they can be used to reveal hidden properties and features of a network. This network profiling combined with knowledge extraction will help us to better understand the biological significance of the system. PMID:21527005

  13. Electronic device aspects of neural network memories

    Science.gov (United States)

    Lambe, J.; Moopenn, A.; Thakoor, A. P.

    1985-01-01

    The basic issues related to the electronic implementation of the neural network model (NNM) for content addressable memories are examined. A brief introduction to the principles of the NNM is followed by an analysis of the information storage of the neural network in the form of a binary connection matrix and the recall capability of such matrix memories based on a hardware simulation study. In addition, materials and device architecture issues involved in the future realization of such networks in VLSI-compatible ultrahigh-density memories are considered. A possible space application of such devices would be in the area of large-scale information storage without mechanical devices.

  14. Research on Evolutionary Mechanism of Agile Supply Chain Network via Complex Network Theory

    Directory of Open Access Journals (Sweden)

    Nai-Ru Xu

    2016-01-01

    Full Text Available The paper establishes the evolutionary mechanism model of agile supply chain network by means of complex network theory which can be used to describe the growth process of the agile supply chain network and analyze the complexity of the agile supply chain network. After introducing the process and the suitability of taking complex network theory into supply chain network research, the paper applies complex network theory into the agile supply chain network research, analyzes the complexity of agile supply chain network, presents the evolutionary mechanism of agile supply chain network based on complex network theory, and uses Matlab to simulate degree distribution, average path length, clustering coefficient, and node betweenness. Simulation results show that the evolution result displays the scale-free property. It lays the foundations of further research on agile supply chain network based on complex network theory.

  15. Interdisciplinary contributions to theory for collaborative networks

    CERN Document Server

    Dekkers, Rob

    2012-01-01

    Scientific progress on a field is mostly discussed within disciplines. Far less attention is paid to outside or between disciplines' work. To speed up research progresses for Collaborative Networks in Manufacturing, a base for further grounded theory establishment is propagated recalling some of the most relevant chapters of philosophy of science. The focus is put onto the roles of disciplines and their scholars involved in interdisciplinary contexts in order to further motivate as well as to hint at a number of catalysing forces and fruitful impacts of outside disciplines' work.

  16. Wireless sensor networks from theory to applications

    CERN Document Server

    El Emary, Ibrahiem M M

    2013-01-01

    Although there are many books available on WSNs, most are low-level, introductory books. The few available for advanced readers fail to convey the breadth of knowledge required for those aiming to develop next-generation solutions for WSNs. Filling this void, Wireless Sensor Networks: From Theory to Applications supplies comprehensive coverage of WSNs. In order to provide the wide-ranging guidance required, the book brings together the contributions of domain experts working in the various subfields of WSNs worldwide. This edited volume examines recent advances in WSN technologies and consider

  17. Architecture for networked electronic patient record systems.

    Science.gov (United States)

    Takeda, H; Matsumura, Y; Kuwata, S; Nakano, H; Sakamoto, N; Yamamoto, R

    2000-11-01

    There have been two major approaches to the development of networked electronic patient record (EPR) architecture. One uses object-oriented methodologies for constructing the model, which include the GEHR project, Synapses, HL7 RIM and so on. The second approach uses document-oriented methodologies, as applied in examples of HL7 PRA. It is practically beneficial to take the advantages of both approaches and to add solution technologies for network security such as PKI. In recognition of the similarity with electronic commerce, a certificate authority as a trusted third party will be organised for establishing networked EPR system. This paper describes a Japanese functional model that has been developed, and proposes a document-object-oriented architecture, which is-compared with other existing models.

  18. Problems of linear electron (polaron) transport theory in semiconductors

    CERN Document Server

    Klinger, M I

    1979-01-01

    Problems of Linear Electron (Polaron) Transport Theory in Semiconductors summarizes and discusses the development of areas in electron transport theory in semiconductors, with emphasis on the fundamental aspects of the theory and the essential physical nature of the transport processes. The book is organized into three parts. Part I focuses on some general topics in the theory of transport phenomena: the general dynamical theory of linear transport in dissipative systems (Kubo formulae) and the phenomenological theory. Part II deals with the theory of polaron transport in a crystalline semicon

  19. Kinetic theory of plasma sheaths surrounding electron-emitting surfaces.

    Science.gov (United States)

    Sheehan, J P; Hershkowitz, N; Kaganovich, I D; Wang, H; Raitses, Y; Barnat, E V; Weatherford, B R; Sydorenko, D

    2013-08-16

    A one-dimensional kinetic theory of sheaths surrounding planar, electron-emitting surfaces is presented which accounts for plasma electrons lost to the surface and the temperature of the emitted electrons. It is shown that ratio of plasma electron temperature to emitted electron temperature significantly affects the sheath potential when the plasma electron temperature is within an order of magnitude of the emitted electron temperature. The sheath potential goes to zero as the plasma electron temperature equals the emitted electron temperature, which can occur in the afterglow of an rf plasma and some low-temperature plasma sources. These results were validated by particle in cell simulations. The theory was tested by making measurements of the sheath surrounding a thermionically emitting cathode in the afterglow of an rf plasma. The measured sheath potential shrunk to zero as the plasma electron temperature cooled to the emitted electron temperature, as predicted by the theory.

  20. Graph-based linear scaling electronic structure theory.

    Science.gov (United States)

    Niklasson, Anders M N; Mniszewski, Susan M; Negre, Christian F A; Cawkwell, Marc J; Swart, Pieter J; Mohd-Yusof, Jamal; Germann, Timothy C; Wall, Michael E; Bock, Nicolas; Rubensson, Emanuel H; Djidjev, Hristo

    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.

  1. Electronic Properties of Quantum Wire Networks

    OpenAIRE

    Kuzmenko, Igor

    2005-01-01

    Quantum wire networks (``quantum crossbars'', QCB) represent a 2D grid formed by superimposed crossing arrays of parallel conducting quantum wires, molecular chains or metallic single-wall carbon nanotubes. QCB coupled only by capacitive interaction in the crosses have similar low-energy, long-wave properties characterized as a crossed sliding Luttinger liquid (CSLL) phase. In this Thesis we develop a theory of interacting Bose excitations (plasmons) in QCB. We analyze spectrum of boson field...

  2. Game theory in communication networks cooperative resolution of interactive networking scenarios

    CERN Document Server

    Antoniou, Josephina

    2012-01-01

    A mathematical tool for scientists and researchers who work with computer and communication networks, Game Theory in Communication Networks: Cooperative Resolution of Interactive Networking Scenarios addresses the question of how to promote cooperative behavior in interactive situations between heterogeneous entities in communication networking scenarios. It explores network design and management from a theoretical perspective, using game theory and graph theory to analyze strategic situations and demonstrate profitable behaviors of the cooperative entities. The book promotes the use of Game T

  3. The Economics of Networks: theory and empirics

    NARCIS (Netherlands)

    M.J. van der Leij (Marco)

    2006-01-01

    textabstractWherever we are, networks are all around us. The roads that we travel form a network. The websites that we visit form an enormous information network. But, above all, we are part of a network ourselves, the network of social contacts and relations. These networks play an

  4. Ultra-large-scale electronic structure theory and numerical algorithm

    OpenAIRE

    Hoshi, Takeo

    2008-01-01

    This article is composed of two parts; In the first part (Sec. 1), the ultra-large-scale electronic structure theory is reviewed for (i) its fundamental numerical algorithm and (ii) its role in nano-material science. The second part (Sec. 2) is devoted to the mathematical foundation of the large-scale electronic structure theory and their numerical aspects.

  5. Teaching Valence Shell Electron Pair Repulsion (VSEPR) Theory

    Science.gov (United States)

    Talbot, Christopher; Neo, Choo Tong

    2013-01-01

    This "Science Note" looks at the way that the shapes of simple molecules can be explained in terms of the number of electron pairs in the valence shell of the central atom. This theory is formally known as valence shell electron pair repulsion (VSEPR) theory. The article explains the preferred shape of chlorine trifluoride (ClF3),…

  6. Networking of theories as a research practice in mathematics education

    CERN Document Server

    Bikner-Ahsbahs, Angelika

    2014-01-01

    How can we deal with the diversity of theories in mathematics education This was the main question that led the authors of this book to found the Networking Theories Group. Starting from the shared assumption that the existence of different theories is a resource for mathematics education research, the authors have explored the possibilities of interactions between theories, such as contrasting, coordinating, and locally integrating them. The book explains and illustrates what it means to network theories; it presents networking as a challenging but fruitful research practice and shows how the Group dealt with this challenge considering five theoretical approaches, namely the approach of Action, Production, and Communication (APC), the Theory of Didactical Situations (TDS), the Anthropological Theory of the Didactic (ATD), the approach of Abstraction in Context (AiC), and the Theory of Interest-Dense Situations (IDS). A synthetic presentation of each theory and their connections shows how the activity of netw...

  7. An introduction to the electron theory of solids

    CERN Document Server

    Stringer, John; Hopkins, D W; Finniston, H M

    2013-01-01

    An Introduction to the Electron Theory of Solids introduces the reader to the electron theory of solids. Topics covered range from the breakdown of classical theory to atomic spectra and the old quantum theory, as well as the uncertainty principle of Heisenberg and the foundations of quantum mechanics. Some problems in wave mechanics and a wave-mechanical treatment of the simple harmonic oscillator and the hydrogen atom are also presented.Comprised of 12 chapters, this book begins with an introduction to Isaac Newton's theory of classical mechanics and how the scientists after him discounted h

  8. Networking Carbon Nanotubes for Integrated Electronics.

    Science.gov (United States)

    Romo-Herrera, J. M.; Terrones, M.; Terrones, H.; Meunier, V.

    2006-03-01

    The unique electronic and mechanical properties of individual Carbon Nanotubes (CNTs) have attracted much interest as candidates for molecular electronic devices and reinforced materials. However, their integration in organized architectures remains a major challenge. Recent breakthroughs reported on the Self-Assembly of 1D Nanostructures[1], and on the coalescence mechanism for interconnecting CNTs[2], point to the possibility of designing and obtaining Ordered Networks based on CNTs (ON- CNTs). We propose a set with different complex architectures of ON- CNTs based on --but not limited to-- armchair and zigzag nanotubes. In addition to the study of the energetics of the structures, we have systematically investigated their electronic transport properties in the framework of the Landauer-Buttiker formalism and equilibrium Green functions. To take curvature into account, we employed a semi-empirical Hamiltonian based on 4 orbitals (s,px,py,pz) per carbon atom. Further insight is obtained analyzing the electron pathways from a scattering point of view, which allows a real-space analysis of the wave function from the transmitted electrons across the structure. [1]Whang D etal. Nanoletters,3 (2003). Tao A etal. Nanoletters,3 (2003). [2]Terrones M etal. PRL,89 (2002). Endo M etal. Nanoletters,5 (2005).

  9. How Might Better Network Theories Support School Leadership Research?

    Science.gov (United States)

    Hadfield, Mark; Jopling, Michael

    2012-01-01

    This article explores how recent research in education has applied different aspects of "network" theory to the study of school leadership. Constructs from different network theories are often used because of their perceived potential to clarify two perennial issues in leadership research. The first is the relative importance of formal and…

  10. Programmable synaptic chip for electronic neural networks

    Science.gov (United States)

    Moopenn, A.; Langenbacher, H.; Thakoor, A. P.; Khanna, S. K.

    1988-01-01

    A binary synaptic matrix chip has been developed for electronic neural networks. The matrix chip contains a programmable 32X32 array of 'long channel' NMOSFET binary connection elements implemented in a 3-micron bulk CMOS process. Since the neurons are kept off-chip, the synaptic chip serves as a 'cascadable' building block for a multi-chip synaptic network as large as 512X512 in size. As an alternative to the programmable NMOSFET (long channel) connection elements, tailored thin film resistors are deposited, in series with FET switches, on some CMOS test chips, to obtain the weak synaptic connections. Although deposition and patterning of the resistors require additional processing steps, they promise substantial savings in silicon area. The performance of synaptic chip in a 32-neuron breadboard system in an associative memory test application is discussed.

  11. Electronic Power Transformer for Power Distribution Networks

    Directory of Open Access Journals (Sweden)

    Ermuraсhi Iu.V.

    2017-12-01

    Full Text Available Reducing losses in electricity distribution networks is a current technical problem. This issue also has social and environmental aspects. As a promising solution one can examine the direct distribution from the medium voltage power network using new equipment based on the use of power electronics. The aim of the paper is to propose and argue an innovative technical solution for the realization of the Solid State Transformer (SST in order to decrease the number of energy transformation stages compared to the known solutions, simplifying the topology of the functional scheme with the reduction of production costs and the loss of energy in transformers used in electrical distribution networks. It is proposed the solution of simplifying the topology of the AC/AC electronic transformer by reducing the number of passive electronic components (resistors, inductors, capacitors and active (transistors. The inverter of the SST transformer ensures the switching mode of the transistors, using for this purpose the inductance of the magnetic leakage flux of the high frequency transformer. The robustness of the laboratory sample of the SST 10 / 0.22 kV transformer with the power of 20 kW was manufactured and tested. Testing of the laboratory sample confirmed the functionality of the proposed scheme and the possibility of switching of the transistors to at zero current (ZCS mode with the reduction of the energy losses. In the proposed converter a single high-frequency transformer with a simplified construction with two windings is used, which reduces its mass and the cost of making the transformer. The reduction in the manufacturing cost of the converter is also due to the decrease in the number of links between the functional elements.

  12. Understanding Social Networks: Theories, Concepts, and Findings

    Science.gov (United States)

    Kadushin, Charles

    2012-01-01

    Despite the swift spread of social network concepts and their applications and the rising use of network analysis in social science, there is no book that provides a thorough general introduction for the serious reader. "Understanding Social Networks" fills that gap by explaining the big ideas that underlie the social network phenomenon.…

  13. Network anomaly detection system with optimized DS evidence theory.

    Science.gov (United States)

    Liu, Yuan; Wang, Xiaofeng; Liu, Kaiyu

    2014-01-01

    Network anomaly detection has been focused on by more people with the fast development of computer network. Some researchers utilized fusion method and DS evidence theory to do network anomaly detection but with low performance, and they did not consider features of network-complicated and varied. To achieve high detection rate, we present a novel network anomaly detection system with optimized Dempster-Shafer evidence theory (ODS) and regression basic probability assignment (RBPA) function. In this model, we add weights for each sensor to optimize DS evidence theory according to its previous predict accuracy. And RBPA employs sensor's regression ability to address complex network. By four kinds of experiments, we find that our novel network anomaly detection model has a better detection rate, and RBPA as well as ODS optimization methods can improve system performance significantly.

  14. The Embedded Self: A Social Networks Approach to Identity Theory

    Science.gov (United States)

    Walker, Mark H.; Lynn, Freda B.

    2013-01-01

    Despite the fact that key sociological theories of self and identity view the self as fundamentally rooted in networks of interpersonal relationships, empirical research investigating how personal network structure influences the self is conspicuously lacking. To address this gap, we examine links between network structure and role identity…

  15. Orbital Models and Electronic Structure Theory

    DEFF Research Database (Denmark)

    Linderberg, Jan

    2012-01-01

    This tribute to the work by Carl Johan Ballhausen focuses on the emergence of quantitative means for the study of the electronic properties of complexes and molecules. Development, refinement and application of the orbital picture elucidated electric and magnetic features of ranges of molecules w...... when used for the interpretation of electronic transitions, electron spin resonance parameters, rotatory dispersion, nuclear quadrupole couplings as well as geometric bonding patterns. Ballhausen's profound impact on the field cannot be overestimated.......This tribute to the work by Carl Johan Ballhausen focuses on the emergence of quantitative means for the study of the electronic properties of complexes and molecules. Development, refinement and application of the orbital picture elucidated electric and magnetic features of ranges of molecules...

  16. Theory of interrelated electron and proton transfer processes

    DEFF Research Database (Denmark)

    Kuznetsov, A.M.; Ulstrup, Jens

    2003-01-01

    A simple theory of elementary act of interrelated reactions of electron and proton transfer is developed. Mechanisms of synchronous and multistage transfer and coherent transitions via a dynamically populated intermediate state are discussed. Formulas for rate constants of adiabatic and nonadiaba......A simple theory of elementary act of interrelated reactions of electron and proton transfer is developed. Mechanisms of synchronous and multistage transfer and coherent transitions via a dynamically populated intermediate state are discussed. Formulas for rate constants of adiabatic...

  17. Quantum theory of the electron liquid

    National Research Council Canada - National Science Library

    Giuliani, Gabriele; Vignale, Giovanni

    2005-01-01

    ... to the Wigner crystal, from the Luttinger liquid to the quantum Hall liquid, are extensively discussed. Both static and time-dependent density functional theory are presented in detail. Although the emphasis is on the development of the basic physical ideas and on a critical discussion of the most useful approximations, the formal derivation of the r...

  18. Adaptive Networks Theory, Models and Applications

    CERN Document Server

    Gross, Thilo

    2009-01-01

    With adaptive, complex networks, the evolution of the network topology and the dynamical processes on the network are equally important and often fundamentally entangled. Recent research has shown that such networks can exhibit a plethora of new phenomena which are ultimately required to describe many real-world networks. Some of those phenomena include robust self-organization towards dynamical criticality, formation of complex global topologies based on simple, local rules, and the spontaneous division of "labor" in which an initially homogenous population of network nodes self-organizes into functionally distinct classes. These are just a few. This book is a state-of-the-art survey of those unique networks. In it, leading researchers set out to define the future scope and direction of some of the most advanced developments in the vast field of complex network science and its applications.

  19. Robustness of complex networks : Theory and application

    NARCIS (Netherlands)

    Wang, X.

    2016-01-01

    Failures of networks, such as power outages in power systems, congestions in
    transportation networks, paralyse our daily life and introduce a tremendous cascading effect on our society. Networks should be constructed and operated in a robust way against random failures or deliberate

  20. Essays on Networks: Theory and Applications

    NARCIS (Netherlands)

    A.M. Babus (Ana Maria)

    2008-01-01

    textabstractNetworks have proven to be a useful representation of various systems. Social and economic interactions, biological and ecological systems, the internet can be understood better if modelled as networks. Intuitively, a network describes a collection of nodes and the links between them.

  1. Applied Hypergame Theory for Network Defense

    Science.gov (United States)

    2013-06-01

    themselves. The investigation of the competition between species has given rise to evolutionary game theory. Even evolutionary game theory itself has evolved...to be applied to economics, sociology, and anthropology [7]. Application of game theory principles can be used wherever there is a contest over...Murad Mehmet Bayraktar. “Game Theory and Intrusion Detection Systems”, 2006. ISA 767-Secure E-Commerce. [7] Alexander, J. McKenzie. “ Evolutionary

  2. Rival Theories of Newsreading in the Electronic Newspaper Arena.

    Science.gov (United States)

    Dozier, David M.

    Emerging videotex news services--systems for distributing textual information on television screens that permit direct competition with pulp newspapers--are presently rooted in a limited theory of newsreading. The first of two rival theories of newsreading applicable to electronic newspapers is "uses and gratifications" research--the…

  3. Application of random matrix theory to biological networks

    Energy Technology Data Exchange (ETDEWEB)

    Luo Feng [Department of Computer Science, Clemson University, 100 McAdams Hall, Clemson, SC 29634 (United States); Department of Pathology, U.T. Southwestern Medical Center, 5323 Harry Hines Blvd. Dallas, TX 75390-9072 (United States); Zhong Jianxin [Department of Physics, Xiangtan University, Hunan 411105 (China) and Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)]. E-mail: zhongjn@ornl.gov; Yang Yunfeng [Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Scheuermann, Richard H. [Department of Pathology, U.T. Southwestern Medical Center, 5323 Harry Hines Blvd. Dallas, TX 75390-9072 (United States); Zhou Jizhong [Department of Botany and Microbiology, University of Oklahoma, Norman, OK 73019 (United States) and Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)]. E-mail: zhouj@ornl.gov

    2006-09-25

    We show that spectral fluctuation of interaction matrices of a yeast protein-protein interaction network and a yeast metabolic network follows the description of the Gaussian orthogonal ensemble (GOE) of random matrix theory (RMT). Furthermore, we demonstrate that while the global biological networks evaluated belong to GOE, removal of interactions between constituents transitions the networks to systems of isolated modules described by the Poisson distribution. Our results indicate that although biological networks are very different from other complex systems at the molecular level, they display the same statistical properties at network scale. The transition point provides a new objective approach for the identification of functional modules.

  4. Quantum tunneling and field electron emission theories

    CERN Document Server

    Liang, Shi-Dong

    2013-01-01

    Quantum tunneling is an essential issue in quantum physics. Especially, the rapid development of nanotechnology in recent years promises a lot of applications in condensed matter physics, surface science and nanodevices, which are growing interests in fundamental issues, computational techniques and potential applications of quantum tunneling. The book involves two relevant topics. One is quantum tunneling theory in condensed matter physics, including the basic concepts and methods, especially for recent developments in mesoscopic physics and computational formulation. The second part is the f

  5. Multifrequency Electron Paramagnetic Resonance Theory and Applications

    CERN Document Server

    Misra, Sushil K

    2011-01-01

    Filling the gap for a systematic, authoritative, and up-to-date review of this cutting-edge technique, this book covers both low and high frequency EPR, emphasizing the importance of adopting the multifrequency approach to study paramagnetic systems in full detail by using the EPR method. In so doing, it discusses not only the underlying theory and applications, but also all recent advances -- with a final section devoted to future perspectives.

  6. Network analysis and synthesis a modern systems theory approach

    CERN Document Server

    Anderson, Brian D O

    2006-01-01

    Geared toward upper-level undergraduates and graduate students, this book offers a comprehensive look at linear network analysis and synthesis. It explores state-space synthesis as well as analysis, employing modern systems theory to unite the classical concepts of network theory. The authors stress passive networks but include material on active networks. They avoid topology in dealing with analysis problems and discuss computational techniques. The concepts of controllability, observability, and degree are emphasized in reviewing the state-variable description of linear systems. Explorations

  7. The theory of pattern formation on directed networks.

    Science.gov (United States)

    Asllani, Malbor; Challenger, Joseph D; Pavone, Francesco Saverio; Sacconi, Leonardo; Fanelli, Duccio

    2014-07-31

    Dynamical processes on networks have generated widespread interest in recent years. The theory of pattern formation in reaction-diffusion systems defined on symmetric networks has often been investigated, due to its applications in a wide range of disciplines. Here we extend the theory to the case of directed networks, which are found in a number of different fields, such as neuroscience, computer networks and traffic systems. Owing to the structure of the network Laplacian, the dispersion relation has both real and imaginary parts, at variance with the case for a symmetric, undirected network. The homogeneous fixed point can become unstable due to the topology of the network, resulting in a new class of instabilities, which cannot be induced on undirected graphs. Results from a linear stability analysis allow the instability region to be analytically traced. Numerical simulations show travelling waves, or quasi-stationary patterns, depending on the characteristics of the underlying graph.

  8. Theory of Electron-Ion Collisions

    Energy Technology Data Exchange (ETDEWEB)

    Griffin, Donald C

    2009-10-02

    Collisions of electrons with atoms and ions play a crucial role in the modeling and diagnostics of fusion plasmas. In the edge and divertor regions of magnetically confined plasmas, data for the collisions of electrons with neutral atoms and low charge-state ions are of particular importance, while in the inner region, data on highly ionized species are needed. Since experimental measurements for these collisional processes remain very limited, data for such processes depend primarily on the results of theoretical calculations. Over the period of the present grant (January 2006 - August 2009), we have made additional improvements in our parallel scattering programs, generated data of direct fusion interest and made these data available on The Controlled Fusion Atomic Data Center Web site at Oak Ridge National Laboratory. In addition, we have employed these data to do collsional-radiative modeling studies in support of a variety of experiments with magnetically confined fusion plasmas.

  9. Theory of Magnetization in Bloch Electron Systems

    Science.gov (United States)

    Ogata, Masao

    2017-04-01

    The exact formulas for magnetization and magnetic susceptibility are derived for Bloch electrons in terms of Bloch wave functions. They are extensions of the previous work to general cases where the spin-orbit interaction as well as the Zeeman term is included, the potential is noncentrosymmetric, and the time-reversal symmetry is broken. The obtained magnetization for Bloch electrons is a natural generalization of the free-electron magnetic moment including the effect of the spin-orbit interaction. The obtained susceptibility has six contributions and the physical meaning of each term is clarified. The new formula contains the Landau-Peierls, Pauli, and Van Vleck susceptibilities, the atomic diamagnetism, and contributions from the "Berry curvature". In the atomic limit, the obtained formula reduces to two contributions: the atomic diamagnetism and a generalized form of the Van Vleck susceptibility modified by the spin-orbit interaction. It is also found that, in general cases, the Pauli, Van Vleck (interband), and Berry curvature susceptibilities are closely related to common magnetization matrix elements, which is in sharp contrast to previous studies. A general form of the off-diagonal magnetic susceptibility is also derived.

  10. Theory of Dirac Electrons in Organic Conductors

    Directory of Open Access Journals (Sweden)

    Akito Kobayashi

    2012-04-01

    Full Text Available The dynamical property of electrons with the tilted Dirac cone was examined using the tilted Weyl equation. The polarization function exhibits cusps and nonmonotonic structures by varying both the frequency and the momentum. A pair of tilted Dirac cones exhibits a new plasmon for the intermediate magnitude of momentum owing to the combined effects of two tilted cones. Dirac electrons with the zero-gap state (ZGS in organic conductor α-(BEDT-TTF2I3 are examined by calculating the Berry curvature, which displays the peak structure for a pair of Dirac particles between the conduction band and the valence band. The ZGS is theoretically predicted for α-(BEDT-TTF2NH4Hg(SCN4 under uniaxial pressure. Examining the band structure of the stripe charge ordered state of α-(BEDT-TTF2I3 under pressure, we have found a topological transition from a conventional insulator to a new phase of a pair of Dirac electrons with a finite mass. Further, investigating the zero-energy (N = 0 Landau level under a strong magnetic field, we propose ferromagnetism breaking the SU(2 valley-pseudo-spin symmetry, and the phase fluctuations of the order parameters leading to Kosterlitz-Thouless transition at lower temperatures.

  11. The cooperative game theory of networks and hierarchies

    CERN Document Server

    Gilles, Robert P

    2010-01-01

    This book details standard concepts in cooperative game theory with applications to the analysis of social networks and hierarchical authority organizations. It covers the multi-linear extension, the Core, the Shapley value, and the cooperative potential.

  12. Ad hoc networks telecommunications and game theory

    CERN Document Server

    Benslama, Malek; Batatia, Hadj

    2015-01-01

    Random SALOHA and CSMA protocols that are used to access MAC in ad hoc networks are very small compared to the multiple and spontaneous use of the transmission channel. So they have low immunity to the problems of packet collisions. Indeed, the transmission time is the critical factor in the operation of such networks. The simulations demonstrate the positive impact of erasure codes on the throughput of the transmission in ad hoc networks. However, the network still suffers from the intermittency and volatility of its efficiency throughout its operation, and it switches quickly to the satura

  13. Control theory of digitally networked dynamic systems

    CERN Document Server

    Lunze, Jan

    2013-01-01

    The book gives an introduction to networked control systems and describes new modeling paradigms, analysis methods for event-driven, digitally networked systems, and design methods for distributed estimation and control. Networked model predictive control is developed as a means to tolerate time delays and packet loss brought about by the communication network. In event-based control the traditional periodic sampling is replaced by state-dependent triggering schemes. Novel methods for multi-agent systems ensure complete or clustered synchrony of agents with identical or with individual dynamic

  14. Brain and cognitive reserve: Translation via network control theory.

    Science.gov (United States)

    Medaglia, John Dominic; Pasqualetti, Fabio; Hamilton, Roy H; Thompson-Schill, Sharon L; Bassett, Danielle S

    2017-04-01

    Traditional approaches to understanding the brain's resilience to neuropathology have identified neurophysiological variables, often described as brain or cognitive "reserve," associated with better outcomes. However, mechanisms of function and resilience in large-scale brain networks remain poorly understood. Dynamic network theory may provide a basis for substantive advances in understanding functional resilience in the human brain. In this perspective, we describe recent theoretical approaches from network control theory as a framework for investigating network level mechanisms underlying cognitive function and the dynamics of neuroplasticity in the human brain. We describe the theoretical opportunities offered by the application of network control theory at the level of the human connectome to understand cognitive resilience and inform translational intervention. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

  15. Linnett Double Quartet Theory, Challenging the Pairing Electrons

    Directory of Open Access Journals (Sweden)

    Yeganeh Khaniani

    2009-01-01

    Full Text Available Linnett proposed his theory 45 years after Lewis's supposition. During these years Pauling, Mulliken and Hund made different molecular structure models based on valance bond and molecular orbital theory. Their theories were seemed to fit many experiences but had some inabilities. Linnett's double quartet theory could solved some important problems about stability of radicals, paramagnetism / diamagnetism in molecular systems, electronic structure in transition states and finally challenge of resonance and aromaticity. In this article we review some basic ideas and concepts concerning different models and then we give a detailed discussion of the LDQ and use it in diverse branches of chemistry.

  16. A preliminary theory of dark network resilience

    NARCIS (Netherlands)

    Bakker, R.M.; Raab, J.; Milward, H.B.

    2012-01-01

    A crucial contemporary policy question for governments across the globe is how to cope with international crime and terrorist networks. Many such “dark” networks—that is, networks that operate covertly and illegally—display a remarkable level of resilience when faced with shocks and attacks. Based

  17. Analytic gradients in electronic structure theory

    Science.gov (United States)

    Shroll, Robert Marvin

    1997-10-01

    The energy gradients for the Hartree Fock ground state, Dirac-Hartree-Fock ground state, singles-only configuration interaction approximation to the first singlet excited state, and a set of restricted singles- only configuration interaction equations are presented. Algebraic approximations will be used in all of these state energy equation derivations. This leads us to a commonality between the various methods which is the need to calculate gradients with respect to basis set expansion coefficients. For the non-relativistic correlated energy states, these coefficient derivatives will be determined using Coupled Perturbed Hartree Fock (CPHF) theory. For the relativistic case, an analogous set of equations are presented which have been called the Coupled Perturbed Dirac-Hartree-Fock (CPDHF) equations.

  18. Application of Random Matrix Theory to Complex Networks

    Science.gov (United States)

    Rai, Aparna; Jalan, Sarika

    The present article provides an overview of recent developments in spectral analysis of complex networks under random matrix theory framework. Adjacency matrix of unweighted networks, reviewed here, differ drastically from a random matrix, as former have only binary entries. Remarkably, short range correlations in corresponding eigenvalues of such matrices exhibit Gaussian orthogonal statistics of RMT and thus bring them into the universality class. Spectral rigidity of spectra provides measure of randomness in underlying networks. We will consider several examples of model networks vastly studied in last two decades. To the end we would provide potential of RMT framework and obtained results to understand and predict behavior of complex systems with underlying network structure.

  19. Liquid-state polaron theory of the hydrated electron revisited.

    Science.gov (United States)

    Donley, James P; Heine, David R; Tormey, Caleb A; Wu, David T

    2014-07-14

    The quantum path integral/classical liquid-state theory of Chandler and co-workers, created to describe an excess electron in solvent, is re-examined for the hydrated electron. The portion that models electron-water density correlations is replaced by two equations: the range optimized random phase approximation (RO-RPA), and the Donley, Rajasekaran, and Liu (DRL) approximation to the "two-chain" equation, both shown previously to describe accurately the static structure and thermodynamics of strongly charged polyelectrolyte solutions. The static equilibrium properties of the hydrated electron are analyzed using five different electron-water pseudopotentials. The theory is then compared with data from mixed quantum/classical Monte Carlo and molecular dynamics simulations using these same pseudopotentials. It is found that the predictions of the RO-RPA and DRL-based polaron theories are similar and improve upon previous theory, with values for almost all properties analyzed in reasonable quantitative agreement with the available simulation data. Also, it is found using the Larsen, Glover, and Schwartz pseudopotential that the theories give values for the solvation free energy that are at least three times larger than that from experiment.

  20. Social Capital Theory: Implications for Women's Networking and Learning

    Science.gov (United States)

    Alfred, Mary V.

    2009-01-01

    This chapter describes social capital theory as a framework for exploring women's networking and social capital resources. It presents the foundational assumptions of the theory, the benefits and risks of social capital engagement, a feminist critique of social capital, and the role of social capital in adult learning.

  1. Integrated Adversarial Network Theory (iANT)

    Science.gov (United States)

    2011-07-01

    in Language : A Semiotic Approach to Literature and Art. New York: Columbia University Press Kumbasar, E., Romney, K. A., & Batchelder, W. H. 1994...threat Mimetic Processes E.g., imitation, theft Osmotic Processes E.g., language acquisition, schemas Table 3: Mechanisms/processes cross-classified...level ofthe specific theories ofSWT and SH, it should be obvious that Burt’s theory is closely related to Granovetter’s. In Burt’s language , A has more

  2. Network meta-analysis, electrical networks and graph theory.

    Science.gov (United States)

    Rücker, Gerta

    2012-12-01

    Network meta-analysis is an active field of research in clinical biostatistics. It aims to combine information from all randomized comparisons among a set of treatments for a given medical condition. We show how graph-theoretical methods can be applied to network meta-analysis. A meta-analytic graph consists of vertices (treatments) and edges (randomized comparisons). We illustrate the correspondence between meta-analytic networks and electrical networks, where variance corresponds to resistance, treatment effects to voltage, and weighted treatment effects to current flows. Based thereon, we then show that graph-theoretical methods that have been routinely applied to electrical networks also work well in network meta-analysis. In more detail, the resulting consistent treatment effects induced in the edges can be estimated via the Moore-Penrose pseudoinverse of the Laplacian matrix. Moreover, the variances of the treatment effects are estimated in analogy to electrical effective resistances. It is shown that this method, being computationally simple, leads to the usual fixed effect model estimate when applied to pairwise meta-analysis and is consistent with published results when applied to network meta-analysis examples from the literature. Moreover, problems of heterogeneity and inconsistency, random effects modeling and including multi-armed trials are addressed. Copyright © 2012 John Wiley & Sons, Ltd. Copyright © 2012 John Wiley & Sons, Ltd.

  3. Perspective: Explicitly correlated electronic structure theory for complex systems.

    Science.gov (United States)

    Grüneis, Andreas; Hirata, So; Ohnishi, Yu-Ya; Ten-No, Seiichiro

    2017-02-28

    The explicitly correlated approach is one of the most important breakthroughs in ab initio electronic structure theory, providing arguably the most compact, accurate, and efficient ansatz for describing the correlated motion of electrons. Since Hylleraas first used an explicitly correlated wave function for the He atom in 1929, numerous attempts have been made to tackle the significant challenges involved in constructing practical explicitly correlated methods that are applicable to larger systems. These include identifying suitable mathematical forms of a correlated wave function and an efficient evaluation of many-electron integrals. R12 theory, which employs the resolution of the identity approximation, emerged in 1985, followed by the introduction of novel correlation factors and wave function ansätze, leading to the establishment of F12 theory in the 2000s. Rapid progress in recent years has significantly extended the application range of explicitly correlated theory, offering the potential of an accurate wave-function treatment of complex systems such as photosystems and semiconductors. This perspective surveys explicitly correlated electronic structure theory, with an emphasis on recent stochastic and deterministic approaches that hold significant promise for applications to large and complex systems including solids.

  4. A Practical Theory of Micro-Solar Power Sensor Networks

    Science.gov (United States)

    2009-04-20

    Pavan Sikka, Tim Wark, and Les Overs. Long-duration solar-powered wireless sensor networks. The Fourth IEEE workshop on Embedded Networked Sensors (EmNets...node. International Symposium on Low Power Electronics and Design (ISLPED ‘06), October 2006. [SCV+06] Pavan Sikka, Peter Corke, Philip Valencia

  5. One-Electron Theory of Metals. Cohesive and Structural Properties

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt

    by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...... metals, and the localization of 3d, 4f, and 5f electrons in the 3d metal monoxides, the light lanthanides, and the actinides, respectively, as well as the cohesive properties of metals in general.!......The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...

  6. Optimal transportation networks models and theory

    CERN Document Server

    Bernot, Marc; Morel, Jean-Michel

    2009-01-01

    The transportation problem can be formalized as the problem of finding the optimal way to transport a given measure into another with the same mass. In contrast to the Monge-Kantorovitch problem, recent approaches model the branched structure of such supply networks as minima of an energy functional whose essential feature is to favour wide roads. Such a branched structure is observable in ground transportation networks, in draining and irrigation systems, in electrical power supply systems and in natural counterparts such as blood vessels or the branches of trees. These lectures provide mathematical proof of several existence, structure and regularity properties empirically observed in transportation networks. The link with previous discrete physical models of irrigation and erosion models in geomorphology and with discrete telecommunication and transportation models is discussed. It will be mathematically proven that the majority fit in the simple model sketched in this volume.

  7. Modeling acquaintance networks based on balance theory

    Directory of Open Access Journals (Sweden)

    Vukašinović Vida

    2014-09-01

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

  8. On the genesis of the idiotypic network theory.

    Science.gov (United States)

    Civello, Andrea

    2013-01-01

    The idiotypic network theory (INT) was conceived by the Danish immunologist Niels Kaj Jerne in 1973/1974. It proposes an overall view of the immune system as a network of lymphocytes and antibodies. The paper tries to offer a reconstruction of the genesis of the theory, now generally discarded and of mostly historical interest, first of all, by taking into account the context in which Jerne's theoretical proposal was advanced. It is argued the theory challenged, in a sense, the supremacy of the clonal selection theory (CST), this being regarded as the predominant paradigm in the immunological scenario. As CST found shortcomings in explaining certain phenomena, anomalies, one could view INT as a competing paradigm claiming to be able to make sense of such phenomena in its own conceptual framework. After a summary outline of the historical background and some relevant terminological elucidations, a narrative of the various phases of elaboration of the theory is proposed, up to its official public presentation.

  9. Building next-generation converged networks theory and practice

    CERN Document Server

    Pathan, Al-Sakib Khan

    2013-01-01

    Supplying a comprehensive introduction to next-generation networks, Building Next-Generation Converged Networks: Theory and Practice strikes a balance between how and why things work and how to make them work. It compiles recent advancements along with basic issues from the wide range of fields related to next generation networks. Containing the contributions of 56 industry experts and researchers from 16 different countries, the book presents relevant theoretical frameworks and the latest research. It investigates new technologies such as IPv6 over Low Power Wireless Personal Area Network (6L

  10. Realizing Wisdom Theory in Complex Learning Networks

    Science.gov (United States)

    Kok, Ayse

    2009-01-01

    The word "wisdom" is rarely seen in contemporary technology and learning discourse. This conceptual paper aims to provide some clear principles that answer the question: How can we establish wisdom in complex learning networks? By considering the nature of contemporary calls for wisdom the paper provides a metatheoretial framework to evaluate the…

  11. Neural networks, penalty logic and optimality theory

    NARCIS (Netherlands)

    Blutner, R.; Benz, A.; Blutner, R.

    2009-01-01

    Ever since the discovery of neural networks, there has been a controversy between two modes of information processing. On the one hand, symbolic systems have proven indispensable for our understanding of higher intelligence, especially when cognitive domains like language and reasoning are examined.

  12. Pathways, Networks, and Systems: Theory and Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Joseph H. Nadeau; John D. Lambris

    2004-10-30

    The international conference provided a unique opportunity for theoreticians and experimenters to exchange ideas, strategies, problems, challenges, language and opportunities in both formal and informal settings. This dialog is an important step towards developing a deep and effective integration of theory and experiments in studies of systems biology in humans and model organisms.

  13. Transport Theory for Kinetic Emission of Secondary Electrons from Solids

    DEFF Research Database (Denmark)

    Schou, Jørgen

    1980-01-01

    . These quantities are determined from the solutions to a system of Boltzmann transport equations. Input quantities are the cross sections for collisions between the involved particles and the surface barrier of the target. A general power cross section has been utilized in the analytical procedure. It is shown......Kinetic secondary electron emission from a solid target resulting from incidence of keV electrons or keV and MeV ions is treated theoretically on the basis of ionization cascade theory. The energy and angular distribution and the yield of secondary electrons are calculated for a random target...

  14. Theory of coherent molecule to surface electron injection: An ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 121; Issue 5. Theory of coherent molecule to surface electron injection: An analytical model ... Using a quasicontinuum approach to model the substrate, analytical expressions pertaining to the time-dependent probability among the various levels of the substrate is ...

  15. Cognitive Radio Networks From Theory to Practice

    CERN Document Server

    Khattab, Ahmed; Bayoumi, Magdy

    2013-01-01

    This book describes a communication paradigm that could shape the future of wireless communication networks, Opportunistic Spectrum Access (OSA) in Cognitive Radio Networks (CRN).  While several theoretical OSA approaches have been proposed, they are challenged by the practical limitations of cognitive radios: the key enabling technology of OSA.  This book presents an unprecedented formulation of the OSA problem in CNR that takes into account the practical limitations encountered due to existing technologies. Based on such a problem formulation, this book presents a framework and protocol details implementing the analytically-optimized solution of this problem. Unlike the state-of-the-art of CRN implementations that typically target software define radios which are not suitable for real systems, this book describes the implementation of distributed OSA, using practical radio transceiver technologies. It provides a thorough characterization of the gains available to theoretical OSA approaches if the practica...

  16. Biological impacts and context of network theory

    Energy Technology Data Exchange (ETDEWEB)

    Almaas, E

    2007-01-05

    Many complex systems can be represented and analyzed as networks, and examples that have benefited from this approach span the natural sciences. For instance, we now know that systems as disparate as the World-Wide Web, the Internet, scientific collaborations, food webs, protein interactions and metabolism all have common features in their organization, the most salient of which are their scale-free connectivity distributions and their small-world behavior. The recent availability of large scale datasets that span the proteome or metabolome of an organism have made it possible to elucidate some of the organizational principles and rules that govern their function, robustness and evolution. We expect that combining the currently separate layers of information from gene regulatory-, signal transduction-, protein interaction- and metabolic networks will dramatically enhance our understanding of cellular function and dynamics.

  17. Information theory and the ethylene genetic network.

    Science.gov (United States)

    González-García, José S; Díaz, José

    2011-10-01

    The original aim of the Information Theory (IT) was to solve a purely technical problem: to increase the performance of communication systems, which are constantly affected by interferences that diminish the quality of the transmitted information. That is, the theory deals only with the problem of transmitting with the maximal precision the symbols constituting a message. In Shannon's theory messages are characterized only by their probabilities, regardless of their value or meaning. As for its present day status, it is generally acknowledged that Information Theory has solid mathematical foundations and has fruitful strong links with Physics in both theoretical and experimental areas. However, many applications of Information Theory to Biology are limited to using it as a technical tool to analyze biopolymers, such as DNA, RNA or protein sequences. The main point of discussion about the applicability of IT to explain the information flow in biological systems is that in a classic communication channel, the symbols that conform the coded message are transmitted one by one in an independent form through a noisy communication channel, and noise can alter each of the symbols, distorting the message; in contrast, in a genetic communication channel the coded messages are not transmitted in the form of symbols but signaling cascades transmit them. Consequently, the information flow from the emitter to the effector is due to a series of coupled physicochemical processes that must ensure the accurate transmission of the message. In this review we discussed a novel proposal to overcome this difficulty, which consists of the modeling of gene expression with a stochastic approach that allows Shannon entropy (H) to be directly used to measure the amount of uncertainty that the genetic machinery has in relation to the correct decoding of a message transmitted into the nucleus by a signaling pathway. From the value of H we can define a function I that measures the amount of

  18. Effects of Actor-Network Theory in Accounting Research

    DEFF Research Database (Denmark)

    Justesen, Lise Nederland; Mouritsen, Jan

    2011-01-01

    of a critical literature review and discussion. Findings – Since the early 1990s, actor-network theory, particularly the work of Bruno Latour, has inspired accounting researchers and led to a number of innovative studies of accounting phenomena. In particular, Latour's book, Science in Action, has been...... number of accounting papers that apply actor-network theory. A different sample might have given a somewhat different picture. Furthermore, it focuses on the influence of Latour's work and refrains from discussing how the writings of Michel Callon, John Law or other thinkers within the actor......Purpose – This paper aims to discuss how Bruno Latour's version of actor-network theory has influenced accounting research. It also seeks to show that Latour's writings contain unexplored potential that may inspire future accounting research. Design/methodology/approach – The paper takes the form...

  19. Simulating activation propagation in social networks using the graph theory

    Directory of Open Access Journals (Sweden)

    František Dařena

    2010-01-01

    Full Text Available The social-network formation and analysis is nowadays one of objects that are in a focus of intensive research. The objective of the paper is to suggest the perspective of representing social networks as graphs, with the application of the graph theory to problems connected with studying the network-like structures and to study spreading activation algorithm for reasons of analyzing these structures. The paper presents the process of modeling multidimensional networks by means of directed graphs with several characteristics. The paper also demonstrates using Spreading Activation algorithm as a good method for analyzing multidimensional network with the main focus on recommender systems. The experiments showed that the choice of parameters of the algorithm is crucial, that some kind of constraint should be included and that the algorithm is able to provide a stable environment for simulations with networks.

  20. Parallel Distributed Processing Theory in the Age of Deep Networks.

    Science.gov (United States)

    Bowers, Jeffrey S

    2017-12-01

    Parallel distributed processing (PDP) models in psychology are the precursors of deep networks used in computer science. However, only PDP models are associated with two core psychological claims, namely that all knowledge is coded in a distributed format and cognition is mediated by non-symbolic computations. These claims have long been debated in cognitive science, and recent work with deep networks speaks to this debate. Specifically, single-unit recordings show that deep networks learn units that respond selectively to meaningful categories, and researchers are finding that deep networks need to be supplemented with symbolic systems to perform some tasks. Given the close links between PDP and deep networks, it is surprising that research with deep networks is challenging PDP theory. Copyright © 2017. Published by Elsevier Ltd.

  1. Theory of molecular nonadiabatic electron dynamics in condensed phases

    Science.gov (United States)

    Takatsuka, Kazuo

    2017-11-01

    In light of the rapid progress of ultrafast chemical dynamics driven by the pulse lasers having width as short as several tens of attoseconds, we herein develop a theory of nonadiabatic electron wavepacket dynamics in condensed phases, with which to directly track the dynamics of electronic-state mixing such as electron transfer in liquid solvents. Toward this goal, we combine a theory of path-branching representation for nonadiabatic electron wavepacket dynamics in vacuum {a mixed quantum-classical representation, Yonehara and Takatsuka [J. Chem. Phys. 129, 134109 (2008)]} and a theory of entropy functional to treat chemical dynamics in condensed phases {a mixed dynamical-statistical representation, Takatsuka and Matsumoto [Phys. Chem. Chem. Phys. 18, 1771 (2016)]}. Difficulty and complexity in the present theoretical procedure arise in embedding the Schrödinger equation into classically treated statistical environment. Nevertheless, the resultant equations of motion for electronic-state mixing due to the intrinsic nonadiabatic interactions and solute-solvent interactions, along with the force matrix that drives nuclear branching paths, both turn out to be clear enough to make it possible to comprehend the physical meanings behind. We also discuss briefly the nonvalidness of naive application of the notion of nonadiabatic transition dynamics among free energy surfaces.

  2. Field theory of the spinning electron: I - Internal motions

    Energy Technology Data Exchange (ETDEWEB)

    Salesi, Giovanni [Universita Statale di Catania (Italy). Dipt. di Fisica; Recami, Erasmo [Universita Statale di Bergamo, Dalmine, BG (Italy). Facolta di Ingegneria]|[Universidade Estadual de Campinas, SP (Brazil). Dept. de Matematica Aplicada

    1994-05-01

    One of the most satisfactory picture of spinning particles is the Barut-Zanghi (BZ) classical theory for the relativistic electron, that relates the electron spin with the so-called Zitterbewegung (zbw). The BZ theory has been recently studied in the Lagrangian and Hamiltonian symplectic formulations, both in flat and in curved space-time. The BZ motion equations constituted the starting point for two recent works about spin and electron structure, co-authored by us, which adopted the Clifford algebra formalism. In this letter, by employing on the contrary the ordinary tensorial language, we first write down a meaningful (real) equation of motion, describing particle classical paths, quite different from the corresponding (complex) equation of the standard Dirac theory. As a consequence, we succeed in regarding the electron as an extended-type object with a classically intelligible structure (thus overcoming some long-standing, well-known problems). Second, we make explicit the kinematical properties of the 4-velocity field v{sup {mu}}, which also result to be quite different from the ordinary ones, valid for scalar particles. At last, we analyze the inner zbw motions, both time-like and light-like, as functions of the initial conditions (in particular, for the case of classical uniform motions, the z component of spin s is shown to be quantized). In so doing, we make explicit the strict correlation existing between electron polarization and zbw kinematics. (author). 9 refs.

  3. Variational methods in electron-atom scattering theory

    CERN Document Server

    Nesbet, Robert K

    1980-01-01

    The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low­ energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Cha...

  4. Theory of neutron scattering by electrons in magnetic materials

    Science.gov (United States)

    Lovesey, S. W.

    2015-10-01

    A theory of neutron scattering by magnetic materials is reviewed with emphasis on the use of electronic multipoles that have universal appeal, because they are amenable to calculation and appear in theories of many other experimental techniques. The conventional theory of magnetic neutron scattering, which dates back to Schwinger (1937 Phys. Rev. 51 544) and Trammell (1953 Phys. Rev. 92 1387), yields an approximation for the scattering amplitude in terms of magnetic dipoles formed with the spin (S) and orbital angular momentum (L) of valence electrons. The so-called dipole-approximation has been widely adopted by researchers during the past few decades that has seen neutron scattering develop to its present status as the method of choice for investigations of magnetic structure and excitations. Looking beyond the dipole-approximation, however, reveals a wealth of additional information about electronic degrees of freedom conveniently encapsulated in magnetic multipoles. In this language, the dipole-approximation retains electronic axial dipoles, S and L. At the same level of approximation are polar dipoles—called anapoles or toroidal dipoles—allowed in the absence of a centre of inversion symmetry. Anapoles are examples of magneto-electric multipoles, time-odd and parity-odd irreducible tensors, that have come to the fore as signatures of electronic complexity in materials.

  5. Theory of molecular nonadiabatic electron dynamics in condensed phases.

    Science.gov (United States)

    Takatsuka, Kazuo

    2017-11-07

    In light of the rapid progress of ultrafast chemical dynamics driven by the pulse lasers having width as short as several tens of attoseconds, we herein develop a theory of nonadiabatic electron wavepacket dynamics in condensed phases, with which to directly track the dynamics of electronic-state mixing such as electron transfer in liquid solvents. Toward this goal, we combine a theory of path-branching representation for nonadiabatic electron wavepacket dynamics in vacuum {a mixed quantum-classical representation, Yonehara and Takatsuka [J. Chem. Phys. 129, 134109 (2008)]} and a theory of entropy functional to treat chemical dynamics in condensed phases {a mixed dynamical-statistical representation, Takatsuka and Matsumoto [Phys. Chem. Chem. Phys. 18, 1771 (2016)]}. Difficulty and complexity in the present theoretical procedure arise in embedding the Schrödinger equation into classically treated statistical environment. Nevertheless, the resultant equations of motion for electronic-state mixing due to the intrinsic nonadiabatic interactions and solute-solvent interactions, along with the force matrix that drives nuclear branching paths, both turn out to be clear enough to make it possible to comprehend the physical meanings behind. We also discuss briefly the nonvalidness of naive application of the notion of nonadiabatic transition dynamics among free energy surfaces.

  6. Socio-Psychological Factors in Electronic Networking.

    Science.gov (United States)

    Boshier, Roger

    1990-01-01

    This paper analyzes electronic mail and its role in adult education, identifies research on the educational implications of electronic mail, and discusses theoretical issues from an economic, psychological, and sociological perspective. (SK)

  7. A network analysis of leadership theory : the infancy of integration.

    OpenAIRE

    Meuser, J. D.; Gardner, W. L.; Dinh, J. E.; Hu, J.; Liden, R. C.; Lord, R. G.

    2016-01-01

    We investigated the status of leadership theory integration by reviewing 14 years of published research (2000 through 2013) in 10 top journals (864 articles). The authors of these articles examined 49 leadership approaches/theories, and in 293 articles, 3 or more of these leadership approaches were included in their investigations. Focusing on these articles that reflected relatively extensive integration, we applied an inductive approach and used graphic network analysis as a guide for drawi...

  8. Workshop on Thermal Field Theory to Neural Networks

    CERN Document Server

    Veneziano, Gabriele; Aurenche, Patrick

    1996-01-01

    Tanguy Altherr was a Fellow in the Theory Division at CERN, on leave from LAPP (CNRS) Annecy. At the time of his accidental death in July 1994, he was only 31.A meeting was organized at CERN, covering the various aspects of his scientific interests: thermal field theory and its applications to hot or dense media, neural networks and its applications to high energy data analysis. Speakers were among his closest collaborators and friends.

  9. Electron-phonon coupling using many-body GW theory

    Science.gov (United States)

    Monserrat, Bartomeu; Vanderbilt, David

    Electron-phonon coupling drives a plethora of phenomena, such as superconductivity in metals, or the temperature dependence of optical properties in semiconductors. There is increasing evidence that semi-local density functional theory (DFT) is not adequate for the description of electron-phonon coupling, and instead effects such as electronic correlation need to be included. Unfortunately, methods beyond semi-local DFT are computationally demanding, limiting the study of these phenomena. In this talk we will introduce the idea of ``thermal lines'', which can be used to explore the vibrational phase space of solids and molecules at small computational cost. In particular, we will describe how thermal lines can be exploited to calculate the temperature dependence of band structures beyond semi-local DFT, by using many-body GW theory, or by including the effects of spin-orbit coupling. We will present first-principles results showing the effects of electron correlation on the strength of electron-phonon coupling, and the effects of electron-phonon coupling on topological states of matter. Supported by Robinson College, Cambridge, and the Cambridge Philosophical Society.

  10. Social Network Theory in Engineering Education

    Science.gov (United States)

    Simon, Peter A.

    Collaborative groups are important both in the learning environment of engineering education and, in the real world, the business of engineering design. Selecting appropriate individuals to form an effective group and monitoring a group's progress are important aspects of successful task performance. This exploratory study looked at using the concepts of cognitive social structures, structural balance, and centrality from social network analysis as well as the measures of emotional intelligence. The concepts were used to analyze potential team members to examine if an individual's ability to perceive emotion in others and the self and to use, understand, and manage those emotions are a factor in a group's performance. The students from a capstone design course in computer engineering were used as volunteer subjects. They were formed into groups and assigned a design exercise to determine whether and which of the above-mentioned tools would be effective in both selecting teams and predicting the quality of the resultant design. The results were inconclusive with the exception of an individual's ability to accurately perceive emotions. The instruments that were successful were the Self-Monitoring scale and the accuracy scores derived from cognitive social structures and Level IV of network levels of analysis.

  11. Graph theory network function in Parkinson's disease assessed with electroencephalography.

    Science.gov (United States)

    Utianski, Rene L; Caviness, John N; van Straaten, Elisabeth C W; Beach, Thomas G; Dugger, Brittany N; Shill, Holly A; Driver-Dunckley, Erika D; Sabbagh, Marwan N; Mehta, Shyamal; Adler, Charles H; Hentz, Joseph G

    2016-05-01

    To determine what differences exist in graph theory network measures derived from electroencephalography (EEG), between Parkinson's disease (PD) patients who are cognitively normal (PD-CN) and matched healthy controls; and between PD-CN and PD dementia (PD-D). EEG recordings were analyzed via graph theory network analysis to quantify changes in global efficiency and local integration. This included minimal spanning tree analysis. T-tests and correlations were used to assess differences between groups and assess the relationship with cognitive performance. Network measures showed increased local integration across all frequency bands between control and PD-CN; in contrast, decreased local integration occurred in PD-D when compared to PD-CN in the alpha1 frequency band. Differences found in PD-MCI mirrored PD-D. Correlations were found between network measures and assessments of global cognitive performance in PD. Our results reveal distinct patterns of band and network measure type alteration and breakdown for PD, as well as with cognitive decline in PD. These patterns suggest specific ways that interaction between cortical areas becomes abnormal and contributes to PD symptoms at various stages. Graph theory analysis by EEG suggests that network alteration and breakdown are robust attributes of PD cortical dysfunction pathophysiology. Copyright © 2016 International Federation of Clinical Neurophysiology. Published by Elsevier Ireland Ltd. All rights reserved.

  12. Complex network theory, streamflow, and hydrometric monitoring system design

    Science.gov (United States)

    Halverson, M. J.; Fleming, S. W.

    2015-07-01

    Network theory is applied to an array of streamflow gauges located in the Coast Mountains of British Columbia (BC) and Yukon, Canada. The goal of the analysis is to assess whether insights from this branch of mathematical graph theory can be meaningfully applied to hydrometric data, and, more specifically, whether it may help guide decisions concerning stream gauge placement so that the full complexity of the regional hydrology is efficiently captured. The streamflow data, when represented as a complex network, have a global clustering coefficient and average shortest path length consistent with small-world networks, which are a class of stable and efficient networks common in nature, but the observed degree distribution did not clearly indicate a scale-free network. Stability helps ensure that the network is robust to the loss of nodes; in the context of a streamflow network, stability is interpreted as insensitivity to station removal at random. Community structure is also evident in the streamflow network. A network theoretic community detection algorithm identified separate communities, each of which appears to be defined by the combination of its median seasonal flow regime (pluvial, nival, hybrid, or glacial, which in this region in turn mainly reflects basin elevation) and geographic proximity to other communities (reflecting shared or different daily meteorological forcing). Furthermore, betweenness analyses suggest a handful of key stations which serve as bridges between communities and might be highly valued. We propose that an idealized sampling network should sample high-betweenness stations, small-membership communities which are by definition rare or undersampled relative to other communities, and index stations having large numbers of intracommunity links, while retaining some degree of redundancy to maintain network robustness.

  13. Realistic theory of electronic correlations in nanoscopic systems

    Science.gov (United States)

    Schüler, Malte; Barthel, Stefan; Wehling, Tim; Karolak, Michael; Valli, Angelo; Sangiovanni, Giorgio

    2017-07-01

    Nanostructures with open shell transition metal or molecular constituents host often strong electronic correlations and are highly sensitive to atomistic material details. This tutorial review discusses method developments and applications of theoretical approaches for the realistic description of the electronic and magnetic properties of nanostructures with correlated electrons. First, the implementation of a flexible interface between density functional theory and a variant of dynamical mean field theory (DMFT) highly suitable for the simulation of complex correlated structures is explained and illustrated. On the DMFT side, this interface is largely based on recent developments of quantum Monte Carlo and exact diagonalization techniques allowing for efficient descriptions of general four fermion Coulomb interactions, reduced symmetries and spin-orbit coupling, which are explained here. With the examples of the Cr (001) surfaces, magnetic adatoms, and molecular systems it is shown how the interplay of Hubbard U and Hund's J determines charge and spin fluctuations and how these interactions drive different sorts of correlation effects in nanosystems. Non-local interactions and correlations present a particular challenge for the theory of low dimensional systems. We present our method developments addressing these two challenges, i.e., advancements of the dynamical vertex approximation and a combination of the constrained random phase approximation with continuum medium theories. We demonstrate how non-local interaction and correlation phenomena are controlled not only by dimensionality but also by coupling to the environment which is typically important for determining the physics of nanosystems.

  14. Electronic document delivery: directing interlibrary loan traffic through multiple electronic networks.

    Science.gov (United States)

    Weaver, C G

    1984-04-01

    The University of Nebraska Medical Center (UNMC) uses five different electronic networks for interlibrary loan (ILL) request transmission. The advantages and problems of using electronic networks for ILL request transmission are discussed. Advantages include speed of request transmission, improved capabilities for locating documents, lower labor costs, improved turnaround time, and production of user reports and statistics. Disadvantages include increased work load, additional staff training, coordination of non-standard networks, determining access protocols, and establishing priorities for handling requests.

  15. The structure of complex networks theory and applications

    CERN Document Server

    Estrada, Ernesto

    2012-01-01

    This book deals with the analysis of the structure of complex networks by combining results from graph theory, physics, and pattern recognition. The book is divided into two parts. 11 chapters are dedicated to the development of theoretical tools for the structural analysis of networks, and 7 chapters are illustrating, in a critical way, applications of these tools to real-world scenarios. The first chapters provide detailed coverage of adjacency and metric and topologicalproperties of networks, followed by chapters devoted to the analysis of individual fragments and fragment-based global inva

  16. Quantized detector networks the theory of observation

    CERN Document Server

    Jaroszkiewicz, George

    2017-01-01

    Scientists have been debating the meaning of quantum mechanics for over a century. This book for graduate students and researchers gets to the root of the problem; the contextual nature of empirical truth, the laws of observation and how these impact on our understanding of quantum physics. Bridging the gap between non-relativistic quantum mechanics and quantum field theory, this novel approach to quantum mechanics extends the standard formalism to cover the observer and their apparatus. The author demystifies some of the aspects of quantum mechanics that have traditionally been regarded as extraordinary, such as wave-particle duality and quantum superposition, by emphasizing the scientific principles rather than the mathematical modelling involved. Including key experiments and worked examples throughout to encourage the reader to focus on empirically sound concepts, this book avoids metaphysical speculation and also alerts the reader to the use of computer algebra to explore quantum experiments of virtually...

  17. Network Security Risk Assessment Based on Item Response Theory

    Directory of Open Access Journals (Sweden)

    Fangwei Li

    2015-08-01

    Full Text Available Owing to the traditional risk assessment method has one-sidedness and is difficult to reflect the real network situation, a risk assessment method based on Item Response Theory (IRT is put forward in network security. First of all, the novel algorithms of calculating the threat of attack and the successful probability of attack are proposed by the combination of IRT model and Service Security Level. Secondly, the service weight of importance is calculated by the three-demarcation analytic hierarchy process. Finally, the risk situation graph of service, host and network logic layer could be generated by the improved method. The simulation results show that this method can be more comprehensive consideration of factors which are affecting network security, and a more realistic network risk situation graph in real-time will be obtained.

  18. Theory of parametrically amplified electron-phonon superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Babadi, Mehrtash; Knap, Michael; Martin, Ivar; Refael, Gil; Demler, Eugene

    2017-07-01

    Ultrafast optical manipulation of ordered phases in strongly correlated materials is a topic of significant theoretical, experimental, and technological interest. Inspired by a recent experiment on light-induced superconductivity in fullerenes [M. Mitrano et al., Nature (London) 530, 461 (2016)], we develop a comprehensive theory of light-induced superconductivity in driven electron-phonon systemswith lattice nonlinearities. In analogy with the operation of parametric amplifiers, we show how the interplay between the external drive and lattice nonlinearities lead to significantly enhanced effective electron-phonon couplings. We provide a detailed and unbiased study of the nonequilibrium dynamics of the driven system using the real-time Green's function technique. To this end, we develop a Floquet generalization of the Migdal-Eliashberg theory and derive a numerically tractable set of quantum Floquet-Boltzmann kinetic equations for the coupled electron-phonon system. We study the role of parametric phonon generation and electronic heating in destroying the transient superconducting state. Finally, we predict the transient formation of electronic Floquet bands in time-and angle-resolved photoemission spectroscopy experiments as a consequence of the proposed mechanism.

  19. Theory of parametrically amplified electron-phonon superconductivity

    Science.gov (United States)

    Babadi, Mehrtash; Knap, Michael; Martin, Ivar; Refael, Gil; Demler, Eugene

    2017-07-01

    Ultrafast optical manipulation of ordered phases in strongly correlated materials is a topic of significant theoretical, experimental, and technological interest. Inspired by a recent experiment on light-induced superconductivity in fullerenes [M. Mitrano et al., Nature (London) 530, 461 (2016), 10.1038/nature16522], we develop a comprehensive theory of light-induced superconductivity in driven electron-phonon systems with lattice nonlinearities. In analogy with the operation of parametric amplifiers, we show how the interplay between the external drive and lattice nonlinearities lead to significantly enhanced effective electron-phonon couplings. We provide a detailed and unbiased study of the nonequilibrium dynamics of the driven system using the real-time Green's function technique. To this end, we develop a Floquet generalization of the Migdal-Eliashberg theory and derive a numerically tractable set of quantum Floquet-Boltzmann kinetic equations for the coupled electron-phonon system. We study the role of parametric phonon generation and electronic heating in destroying the transient superconducting state. Finally, we predict the transient formation of electronic Floquet bands in time- and angle-resolved photoemission spectroscopy experiments as a consequence of the proposed mechanism.

  20. Theory of reversible electron transfer reactions in a condensed phase.

    Science.gov (United States)

    Dhole, Kajal; Modak, Brindaban; Samanta, Alok; Ghosh, Swapan K

    2010-07-01

    We have derived an exact analytical expression for the average forward rate of a reversible electron transfer reaction, modeled through a reaction coordinate undergoing diffusive motion in arbitrary potential wells of the reactant and the product in presence of a localized sink of arbitrary location and strength. The dynamics of diffusive motion is described by employing two coupled generalized diffusion reaction (Smoluchowski) equations with coordinate dependent diffusivity and delta sink. The average forward electron transfer rate constant obtained here for the system, with equilibrium or nonequilibrium distributions as initial condition, is determined by the forward and backward rate constants calculated based on the transition state theory and the weighted average rate for the well dynamics. We also discuss various limiting cases for the rate of electron transfer reactions corresponding to the different experimental situations. As an illustrative example, we have considered back electron transfer (ET) reaction and shown that the present theory can explain the non-Marcus free energy gap dependence of the rate of ET reactions. More importantly, the approach presented here can easily be extended to systems describing the dynamics of diffusive motion in coupled multipotential surfaces associated with electron transfer reactions.

  1. Actor-Network Theory and Tourism : Ordering, materiality and multiplicity

    NARCIS (Netherlands)

    Duim, van der V.R.; Ren, C.; Jóhannesson, G.T.

    2012-01-01

    The recent surfacing of actor-network theory (ANT) in tourism studies correlates to a rising interest in understanding tourism as emergent thorough relational practice connecting cultures, natures and technologies in multifarious ways. Despite the widespread application of ANT across the social

  2. Evaluating Action Learning: A Critical Realist Complex Network Theory Approach

    Science.gov (United States)

    Burgoyne, John G.

    2010-01-01

    This largely theoretical paper will argue the case for the usefulness of applying network and complex adaptive systems theory to an understanding of action learning and the challenge it is evaluating. This approach, it will be argued, is particularly helpful in the context of improving capability in dealing with wicked problems spread around…

  3. On the electronic configuration in Pu: spectroscopy and theory

    Energy Technology Data Exchange (ETDEWEB)

    Tobin, J G; Soderlind, P; Landa, A; Moore, K T; Schwartz, A J; Chung, B W; Wall, M; Wills, J M; Eriksson, O; Haire, R; Kutepov, A L

    2006-10-11

    Photoelectron spectroscopy, synchrotron-radiation-based x-ray absorption, electron energy-loss spectroscopy, and density-functional calculations within the mixed-level and magnetic models, together with canonical band theory have been used to study the electron configuration in Pu. These methods suggest a 5f{sup n} configuration for Pu of 5 {le} n < 6, with n {ne} 6, contrary to what has recently been suggested in several publications. We show that the n = 6 picture is inconsistent with the usual interpretation of photoemission and x-ray absorption spectra. Instead, these spectra support the traditional conjecture of a 5f{sup 5} configuration in Pu as is obtained by density-functional theory. We further argue, based on 5f-band filling, that an n = 6 hypothesis is incompatible with the position of Pu in the actinide series and its monoclinic ground-state phase.

  4. The Network Theory of Well-Being: An Introduction

    Directory of Open Access Journals (Sweden)

    Michael Bishop

    2012-11-01

    Full Text Available In this paper, I propose a novel approach to investigating the nature of well-being and a new theory about well-being. The approach is integrative and naturalistic. It holds that a theory of well-being should account for two different classes of evidence – our commonsense judgments about well-being and the science of well-being (i.e., positive psychology. The network theory holds that a person is in the state of well-being if she instantiates a homeostatically clustered network of feelings, emotions, attitudes, behaviors, traits, and interactions with the world that tends to have a relatively high number of states that feel good, that lead to states that feel good, or that are valued by the agent or her culture.

  5. Network theory and its applications in economic systems

    Science.gov (United States)

    Huang, Xuqing

    This dissertation covers the two major parts of my Ph.D. research: i) developing theoretical framework of complex networks; and ii) applying complex networks models to quantitatively analyze economics systems. In part I, we focus on developing theories of interdependent networks, which includes two chapters: 1) We develop a mathematical framework to study the percolation of interdependent networks under targeted-attack and find that when the highly connected nodes are protected and have lower probability to fail, in contrast to single scale-free (SF) networks where the percolation threshold pc = 0, coupled SF networks are significantly more vulnerable with pc significantly larger than zero. 2) We analytically demonstrates that clustering, which quantifies the propensity for two neighbors of the same vertex to also be neighbors of each other, significantly increases the vulnerability of the system. In part II, we apply the complex networks models to study economics systems, which also includes two chapters: 1) We study the US corporate governance network, in which nodes representing directors and links between two directors representing their service on common company boards, and propose a quantitative measure of information and influence transformation in the network. Thus we are able to identify the most influential directors in the network. 2) We propose a bipartite networks model to simulate the risk propagation process among commercial banks during financial crisis. With empirical bank's balance sheet data in 2007 as input to the model, we find that our model efficiently identifies a significant portion of the actual failed banks reported by Federal Deposit Insurance Corporation during the financial crisis between 2008 and 2011. The results suggest that complex networks model could be useful for systemic risk stress testing for financial systems. The model also identifies that commercial rather than residential real estate assets are major culprits for the

  6. Generalization of the Schrödinger theory of electrons.

    Science.gov (United States)

    Sahni, Viraht

    2017-08-01

    The Schrödinger theory for a system of electrons in the presence of both a static and time-dependent electromagnetic field is generalized so as to exhibit the intrinsic self-consistent nature of the corresponding Schrödinger equations. This is accomplished by proving that the Hamiltonian in the stationary-state and time-dependent cases {Ĥ;Ĥ(t)} are exactly known functionals of the corresponding wave functions {Ψ;Ψ(t)}, that is, Ĥ=Ĥ[Ψ] and Ĥ(t)=Ĥ[Ψ(t)]. Thus, the Schrödinger equations may be written as Ĥ[Ψ]Ψ=E[Ψ]Ψ and Ĥ[Ψ(t)]Ψ(t)=i∂Ψ(t)/∂t. As a consequence the eiegenfunctions and energy eigenvalues {Ψ,E} of the stationary-state equation, and the wave function Ψ(t) of the temporal equation, can be determined self-consistently. The proofs are based on the "Quantal Newtonian" first and second laws which are the equations of motion for the individual electron amongst the sea of electrons in the external fields. The generalization of the Schrödinger equation in this manner leads to additional new physics. The traditional description of the Schrödinger theory of electrons with the Hamiltonians {Ĥ;Ĥ(t)} known constitutes a special case. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  7. Theory and Simulation of an Inverse Free Electron Laser Experiment

    Science.gov (United States)

    Guo, S. K.; Bhattacharjee, A.; Fang, J. M.; Marshall, T. C.

    1996-11-01

    An experimental demonstration of the acceleration of electrons using a high power CO2 laser in an inverse free electron laser (IFEL) is underway at the Brookhaven National Laboratory. This experiment has generated data, which we are attempting to simulate. Included in our studies are such effects as: a low-loss metallic waveguide with a dielectric coating on the walls; multi-mode coupling due to self-consistent interaction between the electrons and the optical wave; space charge (which is significant at lower laser power); energy-spread of the electrons; arbitrary wiggler field profile; and slippage. Two types of wiggler profile have been considered: a linear taper of the period, and a step-taper of the period (the period is ~ 3cm, the field is ~ 1T, and the wiggler length is 47cm). The energy increment of the electrons ( ~ 1-2%) is analyzed in detail as a function of laser power, wiggler parameters, and the initial beam energy (40MeV). For laser power ~ 0.5GW, the predictions of the simulations are in good accord with experimental results. A matter currently under study is the discrepancy between theory and observations for the electron energy distribution observed at the end of the IFEL. This work is supported by the Department of Energy.

  8. 5th International Conference on Electronics, Communications and Networks

    CERN Document Server

    2016-01-01

    This book comprises peer-reviewed contributions presented at the 5th International Conference on Electronics, Communications and Networks (CECNet 2015), held in Shanghai, China, 12-15 December, 2015. It includes new multi-disciplinary topics spanning a unique depth and breadth of cutting-edge research areas in Electronic Engineering, Communications and Networks, and Computer Technology. More generally, it is of interest to academics, students and professionals involved in Consumer Electronics Technology, Communication Engineering and Technology, Wireless Communication Systems and Technology, and Computer Engineering and Technology.

  9. Analyzing complex networks evolution through Information Theory quantifiers

    Energy Technology Data Exchange (ETDEWEB)

    Carpi, Laura C., E-mail: Laura.Carpi@studentmail.newcastle.edu.a [Civil, Surveying and Environmental Engineering, University of Newcastle, University Drive, Callaghan NSW 2308 (Australia); Departamento de Fisica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, Av. Antonio Carlos 6627, Belo Horizonte (31270-901), MG (Brazil); Rosso, Osvaldo A., E-mail: rosso@fisica.ufmg.b [Departamento de Fisica, Instituto de Ciencias Exatas, Universidade Federal de Minas Gerais, Av. Antonio Carlos 6627, Belo Horizonte (31270-901), MG (Brazil); Chaos and Biology Group, Instituto de Calculo, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellon II, Ciudad Universitaria, 1428 Ciudad de Buenos Aires (Argentina); Saco, Patricia M., E-mail: Patricia.Saco@newcastle.edu.a [Civil, Surveying and Environmental Engineering, University of Newcastle, University Drive, Callaghan NSW 2308 (Australia); Departamento de Hidraulica, Facultad de Ciencias Exactas, Ingenieria y Agrimensura, Universidad Nacional de Rosario, Avenida Pellegrini 250, Rosario (Argentina); Ravetti, Martin Gomez, E-mail: martin.ravetti@dep.ufmg.b [Departamento de Engenharia de Producao, Universidade Federal de Minas Gerais, Av. Antonio Carlos, 6627, Belo Horizonte (31270-901), MG (Brazil)

    2011-01-24

    A methodology to analyze dynamical changes in complex networks based on Information Theory quantifiers is proposed. The square root of the Jensen-Shannon divergence, a measure of dissimilarity between two probability distributions, and the MPR Statistical Complexity are used to quantify states in the network evolution process. Three cases are analyzed, the Watts-Strogatz model, a gene network during the progression of Alzheimer's disease and a climate network for the Tropical Pacific region to study the El Nino/Southern Oscillation (ENSO) dynamic. We find that the proposed quantifiers are able not only to capture changes in the dynamics of the processes but also to quantify and compare states in their evolution.

  10. Chemical reaction network approaches to Biochemical Systems Theory.

    Science.gov (United States)

    Arceo, Carlene Perpetua P; Jose, Editha C; Marin-Sanguino, Alberto; Mendoza, Eduardo R

    2015-11-01

    This paper provides a framework to represent a Biochemical Systems Theory (BST) model (in either GMA or S-system form) as a chemical reaction network with power law kinetics. Using this representation, some basic properties and the application of recent results of Chemical Reaction Network Theory regarding steady states of such systems are shown. In particular, Injectivity Theory, including network concordance [36] and the Jacobian Determinant Criterion [43], a "Lifting Theorem" for steady states [26] and the comprehensive results of Müller and Regensburger [31] on complex balanced equilibria are discussed. A partial extension of a recent Emulation Theorem of Cardelli for mass action systems [3] is derived for a subclass of power law kinetic systems. However, it is also shown that the GMA and S-system models of human purine metabolism [10] do not display the reactant-determined kinetics assumed by Müller and Regensburger and hence only a subset of BST models can be handled with their approach. Moreover, since the reaction networks underlying many BST models are not weakly reversible, results for non-complex balanced equilibria are also needed. Copyright © 2015 Elsevier Inc. All rights reserved.

  11. A quantum field theory of the extended electron

    Energy Technology Data Exchange (ETDEWEB)

    Salesi, Giovanni [Universita Statale di Catania (Italy). Dipt. di Fisica; Recami, Erasmo [Universita Statale di Bergamo, Dalmine, BG (Italy). Facolta di Ingegneria]|[Universidade Estadual de Campinas, SP (Brazil). Dept. de Matematica Aplicada

    1993-12-01

    In a recent paper, the classical model of Barut and Zanghi (BZ) for the electron spin which interpreted the Zitterbewegung (zbw) motion along helical paths and its quantum version have been investigated by using the language of Clifford algebras. In also doing, a new non-linear Dirac-like equation (NDE) was derived. We want to readdress the whole subject, and complete it, by adopting - for the sake of physical clarity - the ordinary tensorial language. In particular, we re-derive here the NDE for the electron quantum field, show it to be associated with a new conserved probability current, and stress its importance for a quantum field theory of spin 1/2 fermions. Actually, we propose this equation in substitution for the Dirac equation, which comes from the former by averaging over a zbw cycle. We then derive a new equation of motion for the quantum field velocity, which will allow us to regard the electron as an extended object, with a classically intelligible internal structure (thus overcoming some known, long-standing problems). We carefully the solutions of the NDE; with special attention to those implying (at the classical limit) light-like helical motions, since these appear to be the most adequate equations for the electron description, from the kinematical and physical points of view, and do cope with the electron electromagnetic properties (such as Coulomb field and intrinsic magnetic moment). (author). 18 refs.

  12. Trusted intermediating agents in electronic trade networks

    NARCIS (Netherlands)

    T.B. Klos (Tomas); F. Alkemade (Floortje)

    2005-01-01

    htmlabstract Electronic commerce and trading of information goods significantly impact the role of intermediaries: consumers can bypass intermediating agents by forming direct links to producers. One reason that traditional intermediaries can still make a profit, is that they have more knowledge of

  13. Electron correlation in solids via density embedding theory

    Energy Technology Data Exchange (ETDEWEB)

    Bulik, Ireneusz W.; Chen, Weibing [Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Scuseria, Gustavo E. [Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

    2014-08-07

    Density matrix embedding theory [G. Knizia and G. K.-L. Chan, Phys. Rev. Lett. 109, 186404 (2012)] and density embedding theory [I. W. Bulik, G. E. Scuseria, and J. Dukelsky, Phys. Rev. B 89, 035140 (2014)] have recently been introduced for model lattice Hamiltonians and molecular systems. In the present work, the formalism is extended to the ab initio description of infinite systems. An appropriate definition of the impurity Hamiltonian for such systems is presented and demonstrated in cases of 1, 2, and 3 dimensions, using coupled cluster theory as the impurity solver. Additionally, we discuss the challenges related to disentanglement of fragment and bath states. The current approach yields results comparable to coupled cluster calculations of infinite systems even when using a single unit cell as the fragment. The theory is formulated in the basis of Wannier functions but it does not require separate localization of unoccupied bands. The embedding scheme presented here is a promising way of employing highly accurate electronic structure methods for extended systems at a fraction of their original computational cost.

  14. A Linear Theory of Microwave Instability in Electron Storage Rings

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Yunhai; /SLAC

    2011-07-06

    The well-known Haissinski distribution provides a stable equilibrium of longitudinal beam distribution in electron storage rings below a threshold current. Yet, how to accurately determine this threshold, above which the Haissinski distribution becomes unstable, is not firmly established in theory. In this paper, we will show how to apply the Laguerre polynomials in an analysis of this stability that are associated with the potential-well distortion. Our approach provides an alternative to the discretization method proposed by Oide and Yokoya. Moreover, it reestablishes an essential connection to the theory of mode coupling originated by Sacherer. Our new and self-consistent method is applied to study the microwave instability driven by commonly known impedances, including coherent synchrotron radiation in free space.

  15. Transformers and inductors for power electronics theory, design and applications

    CERN Document Server

    Hurley, WG

    2013-01-01

    Based on the fundamentals of electromagnetics, this clear and concise text explains basic and applied principles of transformer and inductor design for power electronic applications. It details both the theory and practice of inductors and transformers employed to filter currents, store electromagnetic energy, provide physical isolation between circuits, and perform stepping up and down of DC and AC voltages. The authors present a broad range of applications from modern power conversion systems. They provide rigorous design guidelines based on a robust methodology for inductor and transform

  16. Review of x-ray free-electron laser theory

    Directory of Open Access Journals (Sweden)

    Zhirong Huang

    2007-03-01

    Full Text Available High-gain free-electron lasers (FELs are being developed as extremely bright sources for a next-generation x-ray facility. In this paper, we review the basic theory of the start-up, the exponential growth, and the saturation of the high-gain process, emphasizing the self-amplified spontaneous emission. The radiation characteristics of an x-ray FEL, including its transverse coherence, temporal characteristics, and harmonic content, are discussed. FEL performance in the presence of machine errors and undulator wakefields is examined. Various enhancement schemes through seeding and beam manipulations are summarized.

  17. Quantum theory of the optical and electronic properties of semiconductors

    CERN Document Server

    Haug, Hartmut

    1990-01-01

    The current technological revolution in the development of computing devices has created a demand for a textbook on the quantum theory of the electronic and optical properties of semiconductors and semiconductor devices. This book successfully fulfills this need. Based on lectures given by the authors, it is a comprehensive introduction for researchers or graduate-level students to the subject. Certain sections can also serve as a graduate-level textbook for use in solid state physics courses or for more specialized courses. The final chapters establish a direct link to current research in sem

  18. Ordering, materiality, and multiplicity: Enacting Actor–Network Theory in tourism

    NARCIS (Netherlands)

    Duim, van der R.; Ren, C.; Johannesson, G.T.

    2013-01-01

    In this article, we demonstrate how Actor–Network Theory has been translated into tourism research. The article presents and discusses three concepts integral to the Actor–Network Theory approach: ordering, materiality, and multiplicity. We first briefly introduce Actor–Network Theory and draw

  19. Dynamical graph theory networks techniques for the analysis of sparse connectivity networks in dementia

    Science.gov (United States)

    Tahmassebi, Amirhessam; Pinker-Domenig, Katja; Wengert, Georg; Lobbes, Marc; Stadlbauer, Andreas; Romero, Francisco J.; Morales, Diego P.; Castillo, Encarnacion; Garcia, Antonio; Botella, Guillermo; Meyer-Bäse, Anke

    2017-05-01

    Graph network models in dementia have become an important computational technique in neuroscience to study fundamental organizational principles of brain structure and function of neurodegenerative diseases such as dementia. The graph connectivity is reflected in the connectome, the complete set of structural and functional connections of the graph network, which is mostly based on simple Pearson correlation links. In contrast to simple Pearson correlation networks, the partial correlations (PC) only identify direct correlations while indirect associations are eliminated. In addition to this, the state-of-the-art techniques in brain research are based on static graph theory, which is unable to capture the dynamic behavior of the brain connectivity, as it alters with disease evolution. We propose a new research avenue in neuroimaging connectomics based on combining dynamic graph network theory and modeling strategies at different time scales. We present the theoretical framework for area aggregation and time-scale modeling in brain networks as they pertain to disease evolution in dementia. This novel paradigm is extremely powerful, since we can derive both static parameters pertaining to node and area parameters, as well as dynamic parameters, such as system's eigenvalues. By implementing and analyzing dynamically both disease driven PC-networks and regular concentration networks, we reveal differences in the structure of these network that play an important role in the temporal evolution of this disease. The described research is key to advance biomedical research on novel disease prediction trajectories and dementia therapies.

  20. Microscopic Theory of Multipole Ordering in f-Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Hotta

    2012-01-01

    Full Text Available A microscopic framework to determine multipole ordering in f-electron systems is provided on the basis of the standard quantum field theory. For the construction of the framework, a seven-orbital Hubbard Hamiltonian with strong spin-orbit coupling is adopted as a prototype model. A type of multipole and ordering vector is determined from the divergence of multipole susceptibility, which is evaluated in a random phase approximation. As an example of the application of the present framework, a multipole phase diagram on a three-dimensional simple cubic lattice is discussed for the case of n=2, where n denotes the average f-electron number per site. Finally, future problems concerning multipole ordering and fluctuations are briefly discussed.

  1. Current functional theory for multi-electron configuration

    DEFF Research Database (Denmark)

    Bang, Jens N.; Bohr, Henrik

    2010-01-01

    The density functional theory (DFT) formalism is reformulated into a framework of currents so as to give the energy a parameter dependent behaviour, e.g., time. This “current” method is aimed at describing the transition of electrons from one orbital to another and especially from the ground state...... to an excited state and extended to the relativistic region in order to include magnetic fields which is relevant especially for heavy metallic compounds. The formalism leads to a set of coupled first order partial differential equations to describe the time evolution of atoms and molecules. The application...... of the method to ZnO and H2O to calculate the occupation probabilities of the orbitals lead to the results that compare favorably with those obtained from DFT. Furthermore, evolution equations for electrons in both atoms and molecules can be derived. Applications to specific examples of small molecules (being...

  2. Electron-Cloud Build-Up: Theory and Data

    Energy Technology Data Exchange (ETDEWEB)

    Furman, M. A.

    2010-10-08

    We present a broad-brush survey of the phenomenology, history and importance of the electron-cloud effect (ECE). We briefly discuss the simulation techniques used to quantify the electron-cloud (EC) dynamics. Finally, we present in more detail an effective theory to describe the EC density build-up in terms of a few effective parameters. For further details, the reader is encouraged to refer to the proceedings of many prior workshops, either dedicated to EC or with significant EC contents, including the entire 'ECLOUD' series. In addition, the proceedings of the various flavors of Particle Accelerator Conferences contain a large number of EC-related publications. The ICFA Beam Dynamics Newsletter series contains one dedicated issue, and several occasional articles, on EC. An extensive reference database is the LHC website on EC.

  3. Electronic Circuit Analog of Synthetic Genetic Networks: Revisited

    CERN Document Server

    Hellen, Edward H

    2016-01-01

    Electronic circuits are useful tools for studying potential dynamical behaviors of synthetic genetic networks. The circuit models are complementary to numerical simulations of the networks, especially providing a framework for verification of dynamical behaviors in the presence of intrinsic and extrinsic noise of the electrical systems. Here we present an improved version of our previous design of an electronic analog of genetic networks that includes the 3-gene Repressilator and we show conversions between model parameters and real circuit component values to mimic the numerical results in experiments. Important features of the circuit design include the incorporation of chemical kinetics representing Hill function inhibition, quorum sensing coupling, and additive noise. Especially, we make a circuit design for a systematic change of initial conditions in experiment, which is critically important for studies of dynamical systems' behavior, particularly, when it shows multistability. This improved electronic ...

  4. Randomly evolving idiotypic networks: modular mean field theory.

    Science.gov (United States)

    Schmidtchen, Holger; Behn, Ulrich

    2012-07-01

    We develop a modular mean field theory for a minimalistic model of the idiotypic network. The model comprises the random influx of new idiotypes and a deterministic selection. It describes the evolution of the idiotypic network towards complex modular architectures, the building principles of which are known. The nodes of the network can be classified into groups of nodes, the modules, which share statistical properties. Each node experiences only the mean influence of the groups to which it is linked. Given the size of the groups and linking between them the statistical properties such as mean occupation, mean lifetime, and mean number of occupied neighbors are calculated for a variety of patterns and compared with simulations. For a pattern which consists of pairs of occupied nodes correlations are taken into account.

  5. Tensor Networks for Lattice Gauge Theories with Continuous Groups

    Directory of Open Access Journals (Sweden)

    L. Tagliacozzo

    2014-11-01

    Full Text Available We discuss how to formulate lattice gauge theories in the tensor-network language. In this way, we obtain both a consistent-truncation scheme of the Kogut-Susskind lattice gauge theories and a tensor-network variational ansatz for gauge-invariant states that can be used in actual numerical computations. Our construction is also applied to the simplest realization of the quantum link models or gauge magnets and provides a clear way to understand their microscopic relation with the Kogut-Susskind lattice gauge theories. We also introduce a new set of gauge-invariant operators that modify continuously Rokhsar-Kivelson wave functions and can be used to extend the phase diagrams of known models. As an example, we characterize the transition between the deconfined phase of the Z_{2} lattice gauge theory and the Rokhsar-Kivelson point of the U(1 gauge magnet in 2D in terms of entanglement entropy. The topological entropy serves as an order parameter for the transition but not the Schmidt gap.

  6. Game Theory for Wireless Sensor Networks: A Survey

    Science.gov (United States)

    Shi, Hai-Yan; Wang, Wan-Liang; Kwok, Ngai-Ming; Chen, Sheng-Yong

    2012-01-01

    Game theory (GT) is a mathematical method that describes the phenomenon of conflict and cooperation between intelligent rational decision-makers. In particular, the theory has been proven very useful in the design of wireless sensor networks (WSNs). This article surveys the recent developments and findings of GT, its applications in WSNs, and provides the community a general view of this vibrant research area. We first introduce the typical formulation of GT in the WSN application domain. The roles of GT are described that include routing protocol design, topology control, power control and energy saving, packet forwarding, data collection, spectrum allocation, bandwidth allocation, quality of service control, coverage optimization, WSN security, and other sensor management tasks. Then, three variations of game theory are described, namely, the cooperative, non-cooperative, and repeated schemes. Finally, existing problems and future trends are identified for researchers and engineers in the field. PMID:23012533

  7. Game Theory for Wireless Sensor Networks: A Survey

    Directory of Open Access Journals (Sweden)

    Ngai-Ming Kwok

    2012-07-01

    Full Text Available Game theory (GT is a mathematical method that describes the phenomenon of conflict and cooperation between intelligent rational decision-makers. In particular, the theory has been proven very useful in the design of wireless sensor networks (WSNs. This article surveys the recent developments and findings of GT, its applications in WSNs, and provides the community a general view of this vibrant research area. We first introduce the typical formulation of GT in the WSN application domain. The roles of GT are described that include routing protocol design, topology control, power control and energy saving, packet forwarding, data collection, spectrum allocation, bandwidth allocation, quality of service control, coverage optimization, WSN security, and other sensor management tasks. Then, three variations of game theory are described, namely, the cooperative, non-cooperative, and repeated schemes. Finally, existing problems and future trends are identified for researchers and engineers in the field.

  8. Game theory for Wireless Sensor Networks: a survey.

    Science.gov (United States)

    Shi, Hai-Yan; Wang, Wan-Liang; Kwok, Ngai-Ming; Chen, Sheng-Yong

    2012-01-01

    Game theory (GT) is a mathematical method that describes the phenomenon of conflict and cooperation between intelligent rational decision-makers. In particular, the theory has been proven very useful in the design of wireless sensor networks (WSNs). This article surveys the recent developments and findings of GT, its applications in WSNs, and provides the community a general view of this vibrant research area. We first introduce the typical formulation of GT in the WSN application domain. The roles of GT are described that include routing protocol design, topology control, power control and energy saving, packet forwarding, data collection, spectrum allocation, bandwidth allocation, quality of service control, coverage optimization, WSN security, and other sensor management tasks. Then, three variations of game theory are described, namely, the cooperative, non-cooperative, and repeated schemes. Finally, existing problems and future trends are identified for researchers and engineers in the field.

  9. Automotive mechatronics automotive networking, driving stability systems, electronics

    CERN Document Server

    2015-01-01

    As the complexity of automotive vehicles increases this book presents operational and practical issues of automotive mechatronics. It is a comprehensive introduction to controlled automotive systems and provides detailed information of sensors for travel, angle, engine speed, vehicle speed, acceleration, pressure, temperature, flow, gas concentration etc. The measurement principles of the different sensor groups are explained and examples to show the measurement principles applied in different types. Contents Basics of mechatronics.- Architecture.- Electronic control unit.- Software development.- Basic principles of networking.- Automotive networking.- Bus systems.- Automotive sensors.- Sensor measuring principles.- Sensor types.- Electric actuators.- Electrohydraulic actuators.- Electronic transmission control.- Electronic transmission control unit.- Modules for transmission control.- Antilock braking system.- Traction control system.- Electronic stability program.- Automatic brake functions.- Hydraulic modu...

  10. Electron scattering from neon via effective range theory

    Energy Technology Data Exchange (ETDEWEB)

    Fedus, Kamil, E-mail: kamil@fizyka.umk.pl [Institute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Torun (Poland)

    2014-07-01

    Elastic cross-sections for electron scattering on neon from 0 energy up to 16 eV are analyzed by an analytical approach to the modified effective range theory (MERT). It is shown that energy and angular variations of elastic differential, integral and momentum transfer cross sections can be accurately parameterized by six MERT coefficients up to the energy threshold for the first Feshbach resonance. MERT parameters are determined empirically by numerical comparison with large collection of available experimental data of elastic total (integral) cross-sections. The present analysis is validated against numerous electron beams and swarm experiments. The comparison of derived MERT parameters with those found for other noble gases, helium, argon and krypton, is done. The derived scattering length (for the s-partial wave) in neon, 0.227a0, agrees well with recent theories; it is small but, differently from Ar and Kr, still positive. Analogue parameters for the p-wave and the d-wave are negative and positive respectively for all the four gases compared. (author)

  11. Photoinduced intermolecular electron transfer in complex liquids: Experiment and theory

    Science.gov (United States)

    Tavernier, H. L.; Kalashnikov, M. M.; Fayer, M. D.

    2000-12-01

    Photoinduced intermolecular electron transfer between Rhodamine 3B and N,N-dimethylaniline has been studied in a series of seven liquids: acetonitrile, ethanol, propylene glycol, and mixtures of ethanol, 2-butanol, ethylene glycol, propylene glycol, and glycerol. In each liquid, the donor and acceptors have different diffusion constants and experience distinct dielectric properties. Ps time-dependent fluorescence measurements and steady-state fluorescence yield measurements were made and analyzed using a detailed statistical mechanical theory that includes a distance-dependent Marcus rate constant, diffusion with the hydrodynamic effect, and solvent structure. All solvent-dependent parameters necessary for calculations were measured, including dielectric constants, diffusion constants, and redox potentials, leaving the electronic coupling unknown. Taking the distance-dependence of the coupling to be β=1 Å-1, data were fit to a single parameter, the coupling matrix element at contact, J0. The theory is able to reproduce both the functional form of the time-dependence and the concentration-dependence of the data in all seven liquids by fitting only J0. Despite the substantial differences in the properties of the experimental systems studied, fits to the data are very good and the values for J0 are very similar for all solvents.

  12. Mechanically Reinforced Skin-Electronics with Networked Nanocomposite Elastomer.

    Science.gov (United States)

    Han, Seungyong; Kim, Min Ku; Wang, Bo; Wie, Dae Seung; Wang, Shuodao; Lee, Chi Hwan

    2016-12-01

    Mechanically reinforced skin-electronics are presented by exploiting networked nanocomposite elastomers where high quality metal nanowires serve as conducting paths. Theoretical and experimental studies show that the established skin-electronics exhibit superior mechanical enhancements against crack and delamination phenomena. Device applications include a class of biomedical devices that offers the ability of thermotherapeutic stimulation and electrophysiological monitoring, all via the skin. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Linking experiment and theory for three-dimensional networked binary metal nanoparticle–triblock terpolymer superstructures

    KAUST Repository

    Li, Zihui

    2014-02-21

    © 2014 Macmillan Publishers Limited. Controlling superstructure of binary nanoparticle mixtures in three dimensions from self-assembly opens enormous opportunities for the design of materials with unique properties. Here we report on how the intimate coupling of synthesis, in-depth electron tomographic characterization and theory enables exquisite control of superstructure in highly ordered porous three-dimensional continuous networks from single and binary mixtures of metal nanoparticles with a triblock terpolymer. Poly(isoprene-block-styrene-block-(N,N-dimethylamino)ethyl methacrylate) is synthesized and used as structure-directing agent for ligand-stabilized platinum and gold nanoparticles. Quantitative analysis provides insights into short-and long-range nanoparticle-nanoparticle correlations, and local and global contributions to structural chirality in the networks. Results provide synthesis criteria for next-generation mesoporous network superstructures from binary nanoparticle mixtures for potential applications in areas including catalysis.

  14. Complex Network Theory Applied to the Growth of Kuala Lumpur's Public Urban Rail Transit Network.

    Directory of Open Access Journals (Sweden)

    Rui Ding

    Full Text Available Recently, the number of studies involving complex network applications in transportation has increased steadily as scholars from various fields analyze traffic networks. Nonetheless, research on rail network growth is relatively rare. This research examines the evolution of the Public Urban Rail Transit Networks of Kuala Lumpur (PURTNoKL based on complex network theory and covers both the topological structure of the rail system and future trends in network growth. In addition, network performance when facing different attack strategies is also assessed. Three topological network characteristics are considered: connections, clustering and centrality. In PURTNoKL, we found that the total number of nodes and edges exhibit a linear relationship and that the average degree stays within the interval [2.0488, 2.6774] with heavy-tailed distributions. The evolutionary process shows that the cumulative probability distribution (CPD of degree and the average shortest path length show good fit with exponential distribution and normal distribution, respectively. Moreover, PURTNoKL exhibits clear cluster characteristics; most of the nodes have a 2-core value, and the CPDs of the centrality's closeness and betweenness follow a normal distribution function and an exponential distribution, respectively. Finally, we discuss four different types of network growth styles and the line extension process, which reveal that the rail network's growth is likely based on the nodes with the biggest lengths of the shortest path and that network protection should emphasize those nodes with the largest degrees and the highest betweenness values. This research may enhance the networkability of the rail system and better shape the future growth of public rail networks.

  15. Network Theory and Effects of Transcranial Brain Stimulation Methods on the Brain Networks

    Directory of Open Access Journals (Sweden)

    Sema Demirci

    2014-12-01

    Full Text Available In recent years, there has been a shift from classic localizational approaches to new approaches where the brain is considered as a complex system. Therefore, there has been an increase in the number of studies involving collaborations with other areas of neurology in order to develop methods to understand the complex systems. One of the new approaches is graphic theory that has principles based on mathematics and physics. According to this theory, the functional-anatomical connections of the brain are defined as a network. Moreover, transcranial brain stimulation techniques are amongst the recent research and treatment methods that have been commonly used in recent years. Changes that occur as a result of applying brain stimulation techniques on physiological and pathological networks help better understand the normal and abnormal functions of the brain, especially when combined with techniques such as neuroimaging and electroencephalography. This review aims to provide an overview of the applications of graphic theory and related parameters, studies conducted on brain functions in neurology and neuroscience, and applications of brain stimulation systems in the changing treatment of brain network models and treatment of pathological networks defined on the basis of this theory.

  16. Theory of Fast Electron Transport for Fast Ignition

    CERN Document Server

    Robinson, A P L; Davies, J R; Gremillet, L; Honrubia, J J; Johzaki, T; Kingham, R J; Sherlock, M; Solodov, A A

    2013-01-01

    Fast Ignition Inertial Confinement Fusion is a variant of inertial fusion in which DT fuel is first compressed to high density and then ignited by a relativistic electron beam generated by a fast (< 20 ps) ultra-intense laser pulse, which is usually brought in to the dense plasma via the inclusion of a re-entrant cone. The transport of this beam from the cone apex into the dense fuel is a critical part of this scheme, as it can strongly influence the overall energetics. Here we review progress in the theory and numerical simulation of fast electron transport in the context of Fast Ignition. Important aspects of the basic plasma physics, descriptions of the numerical methods used, a review of ignition-scale simulations, and a survey of schemes for controlling the propagation of fast electrons are included. Considerable progress has taken place in this area, but the development of a robust, high-gain FI `point design' is still an ongoing challenge.

  17. Electron avalanche structure determined by random walk theory

    Science.gov (United States)

    Englert, G. W.

    1973-01-01

    A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is made possible by a random walk technique. Results show that the electric field patterns in the early formation stages of avalanches in helium are close to those obtained from theory based on constant transport coefficients. Regions of maximum and minimum induced electrostatic potential phi are located on the axis of symmetry and within the volume covered by the electron swarm. As formation time continues, however, the region of minimum phi moves to slightly higher radii and the electric field between the extrema becomes somewhat erratic. In the intermediate formation periods the avalanche growth is slightly retarded by the high concentration of ions in the tail which oppose the external electric field. Eventually the formation of ions and electrons in the localized regions of high field strength more than offset this effect causing a very abrupt increase in avalanche growth.

  18. Electronic absorption spectra and geometry of organic molecules an application of molecular orbital theory

    CERN Document Server

    Suzuki, Hiroshi

    1967-01-01

    Electronic Absorption Spectra and Geometry of Organic Molecules: An Application of Molecular Orbital Theory focuses on electronic absorption spectra of organic compounds and molecules. The book begins with the discussions on molecular spectra, electronic absorption spectra of organic compounds, and practical measures of absorption intensity. The text also focuses on molecular orbital theory and group theory. Molecular state functions; fundamental postulates of quantum theory; representation of symmetry groups; and symmetry operations and symmetry groups are described. The book also dis

  19. European Conference on Game Theory & Networking Games and Management

    CERN Document Server

    Mazalov, Vladimir

    2016-01-01

    This contributed volume contains fourteen papers based on selected presentations from the European Conference on Game Theory SING11-GTM 2015, held at Saint Petersburg State University in July 2015, and the Networking Games and Management workshop, held at the Karelian Research Centre of the Russian Academy of Sciences in Petrozvavodsk, Russia, also in July 2015. These papers cover a wide range of topics in game theory, including recent advances in areas with high potential for future work, as well as new developments on classical results. Some of these include A new approach to journal ranking using methods from social choice theory; A differential game of a duopoly in which two firms are competing for market share in an industry with network externalities; The impact of information propagation in the model of tax audits; A voting model in which the results of previous votes can affect the process of coalition formation in a decision-making body; The Selten-Szidarovsky technique for the analysis of Nash equil...

  20. Level-resolved quantum statistical theory of electron capture into many-electron compound resonances in highly charged ions

    CERN Document Server

    Berengut, J C; Dzuba, V A; Flambaum, V V; Gribakin, G F

    2015-01-01

    The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture in...

  1. The use of electronic communication (social network) by open and ...

    African Journals Online (AJOL)

    social network) by open and distance learners, henceforth referred to as ODL in the work. The case of National Open University of Nigeria, Benin study centre. The study is to explore the electronic device mostly used by open and distance ...

  2. Percolation on shopping and cashback electronic commerce networks

    Science.gov (United States)

    Fu, Tao; Chen, Yini; Qin, Zhen; Guo, Liping

    2013-06-01

    Many realistic networks live in the form of multiple networks, including interacting networks and interdependent networks. Here we study percolation properties of a special kind of interacting networks, namely Shopping and Cashback Electronic Commerce Networks (SCECNs). We investigate two actual SCECNs to extract their structural properties, and develop a mathematical framework based on generating functions for analyzing directed interacting networks. Then we derive the necessary and sufficient condition for the absence of the system-wide giant in- and out- component, and propose arithmetic to calculate the corresponding structural measures in the sub-critical and supercritical regimes. We apply our mathematical framework and arithmetic to those two actual SCECNs to observe its accuracy, and give some explanations on the discrepancies. We show those structural measures based on our mathematical framework and arithmetic are useful to appraise the status of SCECNs. We also find that the supercritical regime of the whole network is maintained mainly by hyperlinks between different kinds of websites, while those hyperlinks between the same kinds of websites can only enlarge the sizes of in-components and out-components.

  3. On the application of quantum transport theory to electron sources.

    Science.gov (United States)

    Jensen, Kevin L

    2003-01-01

    Electron sources (e.g., field emitter arrays, wide band-gap (WBG) semiconductor materials and coatings, carbon nanotubes, etc.) seek to exploit ballistic transport within the vacuum after emission from microfabricated structures. Regardless of kind, all sources strive to minimize the barrier to electron emission by engineering material properties (work function/electron affinity) or physical geometry (field enhancement) of the cathode. The unique capabilities of cold cathodes, such as instant ON/OFF performance, high brightness, high current density, large transconductance to capacitance ratio, cold emission, small size and/or low voltage operation characteristics, commend their use in several advanced devices when physical size, weight, power consumption, beam current, and pulse repletion frequency are important, e.g., RF power amplifier such as traveling wave tubes (TWTs) for radar and communications, electrodynamic tethers for satellite deboost/reboost, and electric propulsion systems such as Hall thrusters for small satellites. The theoretical program described herein is directed towards models to evaluate emission current from electron sources (in particular, emission from WBG and Spindt-type field emitter) in order to assess their utility, capabilities and performance characteristics. Modeling efforts particularly include: band bending, non-linear and resonant (Poole-Frenkel) potentials, the extension of one-dimensional theory to multi-dimensional structures, and emission site statistics due to variations in geometry and the presence of adsorbates. Two particular methodologies, namely, the modified Airy approach and metal-semiconductor statistical hyperbolic/ellipsoidal model, are described in detail in their present stage of development.

  4. Kinetic Theory and Fast Wind Observations of the Electron Strahl

    Science.gov (United States)

    Horaites, Konstantinos; Boldyrev, Stanislav; Wilson, Lynn B., III; Viñas, Adolfo F.; Merka, Jan

    2018-02-01

    We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.

  5. Matching Theory for Channel Allocation in Cognitive Radio Networks

    Directory of Open Access Journals (Sweden)

    L. Cao

    2016-12-01

    Full Text Available For a cognitive radio network (CRN in which a set of secondary users (SUs competes for a limited number of channels (spectrum resources belonging to primary users (PUs, the channel allocation is a challenge and dominates the throughput and congestion of the network. In this paper, the channel allocation problem is first formulated as the 0-1 integer programming optimization, with considering the overall utility both of primary system and secondary system. Inspired by matching theory, a many-to-one matching game is used to remodel the channel allocation problem, and the corresponding PU proposing deferred acceptance (PPDA algorithm is also proposed to yield a stable matching. We compare the performance and computation complexity between these two solutions. Numerical results demonstrate the efficiency and obtain the communication overhead of the proposed scheme.

  6. Bridging disparate symptoms of schizophrenia: a triple network dysfunction theory.

    Science.gov (United States)

    Nekovarova, Tereza; Fajnerova, Iveta; Horacek, Jiri; Spaniel, Filip

    2014-01-01

    Schizophrenia is a complex neuropsychiatric disorder with variable symptomatology, traditionally divided into positive and negative symptoms, and cognitive deficits. However, the etiology of this disorder has yet to be fully understood. Recent findings suggest that alteration of the basic sense of self-awareness may be an essential distortion of schizophrenia spectrum disorders. In addition, extensive research of social and mentalizing abilities has stressed the role of distortion of social skills in schizophrenia.This article aims to propose and support a concept of a triple brain network model of the dysfunctional switching between default mode and central executive network (CEN) related to the aberrant activity of the salience network. This model could represent a unitary mechanism of a wide array of symptom domains present in schizophrenia including the deficit of self (self-awareness and self-representation) and theory of mind (ToM) dysfunctions along with the traditional positive, negative and cognitive domains. We review previous studies which document the dysfunctions of self and ToM in schizophrenia together with neuroimaging data that support the triple brain network model as a common neuronal substrate of this dysfunction.

  7. Bridging disparate symptoms of schizophrenia: a Triple network dysfunction theory

    Directory of Open Access Journals (Sweden)

    Tereza eNekovarova

    2014-05-01

    Full Text Available Schizophrenia is a complex neuropsychiatric disorder with variable symptomatology, traditionally divided into positive and negative symptoms, and cognitive deficits. Yet, the etiology of this disorder has yet to be fully understood.Recent findings suggest that alteration of the basic sense of self-awareness may be an essential distortion of schizophrenia spectrum disorders. In addition, extensive research of social and mentalizing abilities has stressed the role of distortion of social skills in schizophrenia.This article aims to propose and support a concept of triple brain network model of the dysfunctional switching between default mode and central executive network related to the aberrant activity of salience network. This model could represent a unitary mechanism of a wide array of symptom domains present in schizophrenia including the deficit of SELF (self-awareness and self-representation and theory of mind (ToM dysfunctions along with the traditional positive, negative and cognitive domains. We review previous studies which document the dysfunctions of SELF and ToM in schizophrenia together with neuroimaging data elucidating the triple brain network model as a common neuronal substrate of this dysfunction.

  8. Games as Actors - Interaction, Play, Design, and Actor Network Theory

    DEFF Research Database (Denmark)

    Jessen, Jari Due; Jessen, Carsten

    2014-01-01

    data from a study of board games , computer games, and exergames, we conclude that games are actors that produce experiences by exercising power over the user’ s abilities, for example their cognitive functions. Games are designed to take advantage of the characteristics of the human players......When interacting with computer games, users are forced to follow the rules of the game in return for the excitement, joy, fun, or other pursued experiences. In this paper, we investigate how games a chieve these experiences in the perspective of Actor Network Theory (ANT). Based on a qualitative...

  9. Electronic collaboration in dermatology resident training through social networking.

    Science.gov (United States)

    Meeks, Natalie M; McGuire, April L; Carroll, Bryan T

    2017-04-01

    The use of online educational resources and professional social networking sites is increasing. The field of dermatology is currently under-utilizing online social networking as a means of professional collaboration and sharing of training materials. In this study, we sought to assess the current structure of and satisfaction with dermatology resident education and gauge interest for a professional social networking site for educational collaboration. Two surveys-one for residents and one for faculty-were electronically distributed via the American Society for Dermatologic Surgery and Association of Professors of Dermatology (APD) listserves. The surveys confirmed that there is interest among dermatology residents and faculty in a dermatology professional networking site with the goal to enhance educational collaboration.

  10. Using actor-network theory to study an educational situation: an ...

    African Journals Online (AJOL)

    Actor-network theory allows a researcher to analyse a complex social setting involving both human and non-human actors. An actor network can be used to model a dynamic and complex set of relationships between these actors. This article describes actor-network theory and shows how it was applied to study and model ...

  11. Short-Range Correlation Models in Electronic Structure Theory

    Science.gov (United States)

    Goldey, Matthew Bryant

    Correlation methods within electronic structure theory focus on recovering the exact electron-electron interaction from the mean-field reference. For most chemical systems, including dynamic correlation, the correlation of the movement of electrons proves to be sufficient, yet exact methods for capturing dynamic correlation inherently scale polynomially with system size despite the locality of the electron cusp. This work explores a new family of methods for enhancing the locality of dynamic correlation methodologies with an aim toward improving accuracy and scalability. The introduction of range-separation into ab initio wavefunction methods produces short-range correlation methodologies, which can be supplemented with much faster approximate methods for long-range interactions. First, I examine attenuation of second-order Moller-Plesset perturbation theory (MP2) in the aug-cc-pVDZ basis. MP2 treats electron correlation at low computational cost, but suffers from basis set superposition error (BSSE) and fundamental inaccuracies in long-range contributions. The cost differential between complete basis set (CBS) and small basis MP2 restricts system sizes where BSSE can be removed. Range-separation of MP2 could yield more tractable and/or accurate forms for short- and long-range correlation. Retaining only short-range contributions proves to be effective for MP2 in the small aug-cc-pVDZ (aDZ) basis. Using one range-separation parameter within either the complementary error function (erfc) or a sum of two error functions (terfc), superior behavior is obtained versus both MP2/aDZ and MP2/CBS for inter- and intra-molecular test sets. Attenuation of the long-range helps to cancel both BSSE and intrinsic MP2 errors. Direct scaling of the MP2 correlation energy (SMP2) proves useful as well. The resulting SMP2/aDZ, MP2(erfc, aDZ), and MP2(terfc, aDZ) methods perform far better than MP2/aDZ across systems with hydrogen-bonding, dispersion, and mixed interactions at a

  12. Transportation and dynamic networks: Models, theory, and applications to supply chains, electric power, and financial networks

    Science.gov (United States)

    Liu, Zugang

    Network systems, including transportation and logistic systems, electric power generation and distribution networks as well as financial networks, provide the critical infrastructure for the functioning of our societies and economies. The understanding of the dynamic behavior of such systems is also crucial to national security and prosperity. The identification of new connections between distinct network systems is the inspiration for the research in this dissertation. In particular, I answer two questions raised by Beckmann, McGuire, and Winsten (1956) and Copeland (1952) over half a century ago, which are, respectively, how are electric power flows related to transportation flows and does money flow like water or electricity? In addition, in this dissertation, I achieve the following: (1) I establish the relationships between transportation networks and three other classes of complex network systems: supply chain networks, electric power generation and transmission networks, and financial networks with intermediation. The establishment of such connections provides novel theoretical insights as well as new pricing mechanisms, and efficient computational methods. (2) I develop new modeling frameworks based on evolutionary variational inequality theory that capture the dynamics of such network systems in terms of the time-varying flows and incurred costs, prices, and, where applicable, profits. This dissertation studies the dynamics of such network systems by addressing both internal competition and/or cooperation, and external changes, such as varying costs and demands. (3) I focus, in depth, on electric power supply chains. By exploiting the relationships between transportation networks and electric power supply chains, I develop a large-scale network model that integrates electric power supply chains and fuel supply markets. The model captures both the economic transactions as well as the physical transmission constraints. The model is then applied to the New

  13. Electronic periscope for underground networks; Periscopio electronico para redes subterraneas

    Energy Technology Data Exchange (ETDEWEB)

    Araujo Filho, Edival Demetrio de [Companhia Energetica de Brasilia, DF (Brazil)]. E-mail: demetrio@ceb.com.br

    2000-07-01

    This paper aims at the perfection of the operational procedures adopted by the technician of Project and Underground Work Management of the Brasilia Energetic Company, Brazil, during the survey of the system duct bank characteristics (Organized formation of electro duct) . The execution of projects, reviews and budgets depend upon the verification of duct availability in the analysed network. The introduction of the device named Electronic Periscope proposed in this work aims at the efficiency of the field surveys.

  14. Traffic Rules in Electronic Financial Transactions (EFT Networks

    Directory of Open Access Journals (Sweden)

    Vedran Batoš

    2002-01-01

    Full Text Available This paper presents the traffic rules in the EFT (ElectronicFinancial Transactions networks, based on the implementationof the solution called Gold-Net developed and implementedby Euronet Worldwide Inc. Following the traffic rulesin EFT networks, out of its worldwide experience, Gold-Netevolved a comprehensive and expandable EFT network solutiondesigned to meet an institution's needs today and in the future.It is an ITM (Integrated Transaction Management solution,modular and expandable, and consists of a comprehensiveEFT software modules with ATM and POS driving capabilities.The combination of ATM management and the onlineconnection form the intercept processing control module. Asthe marketplace grows, this solution ensures that an ente1prisemay position itself for future growth and expanded service offerings.

  15. Toward a Theory of Industrial Supply Networks: A Multi-Level Perspective via Network Analysis

    Directory of Open Access Journals (Sweden)

    Yi Zuo

    2017-07-01

    Full Text Available In most supply chains (SCs, transaction relationships between suppliers and customers are commonly considered to be an extrapolation from a linear perspective. However, this traditional linear concept of an SC is egotistic and oversimplified and does not sufficiently reflect the complex and cyclical structure of supplier-customer relationships in current economic and industrial situations. The interactional relationships and topological characteristics between suppliers and customers should be analyzed using supply networks (SNs rather than traditional linear SCs. Therefore, this paper reconceptualizes SCs as SNs in complex adaptive systems (CAS, and presents three main contributions. First, we propose an integrated framework of CAS network by synthesizing multi-level network analysis from the network-, community- and vertex-perspective. The CAS perspective enables us to understand the advances of SN properties. Second, in order to emphasize the CAS properties of SNs, we conducted a real-world SN based on the Japanese industry and describe an advanced investigation of SN theory. The CAS properties help in enriching the SN theory, which can benefit SN management, community economics and industrial resilience. Third, we propose a quantitative metric of entropy to measure the complexity and robustness of SNs. The results not only support a specific understanding of the structural outcomes relevant to SNs, but also deliver efficient and effective support to the management and design of SNs.

  16. Morphological brain network assessed using graph theory and network filtration in deaf adults.

    Science.gov (United States)

    Kim, Eunkyung; Kang, Hyejin; Lee, Hyekyoung; Lee, Hyo-Jeong; Suh, Myung-Whan; Song, Jae-Jin; Oh, Seung-Ha; Lee, Dong Soo

    2014-09-01

    Prolonged deprivation of auditory input can change brain networks in pre- and postlingual deaf adults by brain-wide reorganization. To investigate morphological changes in these brains voxel-based morphometry, voxel-wise correlation with the primary auditory cortex, and whole brain network analyses using morphological covariance were performed in eight prelingual deaf, eleven postlingual deaf, and eleven hearing adults. Network characteristics based on graph theory and network filtration based on persistent homology were examined. Gray matter density in the primary auditor cortex was preserved in prelingual deafness, while it tended to decrease in postlingual deafness. Unlike postlingual, prelingual deafness showed increased bilateral temporal connectivity of the primary auditory cortex compared to the hearing adults. Of the graph theory-based characteristics, clustering coefficient, betweenness centrality, and nodal efficiency all increased in prelingual deafness, while all the parameters of postlingual deafness were similar to the hearing adults. Patterns of connected components changing during network filtration were different between prelingual deafness and hearing adults according to the barcode, dendrogram, and single linkage matrix representations, while these were the same in postlingual deafness. Nodes in fronto-limbic and left temporal components were closely coupled, and nodes in the temporo-parietal component were loosely coupled, in prelingual deafness. Patterns of connected components changing in postlingual deafness were the same as hearing adults. We propose that the preserved density of auditory cortex associated with increased connectivity in prelingual deafness, and closer coupling between certain brain areas, represent distinctive reorganization of auditory and related cortices compared with hearing or postlingual deaf adults. The differential network reorganization in the prelingual deaf adults could be related to the absence of auditory speech

  17. Up the ANTe: Understanding Entrepreneurial Leadership Learning through Actor-Network Theory

    Science.gov (United States)

    Smith, Sue; Kempster, Steve; Barnes, Stewart

    2017-01-01

    This article explores the role of educators in supporting the development of entrepreneurial leadership learning by creating peer learning networks of owner-managers of small businesses. Using actor-network theory, the authors think through the process of constructing and maintaining a peer learning network (conceived of as an actor-network) and…

  18. Methods of information theory and algorithmic complexity for network biology.

    Science.gov (United States)

    Zenil, Hector; Kiani, Narsis A; Tegnér, Jesper

    2016-03-01

    We survey and introduce concepts and tools located at the intersection of information theory and network biology. We show that Shannon's information entropy, compressibility and algorithmic complexity quantify different local and global aspects of synthetic and biological data. We show examples such as the emergence of giant components in Erdös-Rényi random graphs, and the recovery of topological properties from numerical kinetic properties simulating gene expression data. We provide exact theoretical calculations, numerical approximations and error estimations of entropy, algorithmic probability and Kolmogorov complexity for different types of graphs, characterizing their variant and invariant properties. We introduce formal definitions of complexity for both labeled and unlabeled graphs and prove that the Kolmogorov complexity of a labeled graph is a good approximation of its unlabeled Kolmogorov complexity and thus a robust definition of graph complexity. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. Nuclear charge radii: density functional theory meets Bayesian neural networks

    Science.gov (United States)

    Utama, R.; Chen, Wei-Chia; Piekarewicz, J.

    2016-11-01

    The distribution of electric charge in atomic nuclei is fundamental to our understanding of the complex nuclear dynamics and a quintessential observable to validate nuclear structure models. The aim of this study is to explore a novel approach that combines sophisticated models of nuclear structure with Bayesian neural networks (BNN) to generate predictions for the charge radii of thousands of nuclei throughout the nuclear chart. A class of relativistic energy density functionals is used to provide robust predictions for nuclear charge radii. In turn, these predictions are refined through Bayesian learning for a neural network that is trained using residuals between theoretical predictions and the experimental data. Although predictions obtained with density functional theory provide a fairly good description of experiment, our results show significant improvement (better than 40%) after BNN refinement. Moreover, these improved results for nuclear charge radii are supplemented with theoretical error bars. We have successfully demonstrated the ability of the BNN approach to significantly increase the accuracy of nuclear models in the predictions of nuclear charge radii. However, as many before us, we failed to uncover the underlying physics behind the intriguing behavior of charge radii along the calcium isotopic chain.

  20. The Contributions of Felix Bloch and W. V. Houston to the Electron Theory of Metals

    Science.gov (United States)

    Rorschach, H. E., Jr.

    1970-01-01

    Discusses the contributions of Bloch and Houston to the electron theory of metals. Contains (1) a biographical note on W. V. Houston, (2) a review of the development of the electron theory of metals, and (3) a discussion of gravitationally induced electric fields. Bibliography. (LC)

  1. Reflections on the Electron Theory of the Chemical Bond: 1900-1925.

    Science.gov (United States)

    Stranges, Anthony N.

    1984-01-01

    Traces the history of the electron theory of the chemical bond. Nineteenth-century ideas on electrical combination, early twentieth-century theories of electrical attraction, and the contribution of G. N. Lewis's shared electron pair are among the topics considered. (JN)

  2. Electron percolation in realistic models of carbon nanotube networks

    Science.gov (United States)

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

    2015-09-01

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

  3. Finding multiscale connectivity in our geospace observational system: Network analysis of total electron content

    Science.gov (United States)

    McGranaghan, Ryan M.; Mannucci, Anthony J.; Verkhoglyadova, Olga; Malik, Nishant

    2017-07-01

    We present the first complex network theory-based analysis of high-latitude total electron content (TEC) data, including dependencies on interplanetary magnetic field (IMF) clock angle and hemisphere. We examine several network measures to quantify the spatiotemporal correlation patterns in the TEC data for winter and summer months in 2016. We find that significant structure exists in the correlation patterns, distinguishing the dayside and nightside ionosphere, and specific features in the high latitudes such as the polar cap and auroral oval, including the cusp and ionospheric foot points of magnetospheric boundary layers. These features vary with the IMF, exhibiting a strong dependence on the north-south direction and generally larger variations during the winter months in both hemispheres. Our exploratory results suggest that network analysis of TEC data can be used to study characteristic ionospheric spatial scales at high latitudes, thereby extending the utility of these data. We explore mesoscale and large scale (greater than tens of kilometers and greater than hundreds of kilometers, respectively) as a function of winter/summer season, hemisphere, and IMF direction and conclude that the relative importance of different ionospheric scales is not a constant relationship. Together with an identification of important areas of future work, our findings provide a foundation for the application of network analysis techniques to ionospheric TEC. Our results suggest that network analysis can reveal new physical connections in the ionospheric system.

  4. THE USE OF ELECTRONIC SOCIAL NETWORKS IN SOCIAL AND EDUCATIONAL WORK WITH PUPILS

    OpenAIRE

    Natalia V. Oleksiuk; Lesya V. Lebedenko

    2015-01-01

    Electronic social networks are powerful means of communication for million registered users, because some social groups are gaining considerable popularity among pupils of secondary schools. The author believes that the use of electronic social networks is actual not just for training purposes, but also to implement the social and educational work in the school environment. In publication there have been reviewed electronic social networks, including business networks, comparison of their pro...

  5. A Theory of Decomposition of Complex Chemical Networks using the Hill Functions

    CERN Document Server

    Chikayama, Eisuke

    2014-01-01

    The design and synthesis of complex and large mimicked biochemical networks de novo is an unsolved problem in synthetic biology. To address this limitation without resorting to ad hoc computations and experiments, a predictive mathematical theory is required to reduce these complex chemical networks into natural physico-chemical expressions. Here we provide a mathematical theory that offers a physico-chemical expression for a large chemical network that is almost arbitrarily both nonlinear and complex. Unexpectedly, the theory demonstrates that such networks can be decomposed into reactions based solely on the Hill equation, a simple chemical logic gate. This theory, analogous to implemented electrical logic gates or functional algorithms in a computer, is proposed for implementing regulated sequences of functional chemical reactions, such as mimicked genes, transcriptional regulation, signal transduction, protein interaction, and metabolic networks, into an artificial designed chemical network.

  6. Actor-Network Theory and its role in understanding the implementation of information technology developments in healthcare.

    Science.gov (United States)

    Cresswell, Kathrin M; Worth, Allison; Sheikh, Aziz

    2010-11-01

    Actor-Network Theory (ANT) is an increasingly influential, but still deeply contested, approach to understand humans and their interactions with inanimate objects. We argue that health services research, and in particular evaluations of complex IT systems in health service organisations, may benefit from being informed by Actor-Network Theory perspectives. Despite some limitations, an Actor-Network Theory-based approach is conceptually useful in helping to appreciate the complexity of reality (including the complexity of organisations) and the active role of technology in this context. This can prove helpful in understanding how social effects are generated as a result of associations between different actors in a network. Of central importance in this respect is that Actor-Network Theory provides a lens through which to view the role of technology in shaping social processes. Attention to this shaping role can contribute to a more holistic appreciation of the complexity of technology introduction in healthcare settings. It can also prove practically useful in providing a theoretically informed approach to sampling (by drawing on informants that are related to the technology in question) and analysis (by providing a conceptual tool and vocabulary that can form the basis for interpretations). We draw on existing empirical work in this area and our ongoing work investigating the integration of electronic health record systems introduced as part of England's National Programme for Information Technology to illustrate salient points. Actor-Network Theory needs to be used pragmatically with an appreciation of its shortcomings. Our experiences suggest it can be helpful in investigating technology implementations in healthcare settings.

  7. Actor-Network Theory and its role in understanding the implementation of information technology developments in healthcare

    Directory of Open Access Journals (Sweden)

    Sheikh Aziz

    2010-11-01

    Full Text Available Abstract Background Actor-Network Theory (ANT is an increasingly influential, but still deeply contested, approach to understand humans and their interactions with inanimate objects. We argue that health services research, and in particular evaluations of complex IT systems in health service organisations, may benefit from being informed by Actor-Network Theory perspectives. Discussion Despite some limitations, an Actor-Network Theory-based approach is conceptually useful in helping to appreciate the complexity of reality (including the complexity of organisations and the active role of technology in this context. This can prove helpful in understanding how social effects are generated as a result of associations between different actors in a network. Of central importance in this respect is that Actor-Network Theory provides a lens through which to view the role of technology in shaping social processes. Attention to this shaping role can contribute to a more holistic appreciation of the complexity of technology introduction in healthcare settings. It can also prove practically useful in providing a theoretically informed approach to sampling (by drawing on informants that are related to the technology in question and analysis (by providing a conceptual tool and vocabulary that can form the basis for interpretations. We draw on existing empirical work in this area and our ongoing work investigating the integration of electronic health record systems introduced as part of England's National Programme for Information Technology to illustrate salient points. Summary Actor-Network Theory needs to be used pragmatically with an appreciation of its shortcomings. Our experiences suggest it can be helpful in investigating technology implementations in healthcare settings.

  8. Theory of semiconductor junction devices a textbook for electrical and electronic engineers

    CERN Document Server

    Leck, J H

    1967-01-01

    Theory of Semiconductor Junction Devices: A Textbook for Electrical and Electronic Engineers presents the simplified numerical computation of the fundamental electrical equations, specifically Poisson's and the Hall effect equations. This book provides the fundamental theory relevant for the understanding of semiconductor device theory. Comprised of 10 chapters, this book starts with an overview of the application of band theory to the special case of semiconductors, both intrinsic and extrinsic. This text then describes the electrical properties of conductivity, semiconductors, and Hall effe

  9. Network theory: key issues for the analysis of the "brain drain"

    Directory of Open Access Journals (Sweden)

    Diana Carolina Henao

    2012-12-01

    Full Text Available This paper offers an analysis of the brain drain from the perspective of the network theory. Some definitions and key concepts of the network theory have been discussed in relation to criteria and reasons that are taken into account by people with broad educational capital from developing countries who are involved in the research in different areas of knowledge and who seek to adapt to other scientific collaboration networks in the developed countries.

  10. Permanent Set of Cross-Linking Networks: Comparison of Theory with Molecular Dynamics Simulations

    DEFF Research Database (Denmark)

    Rottach, Dana R.; Curro, John G.; Budzien, Joanne

    2006-01-01

    The permanent set of cross-linking networks is studied by molecular dynamics. The uniaxial stress for a bead-spring polymer network is investigated as a function of strain and cross-link density history, where cross-links are introduced in unstrained and strained networks. The permanent set...... is found from the strain of the network after it returns to the state-of-ease where the stress is zero. The permanent set simulations are compared with theory using the independent network hypothesis, together with the various theoretical rubber elasticity theories: affine, phantom, constrained junction...

  11. Social Support Theory: A New Framework for Exploring Gender Differences in Business Owner Networks

    DEFF Research Database (Denmark)

    Neergaard, Helle

    The paper argues that to advance knowledge about small firm networks and consider the impact of gender, research should also consider the network experiences of women business owners. To engage in such research, this paper proposes a conceptual model of business owner networking which is informed...... by social support theory....

  12. An Introduction to Network Psychometrics: Relating Ising Network Models to Item Response Theory Models.

    Science.gov (United States)

    Marsman, M; Borsboom, D; Kruis, J; Epskamp, S; van Bork, R; Waldorp, L J; Maas, H L J van der; Maris, G

    2017-11-07

    In recent years, network models have been proposed as an alternative representation of psychometric constructs such as depression. In such models, the covariance between observables (e.g., symptoms like depressed mood, feelings of worthlessness, and guilt) is explained in terms of a pattern of causal interactions between these observables, which contrasts with classical interpretations in which the observables are conceptualized as the effects of a reflective latent variable. However, few investigations have been directed at the question how these different models relate to each other. To shed light on this issue, the current paper explores the relation between one of the most important network models-the Ising model from physics-and one of the most important latent variable models-the Item Response Theory (IRT) model from psychometrics. The Ising model describes the interaction between states of particles that are connected in a network, whereas the IRT model describes the probability distribution associated with item responses in a psychometric test as a function of a latent variable. Despite the divergent backgrounds of the models, we show a broad equivalence between them and also illustrate several opportunities that arise from this connection.

  13. A Simulation Study for Emergency/Disaster Management by Applying Complex Networks Theory

    Directory of Open Access Journals (Sweden)

    Li Jin

    2014-04-01

    Full Text Available Earthquakes, hurricanes, flooding and terrorist attacks pose a severe threat to our society. What’s more, when such a disaster happens, it can spread in a wide range with ubiquitous presence of a large-scale networked system. Therefore, the emergency/disaster management faces new challenges that the decision-makers have extra difficulties in perceiving the disaster dynamic spreading processes under this networked environment. This study tries to use the complex networks theory to tackle this complexity and the result shows the theory is a promising approach to support disaster/emergency management by focusing on simulation experiments of small world networks and scale free networks. The theory can be used to capture and describe the evolution mechanism, evolution discipline and overall behavior of a networked system. In particular, the complex networks theory is very strong at analyzing the complexity and dynamical changes of a networked system, which can improve the situation awareness after a disaster has occurred and help perceive its dynamic process, which is very important for high-quality decision making. In addition, this study also shows the use of the complex networks theory can build a visualized process to track the dynamic spreading of a disaster in a networked system.

  14. Application of Percolation Theory to Complex Interconnected Networks in Advanced Functional Composites

    Science.gov (United States)

    Hing, P.

    2011-11-01

    Percolation theory deals with the behaviour of connected clusters in a system. Originally developed for studying the flow of liquid in a porous body, the percolation theory has been extended to quantum computation and communication, entanglement percolation in quantum networks, cosmology, chaotic situations, properties of disordered solids, pandemics, petroleum industry, finance, control of traffic and so on. In this paper, the application of various models of the percolation theory to predict and explain the properties of a specially developed family of dense sintered and highly refractory Al2O3-W composites for potential application in high intensity discharge light sources such as high pressure sodium lamps and ceramic metal halide lamps are presented and discussed. The low cost, core-shell concept can be extended to develop functional composite materials with unusual dielectric, electrical, magnetic, superconducting, and piezoelectric properties starting from a classical insulator. The core shell concept can also be applied to develop catalysts with high specific surface areas with minimal amount of expensive platinium, palladium or rare earth nano structured materials for light harvesting, replicating natural photosynthesis, in synthetic zeolite composites for the cracking and separation of crude oil. There is also possibility of developing micron and nanosize Faraday cages for quantum devices, nano electronics and spintronics. The possibilities are limitless.

  15. Electromagnetic game modeling through Tensor Analysis of Networks and Game Theory

    Science.gov (United States)

    Maurice, Olivier; Reineix, Alain; Lalléchère, Sébastien

    2014-10-01

    A complex system involves events coming from natural behaviors. Whatever is the complicated face of machines, they are still far from the complexity of natural systems. Currently, economy is one of the rare science trying to find out some ways to model human behavior. These attempts involve game theory and psychology. Our purpose is to develop a formalism able to take in charge both game and hardware modeling. We first present the Tensorial Analysis of Networks, used for the material part of the system. Then, we detail the mathematical objects defined in order to describe the evolution of the system and its gaming side. To illustrate the discussion we consider the case of a drone whose electronic can be disturbed by a radar field, but this drone must fly as near as possible close to this radar.

  16. Theory and applications of free-electron vortex states

    Science.gov (United States)

    Bliokh, K. Y.; Ivanov, I. P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M. A.; Schattschneider, P.; Nori, F.; Verbeeck, J.

    2017-05-01

    Both classical and quantum waves can form vortices : entities with helical phase fronts and circulating current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translating theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur.

  17. Electron transmission through molecules and molecular layers: Theory and Simulations

    Science.gov (United States)

    Nitzan, Abraham

    2000-03-01

    Several aspects of electron transmission through molecular layers will be discussed. (a) The mechanism of electron tunneling through a narrow water barrier between two Pt(100) metal surfaces was studied by numerical simulations.[1] Assuming that the water configuration is static on the time scale of the electron motion, the tunneling probability show distinct resonance structures below the vacuum barrier. These resonances are shown to be associated with molecular cavities in which the electron is trapped between repulsive oxygen cores. The lifetimes of these resonances are found to be of the order 10 fs or less. (b) The concept of 'tunneling time' is revisited and this time is analyzed for a simple superexchange model of electron transfer.[2] This time is computed also for electron tunneling through water and its relation to the resonance features observed in that process and to their lifetime is discussed.[3] (c) Theoretical models that analyze thermal effects in resonance tunneling are presented.[4] References 1. U. Peskin, A. Edlund, I. Bar-On , M. Galperin and A. Nitzan, Transient resonance structures in electron tunneling through water, J. Chem. Phys. 111, 7558 (1999). 2. A. Nitzan, J. Jortner, J. Wilkie and M. Ratner, Tunneling time for electron transfer reactions, to be published. 3. M. Galperin and A. Nitzan, Tunneling time for electron transfer through water, to be published. 4. D. Segal, A. Nitzan, W. B. Davis, M. R. Wasielewski, and M. A. Ratner, Electron Transfer Rates in Bridged Molecular Systems II: A steady state analysis of coherent tunneling and thermal transitions, J. Phys. Chem., in press.

  18. Electronic Health Services: An Introduction to Theory and Application

    African Journals Online (AJOL)

    Information and communication technologies have made dramatic changes in our lives. Healthcare communities also made use of these technologies. Using computerized medical knowledge, electronic patients' information and telecommunications a lot of applications are now established throughout the world.

  19. Actor Network Theory Approach and its Application in Investigating Agricultural Climate Information System

    Directory of Open Access Journals (Sweden)

    Maryam Sharifzadeh

    2013-03-01

    Full Text Available Actor network theory as a qualitative approach to study complex social factors and process of socio-technical interaction provides new concepts and ideas to understand socio-technical nature of information systems. From the actor network theory viewpoint, agricultural climate information system is a network consisting of actors, actions and information related processes (production, transformation, storage, retrieval, integration, diffusion and utilization, control and management, and system mechanisms (interfaces and networks. Analysis of such systemsembody the identification of basic components and structure of the system (nodes –thedifferent sources of information production, extension, and users, and the understanding of how successfully the system works (interaction and links – in order to promote climate knowledge content and improve system performance to reach agricultural development. The present research attempted to introduce actor network theory as research framework based on network view of agricultural climate information system.

  20. Electron tomography reveals unbranched networks of actin filaments in lamellipodia.

    Science.gov (United States)

    Urban, Edit; Jacob, Sonja; Nemethova, Maria; Resch, Guenter P; Small, J Victor

    2010-05-01

    Eukaryotic cells can initiate movement using the forces exerted by polymerizing actin filaments to extend lamellipodial and filopodial protrusions. In the current model, actin filaments in lamellipodia are organized in a branched, dendritic network. We applied electron tomography to vitreously frozen 'live' cells, fixed cells and cytoskeletons, embedded in vitreous ice or in deep-negative stain. In lamellipodia from four cell types, including rapidly migrating fish keratocytes, we found that actin filaments are almost exclusively unbranched. The vast majority of apparent filament junctions proved to be overlapping filaments, rather than branched end-to-side junctions. Analysis of the tomograms revealed that actin filaments terminate at the membrane interface within a zone several hundred nanometres wide at the lamellipodium front, and yielded the first direct measurements of filament densities. Actin filament pairs were also identified as lamellipodium components and bundle precursors. These data provide a new structural basis for understanding actin-driven protrusion during cell migration.

  1. Manganese oxide microswitch for electronic memory based on neural networks

    Science.gov (United States)

    Ramesham, R.; Daud, T.; Moopenn, A.; Thakoor, A. P.; Khanna, S. K.

    1989-01-01

    A solid-state, resistance tailorable, programmable-once, binary, nonvolatile memory switch based on manganese oxide thin films is reported. MnO(x) exhibits irreversible memory switching from conducting (on) to insulating (off) state, with the off and on resistance ratio of greater than 10,000. The switching mechanism is current-triggered chemical transformation of a conductive MnO(2-Delta) to an insulating Mn2O3 state. The energy required for switching is of the order of 4-20 nJ/sq micron. The low switching energy, stability of the on and off states, and tailorability of the on state resistance make these microswitches well suited as programmable binary synapses in electronic associative memories based on neural network models.

  2. Electronic structure of EuN: Growth, spectroscopy, and theory

    DEFF Research Database (Denmark)

    Richter, J. H.; Ruck, B.J.; Simpson, M.

    2011-01-01

    and XES) at the nitrogen K edge are compared to several different theoretical models, namely, local spin density functional theory with Hubbard U corrections (LSDA+U), dynamic mean field theory (DMFT) in the Hubbard-I approximation, and quasiparticle self-consistent GW (QSGW) calculations. The DMFT...... and QSGW models capture the density of conduction band states better than does LSDA+U. Only the Hubbard-I model contains a correct description of the Eu 4f atomic multiplets and locates their energies relative to the band states, and we see some evidence in XAS for hybridization between the conduction band...

  3. Designing the Electronic Classroom: Applying Learning Theory and Ergonomic Design Principles.

    Science.gov (United States)

    Emmons, Mark; Wilkinson, Frances C.

    2001-01-01

    Applies learning theory and ergonomic principles to the design of effective learning environments for library instruction. Discusses features of electronic classroom ergonomics, including the ergonomics of physical space, environmental factors, and workstations; and includes classroom layouts. (Author/LRW)

  4. The Theory and Implementation of Electronic Voting Systems

    DEFF Research Database (Denmark)

    Damgård, Ivan Bjerre; Groth, Jens; Salomonsen, Gorm

    2002-01-01

    We describe the theory behind a practical voting scheme based on homomorphic encryption. We give an example of an ElGamal-style encryption scheme, which can be used as the underlying cryptosystem. Then, we present efficient honest verifier zero-knowledge proofs that make the messages in the voting...

  5. Theory and measurement of the electron cloud effect

    CERN Document Server

    Harkay, K C

    1999-01-01

    Photoelectrons produced through the interaction of synchrotron radiation and the vacuum chamber walls can be accelerated by a charged particle beam, acquiring sufficient energy to produce secondary electrons (SEs) in collisions with the walls. If the secondary-electron yield (SEY) coefficient of the wall material is greater than one, a runaway condition can develop. In addition to the SEY, the degree of amplification depends on the beam intensity and temporal distribution. As the electron cloud builds up along a train of stored bunches, a transverse perturbation of the head bunch can be communicated to trailing bunches in a wakefield-like interaction with the cloud. The electron cloud effect is especially of concern for the high-intensity PEP-II (SLAC) and KEK B-factories and at the Large Hadron Collider (LHC) at CERN. An initiative was undertaken at the Advanced Photon Source (APS) storage ring to characterize the electron cloud in order to provide realistic limits on critical input parameters in the models ...

  6. The Electronic Medical Records and Genomics (eMERGE) Network: past, present, and future

    National Research Council Canada - National Science Library

    Gottesman, Omri; Kuivaniemi, Helena; Tromp, Gerard; Faucett, W Andrew; Li, Rongling; Manolio, Teri A; Sanderson, Saskia C; Kannry, Joseph; Zinberg, Randi; Basford, Melissa A; Brilliant, Murray; Carey, David J; Chisholm, Rex L; Chute, Christopher G; Connolly, John J; Crosslin, David; Denny, Joshua C; Gallego, Carlos J; Haines, Jonathan L; Hakonarson, Hakon; Harley, John; Jarvik, Gail P; Kohane, Isaac; Kullo, Iftikhar J; Larson, Eric B; McCarty, Catherine; Ritchie, Marylyn D; Roden, Dan M; Smith, Maureen E; Böttinger, Erwin P; Williams, Marc S

    2013-01-01

    The Electronic Medical Records and Genomics Network is a National Human Genome Research Institute-funded consortium engaged in the development of methods and best practices for using the electronic...

  7. K-shell Analysis Reveals Distinct Functional Parts in an Electron Transfer Network and Its Implications for Extracellular Electron Transfer

    Directory of Open Access Journals (Sweden)

    Dewu eDing

    2016-04-01

    Full Text Available Shewanella oneidensis MR-1 is capable of extracellular electron transfer (EET and hence has attracted considerable attention. The EET pathways mainly consist of c-type cytochromes, along with some other proteins involved in electron transfer processes. By whole genome study and protein interactions inquisition, we constructed a large-scale electron transfer network containing 2276 interactions among 454 electron transfer related proteins in S. oneidensis MR-1. Using the k-shell decomposition method, we identified and analyzed distinct parts of the electron transfer network. We found that there was a negative correlation between the ks (k-shell values and the average DR_100 (disordered regions per 100 amino acids in every shell, which suggested that disordered regions of proteins played an important role during the formation and extension of the electron transfer network. Furthermore, proteins in the top three shells of the network are mainly located in the cytoplasm and inner membrane; these proteins can be responsible for transfer of electrons into the quinone pool in a wide variety of environmental conditions. In most of the other shells, proteins are broadly located throughout the five cellular compartments (cytoplasm, inner membrane, periplasm, outer membrane and extracellular, which ensures the important EET ability of S. oneidensis MR-1. Specifically, the fourth shell was responsible for EET and the c-type cytochromes in the remaining shells of the electron transfer network were involved in aiding EET. Taken together, these results show that there are distinct functional parts in the electron transfer network of S. oneidensis MR-1, and the EET processes could achieve high efficiency through cooperation through such an electron transfer network.

  8. The theory and practice of high resolution scanning electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Joy, D.C. (Tennessee Univ., Knoxville, TN (USA) Oak Ridge National Lab., TN (USA))

    1990-01-01

    Recent advances in instrumentation have produced the first commercial examples of what can justifiably be called High Resolution Scanning Electron Microscopes. The key components of such instruments are a cold field emission gun, a small-gap immersion probe-forming lens, and a clean dry-pumped vacuum. The performance of these microscopes is characterized by several major features including a spatial resolution, in secondary electron mode on solid specimens, which can exceed 1nm on a routine basis; an incident probe current density of the order of 10{sup 6} amps/cm{sup 2}; and the ability to maintain these levels of performance over an accelerating voltage range of from 1 to 30keV. This combination of high resolution, high probe current, low contamination and flexible electron-optical conditions provides many new opportunitites for the application of the SEM to materials science, physics, and the life sciences. 27 refs., 14 figs.

  9. Theory and practice of uncommon molecular electronic configurations.

    Science.gov (United States)

    Gryn'ova, Ganna; Coote, Michelle L; Corminboeuf, Clemence

    2015-01-01

    The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule's set of orbitals. Organic molecules that have open-shell ground states and interesting physicochemical properties, particularly those influencing their spin alignment, are of immense interest within the up-and-coming field of molecular electronics. In this advanced review, we scrutinize various qualitative rules of orbital occupation and spin alignment, viz., the aufbau principle, Hund's multiplicity rule, and dynamic spin polarization concept, through the prism of quantum mechanics. While such rules hold in selected simple cases, in general the spin state of a system depends on a combination of electronic factors that include Coulomb and Pauli repulsion, nuclear attraction, kinetic energy, orbital relaxation, and static correlation. A number of fascinating chemical systems with spin states that fluctuate between triplet and open-shell singlet, and are responsive to irradiation, pH, and other external stimuli, are highlighted. In addition, we outline a range of organic molecules with intriguing non-aufbau orbital configurations. In such quasi-closed-shell systems, the singly occupied molecular orbital (SOMO) is energetically lower than one or more doubly occupied orbitals. As a result, the SOMO is not affected by electron attachment to or removal from the molecule, and the products of such redox processes are polyradicals. These peculiar species possess attractive conductive and magnetic properties, and a number of them that have already been developed into molecular electronics applications are highlighted in this review. WIREs Comput Mol Sci 2015, 5:440-459. doi: 10.1002/wcms.1233 For further resources related to this article, please visit the WIREs website.

  10. Marcus Theory: Thermodynamics CAN Control the Kinetics of Electron Transfer Reactions

    Science.gov (United States)

    Silverstein, Todd P.

    2012-01-01

    Although it is generally true that thermodynamics do not influence kinetics, this is NOT the case for electron transfer reactions in solution. Marcus Theory explains why this is so, using straightforward physical chemical principles such as transition state theory, Arrhenius' Law, and the Franck-Condon Principle. Here the background and…

  11. Theory of Carbon Nanotube (CNT)-Based Electron Field Emitters

    Science.gov (United States)

    Bocharov, Grigory S.; Eletskii, Alexander V.

    2013-01-01

    Theoretical problems arising in connection with development and operation of electron field emitters on the basis of carbon nanotubes are reviewed. The physical aspects of electron field emission that underlie the unique emission properties of carbon nanotubes (CNTs) are considered. Physical effects and phenomena affecting the emission characteristics of CNT cathodes are analyzed. Effects given particular attention include: the electric field amplification near a CNT tip with taking into account the shape of the tip, the deviation from the vertical orientation of nanotubes and electrical field-induced alignment of those; electric field screening by neighboring nanotubes; statistical spread of the parameters of the individual CNTs comprising the cathode; the thermal effects resulting in degradation of nanotubes during emission. Simultaneous consideration of the above-listed effects permitted the development of the optimization procedure for CNT array in terms of the maximum reachable emission current density. In accordance with this procedure, the optimum inter-tube distance in the array depends on the region of the external voltage applied. The phenomenon of self-misalignment of nanotubes in an array has been predicted and analyzed in terms of the recent experiments performed. A mechanism of degradation of CNT-based electron field emitters has been analyzed consisting of the bombardment of the emitters by ions formed as a result of electron impact ionization of the residual gas molecules. PMID:28348342

  12. Theory of Carbon Nanotube (CNT-Based Electron Field Emitters

    Directory of Open Access Journals (Sweden)

    Alexander V. Eletskii

    2013-07-01

    Full Text Available Theoretical problems arising in connection with development and operation of electron field emitters on the basis of carbon nanotubes are reviewed. The physical aspects of electron field emission that underlie the unique emission properties of carbon nanotubes (CNTs are considered. Physical effects and phenomena affecting the emission characteristics of CNT cathodes are analyzed. Effects given particular attention include: the electric field amplification near a CNT tip with taking into account the shape of the tip, the deviation from the vertical orientation of nanotubes and electrical field-induced alignment of those; electric field screening by neighboring nanotubes; statistical spread of the parameters of the individual CNTs comprising the cathode; the thermal effects resulting in degradation of nanotubes during emission. Simultaneous consideration of the above-listed effects permitted the development of the optimization procedure for CNT array in terms of the maximum reachable emission current density. In accordance with this procedure, the optimum inter-tube distance in the array depends on the region of the external voltage applied. The phenomenon of self-misalignment of nanotubes in an array has been predicted and analyzed in terms of the recent experiments performed. A mechanism of degradation of CNT-based electron field emitters has been analyzed consisting of the bombardment of the emitters by ions formed as a result of electron impact ionization of the residual gas molecules.

  13. The Impact of Electronic Media Violence: Scientific Theory and Research

    OpenAIRE

    Huesmann, L. Rowell

    2007-01-01

    Since the early 1960s research evidence has been accumulating that suggests that exposure to violence in television, movies, video games, cell phones, and on the internet increases the risk of violent behavior on the viewer’s part just as growing up in an environment filled with real violence increases the risk of them behaving violently. In the current review this research evidence is critically assessed, and the psychological theory that explains why exposure to violence has detrimental eff...

  14. Dynamical Mean Field Theory and Electronic Structure Calculations

    OpenAIRE

    Chitra, R.; Kotliar, G.

    1999-01-01

    We formulate the dynamical mean field theory directly in the continuum. For a given definition of the local Green's function, we show the existence of a unique functional, whose stationary point gives the physical local Green's function of the solid. We present the diagrammatic rules to calculate it perturbatively in the interaction. Inspired by the success of dynamical mean field calculations for model Hamiltonian systems, we present approximations to the exact saddle point equations which m...

  15. Adaptive Selection of Cryptographic Protocols in Wireless Sensor Networks using Evolutionary Game Theory

    National Research Council Canada - National Science Library

    Arora, Srishti; Singh, Prabhjot; Gupta, Ashok Ji

    2016-01-01

    ... with contrary motives contend with each other. Various solutions basedon Game theory have been recently proposed which dealt with security aspects of wireless sensor networks(WSNs). However, th...

  16. Networking Theories on Giftedness--What We Can Learn from Synthesizing Renzulli's Domain General and Krutetskii's Mathematics-Specific Theory

    Science.gov (United States)

    Schindler, Maike; Rott, Benjamin

    2017-01-01

    Giftedness is an increasingly important research topic in educational sciences and mathematics education in particular. In this paper, we contribute to further theorizing mathematical giftedness through illustrating how networking processes can be conducted and illustrating their potential benefits. The paper focuses on two theories: Renzulli's…

  17. A social network model for the development of a 'Theory of Mind'

    Science.gov (United States)

    Harré, Michael S.

    2013-02-01

    A "Theory of Mind" is one of the most important skills we as humans have developed; It enables us to infer the mental states and intentions of others, build stable networks of relationships and it plays a central role in our psychological make-up and development. Findings published earlier this year have also shown that we as a species as well as each of us individually benefit from the enlargement of the underlying neuro-anatomical regions that support our social networks, mediated by our Theory of Mind that stabilises these networks. On the basis of such progress and that of earlier work, this paper draws together several different strands from psychology, behavioural economics and network theory in order to generate a novel theoretical representation of the development of our social-cognition and how subsequent larger social networks enables much of our cultural development but at the increased risk of mental disorders.

  18. Information theory in systems biology. Part I: Gene regulatory and metabolic networks.

    Science.gov (United States)

    Mousavian, Zaynab; Kavousi, Kaveh; Masoudi-Nejad, Ali

    2016-03-01

    "A Mathematical Theory of Communication", was published in 1948 by Claude Shannon to establish a framework that is now known as information theory. In recent decades, information theory has gained much attention in the area of systems biology. The aim of this paper is to provide a systematic review of those contributions that have applied information theory in inferring or understanding of biological systems. Based on the type of system components and the interactions between them, we classify the biological systems into 4 main classes: gene regulatory, metabolic, protein-protein interaction and signaling networks. In the first part of this review, we attempt to introduce most of the existing studies on two types of biological networks, including gene regulatory and metabolic networks, which are founded on the concepts of information theory. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Theory of electronic and optical properties of nanostructures

    Science.gov (United States)

    Hewageegana, Prabath S.

    "There is plenty of room at the bottom." This bold and prophetic statement from Nobel laureate Richard Feynman back in 1950s at Cal Tech launched the Nano Age and predicted, quite accurately, the explosion in nanoscience and nanotechnology. Now this is a fast developing area in both science and technology. Many think this would bring the greatest technological revolution in the history of mankind. To understand electronic and optical properties of nanostructures, the following problems have been studied. In particular, intensity of mid-infrared light transmitted through a metallic diffraction grating has been theoretically studied. It has been shown that for s-polarized light the enhancement of the transmitted light is much stronger than for p-polarized light. By tuning the parameters of the diffraction grating enhancement can be increased by a few orders of magnitude. The spatial distribution of the transmitted light is highly nonuniform with very sharp peaks, which have the spatial widths about 10 nm. Furthermore, under the ultra fast response in nanostructures, the following two related goals have been proved: (a) the two-photon coherent control allows one to dynamically control electron emission from randomly rough surfaces, which is localized within a few nanometers. (b) the photoelectron emission from metal nanostructures in the strong-field (quasistationary) regime allows coherent control with extremely high contrast, suitable for nanoelectronics applications. To investigate the electron transport properties of two dimensional carbon called graphene, a localization of an electron in a graphene quantum dot with a sharp boundary has been considered. It has been found that if the parameters of the confinement potential satisfy a special condition then the electron can be strongly localized in such quantum dot. Also the energy spectra of an electron in a graphene quantum ring has been analyzed. Furthermore, it has been shown that in a double dot system some

  20. Inventory theory, mode choice and network structure in freight transport

    NARCIS (Netherlands)

    Combes, F.; Tavasszy, L.A.

    2016-01-01

    In passenger transport, hub-and-spoke networks allow the transportation of small passenger flows with competitive frequencies, in a way that direct line networks cannot. Equivalently, in freight transport, it can be expected that small shipper-receiver flows of high added value commodities transit

  1. Actor/Actant-Network Theory as Emerging Methodology for ...

    African Journals Online (AJOL)

    4carolinebell@gmail.com

    2005-01-31

    Jan 31, 2005 ... to trace relationships, actors, actants and actor/actant-networks surrounding the Plastic Bags Regulations ... 2002); 'waste wars' in Ireland (Davies, 2003) and recycling in Norway (Eik & Brekke, 2003). ... as actors and actor-networks put the Plastic Bags Regulations into circulation as focal actant (token).

  2. Theory of nuclear excitation by electron capture for heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Gagyi-Palffy, A.

    2006-07-01

    The resonant process of nuclear excitation by electron capture (NEEC) in collisions involving highly-charged ions has been investigated theoretically. NEEC is a rare recombination process in which a free electron is captured into a bound shell of an ion with the simultaneous excitation of the nucleus. Total cross sections for NEEC followed by the radiative decay of the excited nucleus are presented for various collision systems. The possibility to observe the NEEC in scattering experiments with trapped or stored ions was discussed focusing on the cases with the largest calculated resonance strength. As the photons emitted in different channels of the electron recombination process are indistinguishable in the total cross section, the interference between NEEC followed by the radiative decay of the nucleus and radiative recombination was investigated. The angular distribution of the emitted photons in the recombination process provides means to discern the two processes. Angular differential cross sections for the emitted photons in the case of E2 nuclear transitions were presented for several heavy elements. (orig.)

  3. Functional Organization of the Action Observation Network in Autism: A Graph Theory Approach.

    Directory of Open Access Journals (Sweden)

    Kaat Alaerts

    Full Text Available The ability to recognize, understand and interpret other's actions and emotions has been linked to the mirror system or action-observation-network (AON. Although variations in these abilities are prevalent in the neuro-typical population, persons diagnosed with autism spectrum disorders (ASD have deficits in the social domain and exhibit alterations in this neural network.Here, we examined functional network properties of the AON using graph theory measures and region-to-region functional connectivity analyses of resting-state fMRI-data from adolescents and young adults with ASD and typical controls (TC.Overall, our graph theory analyses provided convergent evidence that the network integrity of the AON is altered in ASD, and that reductions in network efficiency relate to reductions in overall network density (i.e., decreased overall connection strength. Compared to TC, individuals with ASD showed significant reductions in network efficiency and increased shortest path lengths and centrality. Importantly, when adjusting for overall differences in network density between ASD and TC groups, participants with ASD continued to display reductions in network integrity, suggesting that also network-level organizational properties of the AON are altered in ASD.While differences in empirical connectivity contributed to reductions in network integrity, graph theoretical analyses provided indications that also changes in the high-level network organization reduced integrity of the AON.

  4. Functional Organization of the Action Observation Network in Autism: A Graph Theory Approach.

    Science.gov (United States)

    Alaerts, Kaat; Geerlings, Franca; Herremans, Lynn; Swinnen, Stephan P; Verhoeven, Judith; Sunaert, Stefan; Wenderoth, Nicole

    2015-01-01

    The ability to recognize, understand and interpret other's actions and emotions has been linked to the mirror system or action-observation-network (AON). Although variations in these abilities are prevalent in the neuro-typical population, persons diagnosed with autism spectrum disorders (ASD) have deficits in the social domain and exhibit alterations in this neural network. Here, we examined functional network properties of the AON using graph theory measures and region-to-region functional connectivity analyses of resting-state fMRI-data from adolescents and young adults with ASD and typical controls (TC). Overall, our graph theory analyses provided convergent evidence that the network integrity of the AON is altered in ASD, and that reductions in network efficiency relate to reductions in overall network density (i.e., decreased overall connection strength). Compared to TC, individuals with ASD showed significant reductions in network efficiency and increased shortest path lengths and centrality. Importantly, when adjusting for overall differences in network density between ASD and TC groups, participants with ASD continued to display reductions in network integrity, suggesting that also network-level organizational properties of the AON are altered in ASD. While differences in empirical connectivity contributed to reductions in network integrity, graph theoretical analyses provided indications that also changes in the high-level network organization reduced integrity of the AON.

  5. Bosch automotive electrics and automotive electronics systems and components, networking and hybrid drive

    CERN Document Server

    2014-01-01

    The significance of electrical and electronic systems has increased considerably in the last few years and this trend is set to continue. The characteristics feature of innovative systems is the fact that they can work together in a network. This requires powerful bus systems that the electronic control units can use to exchange information. Networking and the various bus systems used in motor vehicles are the prominent new topic in the 5th edition of the "Automotive Electric, Automotive Electronics" technical manual. The existing chapters have also been updated, so that this new edition brings the reader up to date on the subjects of electrical and electronic systems in the motor vehicle. Content Electrical and electronical systems – Basic principles of networking - Examples of networked vehicles – Bus systems – Architecture of electronic systems – Mechatronics – Elektronics – Electronic control Units – Software – Sensors – Actuators – Hybrid drives – Vehicle electrical system – Start...

  6. Modern electronic structure theory and applications in organic chemistry

    CERN Document Server

    Davidson, ER

    1997-01-01

    This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is n

  7. Improving the accuracy of Møller-Plesset perturbation theory with neural networks

    Science.gov (United States)

    McGibbon, Robert T.; Taube, Andrew G.; Donchev, Alexander G.; Siva, Karthik; Hernández, Felipe; Hargus, Cory; Law, Ka-Hei; Klepeis, John L.; Shaw, David E.

    2017-10-01

    Noncovalent interactions are of fundamental importance across the disciplines of chemistry, materials science, and biology. Quantum chemical calculations on noncovalently bound complexes, which allow for the quantification of properties such as binding energies and geometries, play an essential role in advancing our understanding of, and building models for, a vast array of complex processes involving molecular association or self-assembly. Because of its relatively modest computational cost, second-order Møller-Plesset perturbation (MP2) theory is one of the most widely used methods in quantum chemistry for studying noncovalent interactions. MP2 is, however, plagued by serious errors due to its incomplete treatment of electron correlation, especially when modeling van der Waals interactions and π-stacked complexes. Here we present spin-network-scaled MP2 (SNS-MP2), a new semi-empirical MP2-based method for dimer interaction-energy calculations. To correct for errors in MP2, SNS-MP2 uses quantum chemical features of the complex under study in conjunction with a neural network to reweight terms appearing in the total MP2 interaction energy. The method has been trained on a new data set consisting of over 200 000 complete basis set (CBS)-extrapolated coupled-cluster interaction energies, which are considered the gold standard for chemical accuracy. SNS-MP2 predicts gold-standard binding energies of unseen test compounds with a mean absolute error of 0.04 kcal mol-1 (root-mean-square error 0.09 kcal mol-1), a 6- to 7-fold improvement over MP2. To the best of our knowledge, its accuracy exceeds that of all extant density functional theory- and wavefunction-based methods of similar computational cost, and is very close to the intrinsic accuracy of our benchmark coupled-cluster methodology itself. Furthermore, SNS-MP2 provides reliable per-conformation confidence intervals on the predicted interaction energies, a feature not available from any alternative method.

  8. Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.

    Science.gov (United States)

    Domingo, Luis R

    2016-09-30

    A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.

  9. A Brief Historical Introduction to Euler's Formula for Polyhedra, Topology, Graph Theory and Networks

    Science.gov (United States)

    Debnath, Lokenath

    2010-01-01

    This article is essentially devoted to a brief historical introduction to Euler's formula for polyhedra, topology, theory of graphs and networks with many examples from the real-world. Celebrated Konigsberg seven-bridge problem and some of the basic properties of graphs and networks for some understanding of the macroscopic behaviour of real…

  10. A Social Network Perspective on Teacher Collaboration in Schools: Theory, Methodology, and Applications

    Science.gov (United States)

    Moolenaar, Nienke M.

    2012-01-01

    An emerging trend in educational research is the use of social network theory and methodology to understand how teacher collaboration can support or constrain teaching, learning, and educational change. This article provides a critical synthesis of educational literature on school social networks among educators to advance our understanding of the…

  11. A social network perspective on teacher collaboration in schools: Theory, methodology, and applications

    NARCIS (Netherlands)

    Moolenaar, Nienke

    2012-01-01

    An emerging trend in educational research is the use of social network theory and methodology to understand how teacher collaboration can support or constrain teaching, learning, and educational change. This article provides a critical synthesis of educational literature on school social networks

  12. Untangling Word Webs: Graph Theory and the Notion of Density in Second Language Word Association Networks.

    Science.gov (United States)

    Wilks, Clarissa; Meara, Paul

    2002-01-01

    Examines the implications of the metaphor of the vocabulary network. Takes a formal approach to the exploration of this metaphor by applying the principles of graph theory to word association data to compare the relative densities of the first language and second language lexical networks. (Author/VWL)

  13. In search of a network theory of innovations: relations, positions, and perspectives

    NARCIS (Netherlands)

    Leydesdorff, L.; Ahrweiler, P.

    2014-01-01

    As a complement to Nelson and Winter's (1977) article titled "In Search of a Useful Theory of Innovation," a sociological perspective on innovation networks can be elaborated using Luhmann's social systems theory, on the one hand, and Latour's "sociology of translations," on the other. Because of a

  14. Hydrodynamic theory for quantum plasmonics: Linear-response dynamics of the inhomogeneous electron gas

    DEFF Research Database (Denmark)

    Yan, Wei

    2015-01-01

    We investigate the hydrodynamic theory of metals, offering systematic studies of the linear-response dynamics for an inhomogeneous electron gas. We include the quantum functional terms of the Thomas-Fermi kinetic energy, the von Weizsa¨cker kinetic energy, and the exchange-correlation Coulomb...... energies under the local density approximation. The advantages, limitations, and possible improvements of the hydrodynamic theory are transparently demonstrated. The roles of various parameters in the theory are identified. We anticipate that the hydrodynamic theory can be applied to investigate the linear...

  15. Modern quantum chemistry introduction to advanced electronic structure theory

    CERN Document Server

    Szabo, Attila

    1996-01-01

    The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an intr

  16. Theory of fractional order elements based impedance matching networks

    KAUST Repository

    Radwan, Ahmed G.

    2011-03-01

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

  17. Toward a generalized theory of epidemic awareness in social networks

    Science.gov (United States)

    Wu, Qingchu; Zhu, Wenfang

    We discuss the dynamics of a susceptible-infected-susceptible (SIS) model with local awareness in networks. Individual awareness to the infectious disease is characterized by a general function of epidemic information in its neighborhood. We build a high-accuracy approximate equation governing the spreading dynamics and derive an approximate epidemic threshold above which the epidemic spreads over the whole network. Our results extend the previous work and show that the epidemic threshold is dependent on the awareness function in terms of one infectious neighbor. Interestingly, when a pow-law awareness function is chosen, the epidemic threshold can emerge in infinite networks.

  18. The impact of electronic media violence: scientific theory and research.

    Science.gov (United States)

    Huesmann, L Rowell

    2007-12-01

    Since the early 1960s, research evidence has been accumulating that suggests that exposure to violence in television, movies, video games, cell phones, and on the Internet increases the risk of violent behavior on the viewer's part, just as growing up in an environment filled with real violence increases the risk of them behaving violently. In the current review this research evidence is critically assessed and the psychological theory that explains why exposure to violence has detrimental effects for both the short and long-term is elaborated. Finally the size of the "media violence effect" is compared with some other well-known threats to society to estimate how important a threat it should be considered.

  19. The Impact of Electronic Media Violence: Scientific Theory and Research

    Science.gov (United States)

    Huesmann, L. Rowell

    2009-01-01

    Since the early 1960s research evidence has been accumulating that suggests that exposure to violence in television, movies, video games, cell phones, and on the internet increases the risk of violent behavior on the viewer’s part just as growing up in an environment filled with real violence increases the risk of them behaving violently. In the current review this research evidence is critically assessed, and the psychological theory that explains why exposure to violence has detrimental effects for both the short run and long run is elaborated. Finally, the size of the “media violence effect” is compared with some other well known threats to society to estimate how important a threat it should be considered. PMID:18047947

  20. Animal Social Network Theory Can Help Wildlife Conservation

    NARCIS (Netherlands)

    Snijders, Lysanne; Blumstein, Daniel T.; Stanley, Christina R.; Franks, Daniel W.

    2017-01-01

    Many animals preferentially associate with certain other individuals. This social structuring can influence how populations respond to changes to their environment, thus making network analysis a promising technique for understanding, predicting, and potentially manipulating population dynamics.

  1. Self-assembled three dimensional network designs for soft electronics

    Science.gov (United States)

    Jang, Kyung-In; Li, Kan; Chung, Ha Uk; Xu, Sheng; Jung, Han Na; Yang, Yiyuan; Kwak, Jean Won; Jung, Han Hee; Song, Juwon; Yang, Ce; Wang, Ao; Liu, Zhuangjian; Lee, Jong Yoon; Kim, Bong Hoon; Kim, Jae-Hwan; Lee, Jungyup; Yu, Yongjoon; Kim, Bum Jun; Jang, Hokyung; Yu, Ki Jun; Kim, Jeonghyun; Lee, Jung Woo; Jeong, Jae-Woong; Song, Young Min; Huang, Yonggang; Zhang, Yihui; Rogers, John A.

    2017-06-01

    Low modulus, compliant systems of sensors, circuits and radios designed to intimately interface with the soft tissues of the human body are of growing interest, due to their emerging applications in continuous, clinical-quality health monitors and advanced, bioelectronic therapeutics. Although recent research establishes various materials and mechanics concepts for such technologies, all existing approaches involve simple, two-dimensional (2D) layouts in the constituent micro-components and interconnects. Here we introduce concepts in three-dimensional (3D) architectures that bypass important engineering constraints and performance limitations set by traditional, 2D designs. Specifically, open-mesh, 3D interconnect networks of helical microcoils formed by deterministic compressive buckling establish the basis for systems that can offer exceptional low modulus, elastic mechanics, in compact geometries, with active components and sophisticated levels of functionality. Coupled mechanical and electrical design approaches enable layout optimization, assembly processes and encapsulation schemes to yield 3D configurations that satisfy requirements in demanding, complex systems, such as wireless, skin-compatible electronic sensors.

  2. Self-assembled three dimensional network designs for soft electronics

    Science.gov (United States)

    Jang, Kyung-In; Li, Kan; Chung, Ha Uk; Xu, Sheng; Jung, Han Na; Yang, Yiyuan; Kwak, Jean Won; Jung, Han Hee; Song, Juwon; Yang, Ce; Wang, Ao; Liu, Zhuangjian; Lee, Jong Yoon; Kim, Bong Hoon; Kim, Jae-Hwan; Lee, Jungyup; Yu, Yongjoon; Kim, Bum Jun; Jang, Hokyung; Yu, Ki Jun; Kim, Jeonghyun; Lee, Jung Woo; Jeong, Jae-Woong; Song, Young Min; Huang, Yonggang; Zhang, Yihui; Rogers, John A.

    2017-01-01

    Low modulus, compliant systems of sensors, circuits and radios designed to intimately interface with the soft tissues of the human body are of growing interest, due to their emerging applications in continuous, clinical-quality health monitors and advanced, bioelectronic therapeutics. Although recent research establishes various materials and mechanics concepts for such technologies, all existing approaches involve simple, two-dimensional (2D) layouts in the constituent micro-components and interconnects. Here we introduce concepts in three-dimensional (3D) architectures that bypass important engineering constraints and performance limitations set by traditional, 2D designs. Specifically, open-mesh, 3D interconnect networks of helical microcoils formed by deterministic compressive buckling establish the basis for systems that can offer exceptional low modulus, elastic mechanics, in compact geometries, with active components and sophisticated levels of functionality. Coupled mechanical and electrical design approaches enable layout optimization, assembly processes and encapsulation schemes to yield 3D configurations that satisfy requirements in demanding, complex systems, such as wireless, skin-compatible electronic sensors. PMID:28635956

  3. Self-assembled three dimensional network designs for soft electronics.

    Science.gov (United States)

    Jang, Kyung-In; Li, Kan; Chung, Ha Uk; Xu, Sheng; Jung, Han Na; Yang, Yiyuan; Kwak, Jean Won; Jung, Han Hee; Song, Juwon; Yang, Ce; Wang, Ao; Liu, Zhuangjian; Lee, Jong Yoon; Kim, Bong Hoon; Kim, Jae-Hwan; Lee, Jungyup; Yu, Yongjoon; Kim, Bum Jun; Jang, Hokyung; Yu, Ki Jun; Kim, Jeonghyun; Lee, Jung Woo; Jeong, Jae-Woong; Song, Young Min; Huang, Yonggang; Zhang, Yihui; Rogers, John A

    2017-06-21

    Low modulus, compliant systems of sensors, circuits and radios designed to intimately interface with the soft tissues of the human body are of growing interest, due to their emerging applications in continuous, clinical-quality health monitors and advanced, bioelectronic therapeutics. Although recent research establishes various materials and mechanics concepts for such technologies, all existing approaches involve simple, two-dimensional (2D) layouts in the constituent micro-components and interconnects. Here we introduce concepts in three-dimensional (3D) architectures that bypass important engineering constraints and performance limitations set by traditional, 2D designs. Specifically, open-mesh, 3D interconnect networks of helical microcoils formed by deterministic compressive buckling establish the basis for systems that can offer exceptional low modulus, elastic mechanics, in compact geometries, with active components and sophisticated levels of functionality. Coupled mechanical and electrical design approaches enable layout optimization, assembly processes and encapsulation schemes to yield 3D configurations that satisfy requirements in demanding, complex systems, such as wireless, skin-compatible electronic sensors.

  4. Residual Deconvolutional Networks for Brain Electron Microscopy Image Segmentation.

    Science.gov (United States)

    Fakhry, Ahmed; Zeng, Tao; Ji, Shuiwang

    2017-02-01

    Accurate reconstruction of anatomical connections between neurons in the brain using electron microscopy (EM) images is considered to be the gold standard for circuit mapping. A key step in obtaining the reconstruction is the ability to automatically segment neurons with a precision close to human-level performance. Despite the recent technical advances in EM image segmentation, most of them rely on hand-crafted features to some extent that are specific to the data, limiting their ability to generalize. Here, we propose a simple yet powerful technique for EM image segmentation that is trained end-to-end and does not rely on prior knowledge of the data. Our proposed residual deconvolutional network consists of two information pathways that capture full-resolution features and contextual information, respectively. We showed that the proposed model is very effective in achieving the conflicting goals in dense output prediction; namely preserving full-resolution predictions and including sufficient contextual information. We applied our method to the ongoing open challenge of 3D neurite segmentation in EM images. Our method achieved one of the top results on this open challenge. We demonstrated the generality of our technique by evaluating it on the 2D neurite segmentation challenge dataset where consistently high performance was obtained. We thus expect our method to generalize well to other dense output prediction problems.

  5. [Attachment theory and baby slings/carriers: technological network formation].

    Science.gov (United States)

    Lu, Zxy-Yann Jane; Lin, Wan-Shiuan

    2011-12-01

    Healthcare providers recognize the important role played by attachment theory in explaining the close relationship between mental health and social behavior in mothers and their children. This paper uses attachment theory in a socio-cultural context to ascertain the mechanism by which baby slings/carriers, a new technology, produced and reproduced the scientific motherhood. It further applies a social history of technology perspective to understand how baby carriers and attachment theory are socially constructed and historically contingent on three major transformations. These transformations include the use of attachment theory-based baby carriers to further scientific motherhood; the use of baby slings/carriers to further the medicalization of breastfeeding and enhance mother-infant attachment; and the use of baby slings/carriers to transform woman's identities by integrating scientific motherhood, independence and fashion. Implications for nursing clinical policy are suggested.

  6. Leveraging percolation theory to single out influential spreaders in networks

    Science.gov (United States)

    Radicchi, Filippo; Castellano, Claudio

    2016-06-01

    Among the consequences of the disordered interaction topology underlying many social, technological, and biological systems, a particularly important one is that some nodes, just because of their position in the network, may have a disproportionate effect on dynamical processes mediated by the complex interaction pattern. For example, the early adoption of a commercial product by an opinion leader in a social network may change its fate or just a few superspreaders may determine the virality of a meme in social media. Despite many recent efforts, the formulation of an accurate method to optimally identify influential nodes in complex network topologies remains an unsolved challenge. Here, we present the exact solution of the problem for the specific, but highly relevant, case of the susceptible-infected-removed (SIR) model for epidemic spreading at criticality. By exploiting the mapping between bond percolation and the static properties of the SIR model, we prove that the recently introduced nonbacktracking centrality is the optimal criterion for the identification of influential spreaders in locally tree-like networks at criticality. By means of simulations on synthetic networks and on a very extensive set of real-world networks, we show that the nonbacktracking centrality is a highly reliable metric to identify top influential spreaders also in generic graphs not embedded in space and for noncritical spreading.

  7. Leveraging percolation theory to single out influential spreaders in networks.

    Science.gov (United States)

    Radicchi, Filippo; Castellano, Claudio

    2016-06-01

    Among the consequences of the disordered interaction topology underlying many social, technological, and biological systems, a particularly important one is that some nodes, just because of their position in the network, may have a disproportionate effect on dynamical processes mediated by the complex interaction pattern. For example, the early adoption of a commercial product by an opinion leader in a social network may change its fate or just a few superspreaders may determine the virality of a meme in social media. Despite many recent efforts, the formulation of an accurate method to optimally identify influential nodes in complex network topologies remains an unsolved challenge. Here, we present the exact solution of the problem for the specific, but highly relevant, case of the susceptible-infected-removed (SIR) model for epidemic spreading at criticality. By exploiting the mapping between bond percolation and the static properties of the SIR model, we prove that the recently introduced nonbacktracking centrality is the optimal criterion for the identification of influential spreaders in locally tree-like networks at criticality. By means of simulations on synthetic networks and on a very extensive set of real-world networks, we show that the nonbacktracking centrality is a highly reliable metric to identify top influential spreaders also in generic graphs not embedded in space and for noncritical spreading.

  8. Graph Theory-Based Pinning Synchronization of Stochastic Complex Dynamical Networks.

    Science.gov (United States)

    Li, Xiao-Jian; Yang, Guang-Hong

    2017-02-01

    This paper is concerned with the adaptive pinning synchronization problem of stochastic complex dynamical networks (CDNs). Based on algebraic graph theory and Lyapunov theory, pinning controller design conditions are derived, and the rigorous convergence analysis of synchronization errors in the probability sense is also conducted. Compared with the existing results, the topology structures of stochastic CDN are allowed to be unknown due to the use of graph theory. In particular, it is shown that the selection of nodes for pinning depends on the unknown lower bounds of coupling strengths. Finally, an example on a Chua's circuit network is given to validate the effectiveness of the theoretical results.

  9. Breakdown of Traditional Many-Body Theories for Correlated Electrons.

    Science.gov (United States)

    Gunnarsson, O; Rohringer, G; Schäfer, T; Sangiovanni, G; Toschi, A

    2017-08-04

    Starting from the (Hubbard) model of an atom, we demonstrate that the uniqueness of the mapping from the interacting to the noninteracting Green function, G→G_{0}, is strongly violated, by providing numerous explicit examples of different G_{0} leading to the same physical G. We argue that there are indeed infinitely many such G_{0}, with numerous crossings with the physical solution. We show that this rich functional structure is directly related to the divergence of certain classes of (irreducible vertex) diagrams, with important consequences for traditional many-body physics based on diagrammatic expansions. Physically, we ascribe the onset of these highly nonperturbative manifestations to the progressive suppression of the charge susceptibility induced by the formation of local magnetic moments and/or resonating valence bond (RVB) states in strongly correlated electron systems.

  10. Gyrokinetic stability theory of electron-positron plasmas

    CERN Document Server

    Helander, Per

    2016-01-01

    The linear gyrokinetic stability properties of magnetically confined electron-positron plasmas are investigated in the parameter regime most likely to be relevant for the first laboratory experiments involving such plasmas, where the density is small enough that collisions can be ignored and the Debye length substantially exceeds the gyroradius. Although the plasma beta is very small, electromagnetic effects are retained, but magnetic compressibility can be neglected. The work of a previous publication (Helander, 2014) is thus extended to include electromagnetic instabilities, which are of importance in closed-field-line configurations, where such instabilities can occur at arbitrarily low pressure. It is found that gyrokinetic instabilities are completely absent if the magnetic field is homogeneous: any instability must involve magnetic curvature or shear. Furthermore, in dipole magnetic fields, the stability threshold for interchange modes with wavelengths exceeding the Debye radius coincides with that in i...

  11. Nonlinear theory of short-wavelength free-electron lasers

    Science.gov (United States)

    Freund, H. P.

    1995-11-01

    The nonlinear evolution of free-electron laser (FEL) amplifiers is studied for infrared and shorter wavelengths. The configuration of interest consists in the propagation of an energetic electron beam through a drift tube in the presence of a periodic wiggler magnetic field with planar symmetry. A three-dimensional formulation is derived in which the electromagnetic field is represented as an expansion of Gaussian optical modes. Since the wiggler model is characterized by planar symmetry, the Gauss-Hermite modes are used for this purpose. A set of nonlinear differential equations is derived for the evolution of the amplitude and phase of each mode, and they are solved simultaneously in conjunction with the three-dimensional Lorentz force equations for an ensemble of electrons in the presence of the magneto-static wiggler, self-electric and self-magnetic fields due to the charge and current distributions of the beam, and the electromagnetic fields. It is important to note that no wiggler average is used in the integration of the electron trajectories. This permits the self-consistent modeling of effects associated with (1) the injection of the beam into the wiggler, (2) emittance growth due to inhomogeneities in the wiggler and radiation fields as well as due to the self-fields, (3) the effect of wiggler imperfections, and (4) betatron oscillations. The optical guiding of the radiation field is implicitly included in the formulation. This approach has important practical advantages in analyzing FELs, since it is necessary only to characterize the beam upon injection into the wiggler, and the subsequent evolution is treated self-consistently. Numerical simulations are performed for two examples corresponding to an infrared FEL at wavelengths near 3.5 μm, and an x-ray FEL operating in the neighborhood of 1.4 Å wavelengths corresponding to the proposed linear coherent light source (LCLS) at the Stanford Linear Accelerator Center. Results for both cases indicate that

  12. Topology Zero: Advancing Theory and Experimentation for Power Electronics Education

    Science.gov (United States)

    Luchino, Federico

    For decades, power electronics education has been based on the fundamentals of three basic topologies: buck, boost, and buck-boost. This thesis presents the analytical framework for the Topology Zero, a general circuit topology that integrates the basic topologies and provides significant insight into the behaviour of converters. As demonstrated, many topologies are just particular cases of the Topology Zero, an important contribution towards the understanding, integration, and conceptualization of topologies. The investigation includes steady-state, small-signal, and frequency response analysis. The Topology Zero is physically implemented as an educational system. Experimental results are presented to show control applications and power losses analysis using the educational system. The steady-state and dynamic analyses of the Topology Zero provide profuse proof of its suitability as an integrative topology, and of its ability to be indirectly controlled. As well, the implementation of the Topology Zero within an experimentation system is explained and application examples are provided.

  13. Electrical conductivity of a silicone network upon electron irradiation: influence of formulation

    Science.gov (United States)

    Roggero, A.; Dantras, E.; Paulmier, T.; Tonon, C.; Lewandowski, S.; Dagras, S.; Payan, D.

    2016-12-01

    In this study, the electrical conductivity of a silicone elastomer filled with inorganic fillers was investigated upon electron irradiation. Neat samples consisting of the isolated polysiloxane matrix (with no fillers) were studied in parallel to identify the filler contribution to this evolution. It was shown that exposure to 400 keV electron doses induced a decrease in electrical conductivity for both the filled and neat materials. This decrease was much more pronounced with the filled samples than with the neat ones. Moreover, the activation energy of electrical conductivity (Arrhenius behaviour) doubled in the filled case, while it varied only weakly for the neat case. In light of these results, structure-property relationships were proposed on the basis of the radiation-induced crosslink processes to which this material is subject. In the framework of electronic percolation theory, it is suggested that the radiation-induced formation of SiO3 crosslinks in the polysiloxane network and SiO4 crosslinks at filler-matrix interfaces affects the percolation path of the material, which can be simply modelled by a network of resistors in series. On one hand, their densification increases the overall resistance of the percolation path, which results in the observed decrease of effective electrical conductivity. On the other hand, the steep increase in activation energy in the filled material attributes to the SiO4 crosslinks becoming the most restrictive barrier along the percolation path. In spite of the misleading likeness of electrical conductivities in the pristine state, this study presented evidence that silicone formulation can affect the evolution of electrical properties in radiative environments. To illustrate this conclusion, the use of this material in space applications, especially when directly exposed to the radiative space environment, was discussed. The decrease in electrical conductivity was associated with a progressively increasing risk for the

  14. Mixed quantum-classical dynamics using collective electronic variables: A better alternative to electronic friction theories

    CERN Document Server

    Ryabinkin, Ilya G

    2016-01-01

    An accurate description of nonadiabatic dynamics of molecular species on metallic surfaces poses a serious computational challenge associated with a multitude of closely-spaced electronic states. We propose a mixed quantum-classical scheme that addresses this challenge by introducing collective electronic variables. These variables are defined through analytic block-diagonalization applied to the time-dependent Hamiltonian matrix governing the electronic dynamics. We compare our scheme with the Ehrenfest approach and with a full-memory electronic friction model on a one-dimensional "adatom + atomic chain" model. Our simulations demonstrate that collective-mode dynamics with only few (2-3) electronic variables is robust and can describe a variety of situations: from a chemisorbed atom on an insulator to an atom on a metallic surface. Our molecular model also reveals that the friction approach is prone to unpredictable and catastrophic failures.

  15. Asymptotic theory for the dynamic of networks with heterogenous social capital allocation

    CERN Document Server

    Ubaldi, Enrico; Karsai, Márton; Vezzani, Alessandro; Burioni, Raffaella; Vespignani, Alessandro

    2015-01-01

    The structure and dynamic of social network are largely determined by the heterogeneous interaction activity and social capital allocation of individuals. These features interplay in a non-trivial way in the formation of network and challenge a rigorous dynamical system theory of network evolution. Here we study seven real networks describing temporal human interactions in three different settings: scientific collaborations, Twitter mentions, and mobile phone calls. We find that the node's activity and social capital allocation can be described by two general functional forms that can be used to define a simple stochastic model for social network dynamic. This model allows the explicit asymptotic solution of the Master Equation describing the system dynamic, and provides the scaling laws characterizing the time evolution of the social network degree distribution and individual node's ego network. The analytical predictions reproduce with accuracy the empirical observations validating the theoretical approach....

  16. An Appraisal of Social Network Theory and Analysis as Applied to Public Health: Challenges and Opportunities.

    Science.gov (United States)

    Valente, Thomas W; Pitts, Stephanie R

    2017-03-20

    The use of social network theory and analysis methods as applied to public health has expanded greatly in the past decade, yielding a significant academic literature that spans almost every conceivable health issue. This review identifies several important theoretical challenges that confront the field but also provides opportunities for new research. These challenges include (a) measuring network influences, (b) identifying appropriate influence mechanisms, (c) the impact of social media and computerized communications, (d) the role of networks in evaluating public health interventions, and (e) ethics. Next steps for the field are outlined and the need for funding is emphasized. Recently developed network analysis techniques, technological innovations in communication, and changes in theoretical perspectives to include a focus on social and environmental behavioral influences have created opportunities for new theory and ever broader application of social networks to public health topics.

  17. An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks.

    Science.gov (United States)

    Salim, Shelly; Moh, Sangman

    2016-06-30

    A cognitive radio sensor network (CRSN) is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD) scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.

  18. Accuracy of mean-field theory for dynamics on real-world networks.

    Science.gov (United States)

    Gleeson, James P; Melnik, Sergey; Ward, Jonathan A; Porter, Mason A; Mucha, Peter J

    2012-02-01

    Mean-field analysis is an important tool for understanding dynamics on complex networks. However, surprisingly little attention has been paid to the question of whether mean-field predictions are accurate, and this is particularly true for real-world networks with clustering and modular structure. In this paper, we compare mean-field predictions to numerical simulation results for dynamical processes running on 21 real-world networks and demonstrate that the accuracy of such theory depends not only on the mean degree of the networks but also on the mean first-neighbor degree. We show that mean-field theory can give (unexpectedly) accurate results for certain dynamics on disassortative real-world networks even when the mean degree is as low as 4.

  19. An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks

    Directory of Open Access Journals (Sweden)

    Shelly Salim

    2016-06-01

    Full Text Available A cognitive radio sensor network (CRSN is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.

  20. Time-dependent density functional theory for many-electron systems interacting with cavity photons.

    Science.gov (United States)

    Tokatly, I V

    2013-06-07

    Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.

  1. Statistical theory of designed quantum transport across disordered networks

    Science.gov (United States)

    Walschaers, Mattia; Mulet, Roberto; Wellens, Thomas; Buchleitner, Andreas

    2015-04-01

    We explain how centrosymmetry, together with a dominant doublet of energy eigenstates in the local density of states, can guarantee interference-assisted, strongly enhanced, strictly coherent quantum excitation transport between two predefined sites of a random network of two-level systems. Starting from a generalization of the chaos-assisted tunnelling mechanism, we formulate a random matrix theoretical framework for the analytical prediction of the transfer time distribution, of lower bounds of the transfer efficiency, and of the scaling behavior of characteristic statistical properties with the size of the network. We show that these analytical predictions compare well to numerical simulations, using Hamiltonians sampled from the Gaussian orthogonal ensemble.

  2. Intra- Versus Intersex Aggression: Testing Theories of Sex Differences Using Aggression Networks.

    Science.gov (United States)

    Wölfer, Ralf; Hewstone, Miles

    2015-08-01

    Two theories offer competing explanations of sex differences in aggressive behavior: sexual-selection theory and social-role theory. While each theory has specific strengths and limitations depending on the victim's sex, research hardly differentiates between intrasex and intersex aggression. In the present study, 11,307 students (mean age = 14.96 years; 50% girls, 50% boys) from 597 school classes provided social-network data (aggression and friendship networks) as well as physical (body mass index) and psychosocial (gender and masculinity norms) information. Aggression networks were used to disentangle intra- and intersex aggression, whereas their class-aggregated sex differences were analyzed using contextual predictors derived from sexual-selection and social-role theories. As expected, results revealed that sexual-selection theory predicted male-biased sex differences in intrasex aggression, whereas social-role theory predicted male-biased sex differences in intersex aggression. Findings suggest the value of explaining sex differences separately for intra- and intersex aggression with a dual-theory framework covering both evolutionary and normative components. © The Author(s) 2015.

  3. Tuning RED parameters in satellite networks using control theory

    Science.gov (United States)

    Sridharan, Mukundan; Durresi, Arjan; Chellappan, Sriram; Ozbay, Hitay; Jain, Raj

    2003-08-01

    Congestion in the Internet results in wasted bandwidth and also stands in the way of guaranteeing QoS. The effect of congestion is multiplied many fold in Satellite networks, where the resources are very expensive. Thus congestion control has a special significance in the performance of Satellite networks. In today's Internet, congestion control is implemented mostly using some form of the de facto standard, RED. But tuning of parameters in RED has been a major problem throughout. Achieving high throughput with corresponding low delays is the main goal in parameter setting. It is also desired to keep the oscillations in the queue low to reduce jitter, so that the QoS guarantees can be improved. In this paper, we use a previously linearized fluid flow model of TCP-RED to study the performance and stability of the Queue in the router. We use classical control tools like Tracking Error minimization and Delay Margin to study the performance, stability of the system. We use the above-mentioned tools to provide guidelines for setting the parameters in RED, such that the throughput, delay and jitter of the system are optimized. Thus we provide guidelines for optimizing satellite IP networks. We apply our results exclusively for optimizing the performance of satellite networks, where the effects of congestion are much pronounced and need for optimization is much important. We use ns simulator to validate our results to support our analysis.

  4. Workshop: Theory an Applications of Coupled Cell Networks

    Science.gov (United States)

    2006-03-22

    Economia and Centro de Matematica , Universidade do Porto) Application of coupled cell systems have been made to a wide range of problems in the physical and...Departamento de Matematica Pura da Faculdade de Ciencias do Porto) As pointed by [1], in the class of coupled cell networks that permits self-coupling

  5. On Optimal Policies for Network Coded Cooperation: Theory and Implementation

    DEFF Research Database (Denmark)

    Khamfroush, Hana; Lucani Rötter, Daniel Enrique; Pahlevani, Peyman

    2014-01-01

    's Raspberry Pi testbed and compared with random linear network coding (RLNC) broadcast in terms of completion time, total number of required transmissions, and percentage of delivered generations. Our measurements show that enabling cooperation only among pairs of devices can decrease the completion time...

  6. Integrated service resource reservation using queueing networks theory

    DEFF Research Database (Denmark)

    Brewka, Lukasz Jerzy; Iversen, Villy Bæk; Kardaras, Georgios

    2014-01-01

    This study analyses multi-server multi-service queueing networks with service protection. To guarantee each service a certain quality-of-service and at the same time ensure high utilisation of servers, a minimum capacity is reserved each service. In addition, all services share the remaining non...

  7. Idea Management: Perspectives from Leadership, Learning, and Network Theory

    NARCIS (Netherlands)

    D. Deichmann (Dirk)

    2012-01-01

    textabstractIn this dissertation, we focus on how leadership styles, individual learning behaviors, and social network structures drive or inhibit organizational members to repeatedly generate and develop innovative ideas. Taking the idea management programs of three multinational companies as the

  8. Actor/Actant-Network Theory as Emerging Methodology for ...

    African Journals Online (AJOL)

    The paper reveals that the application of AANT methodology made it possible to trace relationships, actors, actants and actor/actant-networks surrounding the Plastic Bags Regulations as quasi-object (token). The methodology also enabled a focus on understanding and investigating tensions, debates and responses ...

  9. Neural Network for Nanoscience Scanning Electron Microscope Image Recognition.

    Science.gov (United States)

    Modarres, Mohammad Hadi; Aversa, Rossella; Cozzini, Stefano; Ciancio, Regina; Leto, Angelo; Brandino, Giuseppe Piero

    2017-10-16

    In this paper we applied transfer learning techniques for image recognition, automatic categorization, and labeling of nanoscience images obtained by scanning electron microscope (SEM). Roughly 20,000 SEM images were manually classified into 10 categories to form a labeled training set, which can be used as a reference set for future applications of deep learning enhanced algorithms in the nanoscience domain. The categories chosen spanned the range of 0-Dimensional (0D) objects such as particles, 1D nanowires and fibres, 2D films and coated surfaces, and 3D patterned surfaces such as pillars. The training set was used to retrain on the SEM dataset and to compare many convolutional neural network models (Inception-v3, Inception-v4, ResNet). We obtained compatible results by performing a feature extraction of the different models on the same dataset. We performed additional analysis of the classifier on a second test set to further investigate the results both on particular cases and from a statistical point of view. Our algorithm was able to successfully classify around 90% of a test dataset consisting of SEM images, while reduced accuracy was found in the case of images at the boundary between two categories or containing elements of multiple categories. In these cases, the image classification did not identify a predominant category with a high score. We used the statistical outcomes from testing to deploy a semi-automatic workflow able to classify and label images generated by the SEM. Finally, a separate training was performed to determine the volume fraction of coherently aligned nanowires in SEM images. The results were compared with what was obtained using the Local Gradient Orientation method. This example demonstrates the versatility and the potential of transfer learning to address specific tasks of interest in nanoscience applications.

  10. Quantum many-body theory for electron spin decoherence in nanoscale nuclear spin baths.

    Science.gov (United States)

    Yang, Wen; Ma, Wen-Long; Liu, Ren-Bao

    2017-01-01

    Decoherence of electron spins in nanoscale systems is important to quantum technologies such as quantum information processing and magnetometry. It is also an ideal model problem for studying the crossover between quantum and classical phenomena. At low temperatures or in light-element materials where the spin-orbit coupling is weak, the phonon scattering in nanostructures is less important and the fluctuations of nuclear spins become the dominant decoherence mechanism for electron spins. Since the 1950s, semi-classical noise theories have been developed for understanding electron spin decoherence. In spin-based solid-state quantum technologies, the relevant systems are in the nanometer scale and nuclear spin baths are quantum objects which require a quantum description. Recently, quantum pictures have been established to understand the decoherence and quantum many-body theories have been developed to quantitatively describe this phenomenon. Anomalous quantum effects have been predicted and some have been experimentally confirmed. A systematically truncated cluster-correlation expansion theory has been developed to account for the many-body correlations in nanoscale nuclear spin baths that are built up during electron spin decoherence. The theory has successfully predicted and explained a number of experimental results in a wide range of physical systems. In this review, we will cover this recent progress. The limitations of the present quantum many-body theories and possible directions for future development will also be discussed.

  11. Increased segregation of brain networks in focal epilepsy: An fMRI graph theory finding.

    Science.gov (United States)

    Pedersen, Mangor; Omidvarnia, Amir H; Walz, Jennifer M; Jackson, Graeme D

    2015-01-01

    Focal epilepsy is conceived of as activating local areas of the brain as well as engaging regional brain networks. Graph theory represents a powerful quantitative framework for investigation of brain networks. Here we investigate whether functional network changes are present in extratemporal focal epilepsy. Task-free functional magnetic resonance imaging data from 15 subjects with extratemporal epilepsy and 26 age and gender matched healthy controls were used for analysis. Local network properties were calculated using local efficiency, clustering coefficient and modularity metrics. Global network properties were assessed with global efficiency and betweenness centrality metrics. Cost-efficiency of the networks at both local and global levels was evaluated by estimating the physical distance between functionally connected nodes, in addition to the overall numbers of connections in the network. Clustering coefficient, local efficiency and modularity were significantly higher in individuals with focal epilepsy than healthy control subjects, while global efficiency and betweenness centrality were not significantly different between the two groups. Local network properties were also highly efficient, at low cost, in focal epilepsy subjects compared to healthy controls. Our results show that functional networks in focal epilepsy are altered in a way that the nodes of the network are more isolated. We postulate that network regularity, or segregation of the nodes of the networks, may be an adaptation that inhibits the conversion of the interictal state to seizures. It remains possible that this may be part of the epileptogenic process or an effect of medications.

  12. Dynamical Graph Theory Networks Methods for the Analysis of Sparse Functional Connectivity Networks and for Determining Pinning Observability in Brain Networks.

    Science.gov (United States)

    Meyer-Bäse, Anke; Roberts, Rodney G; Illan, Ignacio A; Meyer-Bäse, Uwe; Lobbes, Marc; Stadlbauer, Andreas; Pinker-Domenig, Katja

    2017-01-01

    Neuroimaging in combination with graph theory has been successful in analyzing the functional connectome. However almost all analysis are performed based on static graph theory. The derived quantitative graph measures can only describe a snap shot of the disease over time. Neurodegenerative disease evolution is poorly understood and treatment strategies are consequently only of limited efficiency. Fusing modern dynamic graph network theory techniques and modeling strategies at different time scales with pinning observability of complex brain networks will lay the foundation for a transformational paradigm in neurodegnerative diseases research regarding disease evolution at the patient level, treatment response evaluation and revealing some central mechanism in a network that drives alterations in these diseases. We model and analyze brain networks as two-time scale sparse dynamic graph networks with hubs (clusters) representing the fast sub-system and the interconnections between hubs the slow sub-system. Alterations in brain function as seen in dementia can be dynamically modeled by determining the clusters in which disturbance inputs have entered and the impact they have on the large-scale dementia dynamic system. Observing a small fraction of specific nodes in dementia networks such that the others can be recovered is accomplished by the novel concept of pinning observability. In addition, how to control this complex network seems to be crucial in understanding the progressive abnormal neural circuits in many neurodegenerative diseases. Detecting the controlling regions in the networks, which serve as key nodes to control the aberrant dynamics of the networks to a desired state and thus influence the progressive abnormal behavior, will have a huge impact in understanding and developing therapeutic solutions and also will provide useful information about the trajectory of the disease. In this paper, we present the theoretical framework and derive the necessary

  13. Dynamical Graph Theory Networks Methods for the Analysis of Sparse Functional Connectivity Networks and for Determining Pinning Observability in Brain Networks

    Directory of Open Access Journals (Sweden)

    Anke Meyer-Bäse

    2017-10-01

    Full Text Available Neuroimaging in combination with graph theory has been successful in analyzing the functional connectome. However almost all analysis are performed based on static graph theory. The derived quantitative graph measures can only describe a snap shot of the disease over time. Neurodegenerative disease evolution is poorly understood and treatment strategies are consequently only of limited efficiency. Fusing modern dynamic graph network theory techniques and modeling strategies at different time scales with pinning observability of complex brain networks will lay the foundation for a transformational paradigm in neurodegnerative diseases research regarding disease evolution at the patient level, treatment response evaluation and revealing some central mechanism in a network that drives alterations in these diseases. We model and analyze brain networks as two-time scale sparse dynamic graph networks with hubs (clusters representing the fast sub-system and the interconnections between hubs the slow sub-system. Alterations in brain function as seen in dementia can be dynamically modeled by determining the clusters in which disturbance inputs have entered and the impact they have on the large-scale dementia dynamic system. Observing a small fraction of specific nodes in dementia networks such that the others can be recovered is accomplished by the novel concept of pinning observability. In addition, how to control this complex network seems to be crucial in understanding the progressive abnormal neural circuits in many neurodegenerative diseases. Detecting the controlling regions in the networks, which serve as key nodes to control the aberrant dynamics of the networks to a desired state and thus influence the progressive abnormal behavior, will have a huge impact in understanding and developing therapeutic solutions and also will provide useful information about the trajectory of the disease. In this paper, we present the theoretical framework and

  14. A Balanced Theory of Sourcing, Collaboration and Networks

    NARCIS (Netherlands)

    B. Nooteboom (Bart)

    2002-01-01

    textabstractIn a synthesis of recent advances, this article gives a fresh, balanced theory of inter-organizational relations. It integrates competence and governance perspectives. It considers the choice between mergers/acquisitions and alliances. It offers a toolbox of instruments to govern

  15. Unified-theory-of-reinforcement neural networks do not simulate the blocking effect.

    Science.gov (United States)

    Calvin, Nicholas T; J McDowell, J

    2015-11-01

    For the last 20 years the unified theory of reinforcement (Donahoe et al., 1993) has been used to develop computer simulations to evaluate its plausibility as an account for behavior. The unified theory of reinforcement states that operant and respondent learning occurs via the same neural mechanisms. As part of a larger project to evaluate the operant behavior predicted by the theory, this project was the first replication of neural network models based on the unified theory of reinforcement. In the process of replicating these neural network models it became apparent that a previously published finding, namely, that the networks simulate the blocking phenomenon (Donahoe et al., 1993), was a misinterpretation of the data. We show that the apparent blocking produced by these networks is an artifact of the inability of these networks to generate the same conditioned response to multiple stimuli. The piecemeal approach to evaluate the unified theory of reinforcement via simulation is critiqued and alternatives are discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Relativistic light-shift theory of few-electron systems: Heliumlike highly charged ions

    Science.gov (United States)

    Postavaru, O.; Scafes, A. C.

    2017-09-01

    The light-shift theory of many-electron systems in a laser field is described using the projection operators technique. In heavy ions, the electrons are tightly bound by the Coulomb potential of the nucleus, which prohibits ionization even by strong lasers. However, interaction with the monofrequent laser field leads to dynamic shifts of the electronic energy levels, and the process is treated by second-order time-dependent perturbation theory. In order to treat heliumlike systems, one decomposes the corresponding matrix elements into hydrogenlike matrix elements using the independent particle model. We are applying a fully relativistic description of the electronic states by means of the Dirac equation. Our formalism goes beyond the Stark long-wavelength dipole approximation and takes into account nondipole effects of retardation and interaction with the magnetic field components of the laser beam.

  17. Theory of Electron Transport in Semiconductors A Pathway from Elementary Physics to Nonequilibrium Green Functions

    CERN Document Server

    Jacoboni, Carlo

    2010-01-01

    This book describes in details the theory of the electron transport in the materials and structures at the basis of modern micro- and nano-electronics. It leads and accompanies the reader, through a step-by-step derivation of all calculations, from the basic laws of classical and quantum physics up to the most modern theoretical techniques, such as nonequilibrium Green functions, to study transport properties of both semiconductor materials and modern low-dimensional and mesoscopic structures.

  18. Simulations of Nanocrystals Under Pressure: Combining Electronic Enthalpy and Linear-Scaling Density-Functional Theory

    OpenAIRE

    Corsini, NR; Greco, A.; Hine, ND; Molteni, C.; Haynes, PD

    2013-01-01

    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 simula...

  19. Dynamical Systems Theory for Transparent Symbolic Computation in Neuronal Networks

    OpenAIRE

    Carmantini, Giovanni Sirio

    2017-01-01

    In this thesis, we explore the interface between symbolic and dynamical system computation, with particular regard to dynamical system models of neuronal networks. In doing so, we adhere to a definition of computation as the physical realization of a formal system, where we say that a dynamical system performs a computation if a correspondence can be found between its dynamics on a vectorial space and the formal system’s dynamics on a symbolic space. Guided by this definition, we characterize...

  20. Social Contagion Theory: Examining Dynamic Social Networks and Human Behavior

    OpenAIRE

    Nicholas A Christakis; Fowler, James H.

    2011-01-01

    Here, we review the research we have done on social contagion. We describe the methods we have employed (and the assumptions they have entailed) in order to examine several datasets with complementary strengths and weaknesses, including the Framingham Heart Study, the National Longitudinal Study of Adolescent Health, and other observational and experimental datasets that we and others have collected. We describe the regularities that led us to propose that human social networks may exhibit a ...

  1. Idea Management: Perspectives from Leadership, Learning, and Network Theory

    OpenAIRE

    Deichmann, Dirk

    2012-01-01

    textabstractIn this dissertation, we focus on how leadership styles, individual learning behaviors, and social network structures drive or inhibit organizational members to repeatedly generate and develop innovative ideas. Taking the idea management programs of three multinational companies as the research setting, we investigate, in four empirical papers using different sources and methods, how innovative behavior can be supported, influenced, or changed. Within this context, we concentrate ...

  2. Low-rank factorization of electron integral tensors and its application in electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Bo; Kowalski, Karol

    2017-03-01

    In this letter, we introduce the reverse Cuthill-McKee (RCM) algorithm, which is often used for the bandwidth reduction of sparse tensors, to transform the two-electron integral tensors to their block diagonal forms. By further applying the pivoted Cholesky decomposition (CD) on each of the diagonal blocks, we are able to represent the high-dimensional two-electron integral tensors in terms of permutation matrices and low-rank Cholesky vectors. This representation facilitates the low-rank factorization of the high-dimensional tensor contractions that are usually encountered in post-Hartree-Fock calculations. In this letter, we discuss the second-order Møller-Plesset (MP2) method and linear coupled- cluster model with doubles (L-CCD) as two simple examples to demonstrate the efficiency of the RCM-CD technique in representing two-electron integrals in a compact form.

  3. Social contagion theory: examining dynamic social networks and human behavior.

    Science.gov (United States)

    Christakis, Nicholas A; Fowler, James H

    2013-02-20

    Here, we review the research we have conducted on social contagion. We describe the methods we have employed (and the assumptions they have entailed) to examine several datasets with complementary strengths and weaknesses, including the Framingham Heart Study, the National Longitudinal Study of Adolescent Health, and other observational and experimental datasets that we and others have collected. We describe the regularities that led us to propose that human social networks may exhibit a 'three degrees of influence' property, and we review statistical approaches we have used to characterize interpersonal influence with respect to phenomena as diverse as obesity, smoking, cooperation, and happiness. We do not claim that this work is the final word, but we do believe that it provides some novel, informative, and stimulating evidence regarding social contagion in longitudinally followed networks. Along with other scholars, we are working to develop new methods for identifying causal effects using social network data, and we believe that this area is ripe for statistical development as current methods have known and often unavoidable limitations. Copyright © 2012 John Wiley & Sons, Ltd.

  4. A Balanced Theory of Sourcing, Collaboration and Networks

    OpenAIRE

    Nooteboom, Bart

    2002-01-01

    textabstractIn a synthesis of recent advances, this article gives a fresh, balanced theory of inter-organizational relations. It integrates competence and governance perspectives. It considers the choice between mergers/acquisitions and alliances. It offers a toolbox of instruments to govern relational risk, and the contingencies for their selection. Relationships can last too long. Therefore, the article also looks at how to end relationships. Beyond dyads of collaborating firms, it includes...

  5. Trapped Electron Instability of Electron Plasma Waves: Vlasov simulations and theory

    Science.gov (United States)

    Berger, Richard; Chapman, Thomas; Brunner, Stephan

    2013-10-01

    The growth of sidebands of a large-amplitude electron plasma wave is studied with Vlasov simulations for a range of amplitudes (. 001 vph = +/-ωbe , where vph =ω0 /k0 and ωbe is the bounce frequency of a deeply trapped electron. In 2D simulations, we find that the instability persists and co-exists with the filamentation instability. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the Laboratory Research and Development Program at LLNL under project tracking code 12-ERD.

  6. Network organization is globally atypical in autism: A graph theory study of intrinsic functional connectivity.

    Science.gov (United States)

    Keown, Christopher L; Datko, Michael C; Chen, Colleen P; Maximo, José Omar; Jahedi, Afrooz; Müller, Ralph-Axel

    2017-01-01

    Despite abundant evidence of brain network anomalies in autism spectrum disorder (ASD), findings have varied from broad functional underconnectivity to broad overconnectivity. Rather than pursuing overly simplifying general hypotheses ('under' vs. 'over'), we tested the hypothesis of atypical network distribution in ASD (i.e., participation of unusual loci in distributed functional networks). We used a selective high-quality data subset from the ABIDE datashare (including 111 ASD and 174 typically developing [TD] participants) and several graph theory metrics. Resting state functional MRI data were preprocessed and analyzed for detection of low-frequency intrinsic signal correlations. Groups were tightly matched for available demographics and head motion. As hypothesized, the Rand Index (reflecting how similar network organization was to a normative set of networks) was significantly lower in ASD than TD participants. This was accounted for by globally reduced cohesion and density, but increased dispersion of networks. While differences in hub architecture did not survive correction, rich club connectivity (among the hubs) was increased in the ASD group. Our findings support the model of reduced network integration (connectivity with networks) and differentiation (or segregation; based on connectivity outside network boundaries) in ASD. While the findings applied at the global level, they were not equally robust across all networks and in one case (greater cohesion within ventral attention network in ASD) even reversed.

  7. Information theory in systems biology. Part II: protein-protein interaction and signaling networks.

    Science.gov (United States)

    Mousavian, Zaynab; Díaz, José; Masoudi-Nejad, Ali

    2016-03-01

    By the development of information theory in 1948 by Claude Shannon to address the problems in the field of data storage and data communication over (noisy) communication channel, it has been successfully applied in many other research areas such as bioinformatics and systems biology. In this manuscript, we attempt to review some of the existing literatures in systems biology, which are using the information theory measures in their calculations. As we have reviewed most of the existing information-theoretic methods in gene regulatory and metabolic networks in the first part of the review, so in the second part of our study, the application of information theory in other types of biological networks including protein-protein interaction and signaling networks will be surveyed. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Design and Analysis of an Electron Gun/Booster and Free Electron Laser Optical Theory

    Science.gov (United States)

    2010-09-01

    gas ( TIG ) welding has been poor [12]. Electron beam welding offers a much more controllable environment for ensuring weld quality and minimizing...beam welding of the NPS cavity . . . . . . . . . . . . . . . . . 54 29. Buffered chemical polish station . . . . . . . . . . . . . . . . . . . . . . 55...degree turn (and weld ) and to improve the ability to clean the cavities. Removing surface contaminants is of utmost importance in superconducting

  9. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modeled...... at two levels of approximation, first as a simple external potential and later as a 20-atom cluster. We perform a number of calculations on an electron hitting the adsorbed molecule from inside the surface and establish a picture, where the resonance is being probed by the hot electron. This enables us...

  10. The use of network theory to model disparate ship design information

    Directory of Open Access Journals (Sweden)

    Rigterink Douglas

    2014-06-01

    Full Text Available This paper introduces the use of network theory to model and analyze disparate ship design information. This work will focus on a ship’s distributed systems and their intra- and intersystem structures and interactions. The three system to be analyzed are: a passageway system, an electrical system, and a fire fighting system. These systems will be analyzed individually using common network metrics to glean information regarding their structures and attributes. The systems will also be subjected to community detection algorithms both separately and as a multiplex network to compare their similarities, differences, and interactions. Network theory will be shown to be useful in the early design stage due to its simplicity and ability to model any shipboard system.

  11. Functional neural networks of honesty and dishonesty in children: Evidence from graph theory analysis.

    Science.gov (United States)

    Ding, Xiao Pan; Wu, Si Jia; Liu, Jiangang; Fu, Genyue; Lee, Kang

    2017-09-21

    The present study examined how different brain regions interact with each other during spontaneous honest vs. dishonest communication. More specifically, we took a complex network approach based on the graph-theory to analyze neural response data when children are spontaneously engaged in honest or dishonest acts. Fifty-nine right-handed children between 7 and 12 years of age participated in the study. They lied or told the truth out of their own volition. We found that lying decreased both the global and local efficiencies of children's functional neural network. This finding, for the first time, suggests that lying disrupts the efficiency of children's cortical network functioning. Further, it suggests that the graph theory based network analysis is a viable approach to study the neural development of deception.

  12. Methodology for Simulation and Analysis of Complex Adaptive Supply Network Structure and Dynamics Using Information Theory

    Directory of Open Access Journals (Sweden)

    Joshua Rodewald

    2016-10-01

    Full Text Available Supply networks existing today in many industries can behave as complex adaptive systems making them more difficult to analyze and assess. Being able to fully understand both the complex static and dynamic structures of a complex adaptive supply network (CASN are key to being able to make more informed management decisions and prioritize resources and production throughout the network. Previous efforts to model and analyze CASN have been impeded by the complex, dynamic nature of the systems. However, drawing from other complex adaptive systems sciences, information theory provides a model-free methodology removing many of those barriers, especially concerning complex network structure and dynamics. With minimal information about the network nodes, transfer entropy can be used to reverse engineer the network structure while local transfer entropy can be used to analyze the network structure’s dynamics. Both simulated and real-world networks were analyzed using this methodology. Applying the methodology to CASNs allows the practitioner to capitalize on observations from the highly multidisciplinary field of information theory which provides insights into CASN’s self-organization, emergence, stability/instability, and distributed computation. This not only provides managers with a more thorough understanding of a system’s structure and dynamics for management purposes, but also opens up research opportunities into eventual strategies to monitor and manage emergence and adaption within the environment.

  13. Analysis of the enzyme network involved in cattle milk production using graph theory.

    Science.gov (United States)

    Ghorbani, Sholeh; Tahmoorespur, Mojtaba; Masoudi Nejad, Ali; Nasiri, Mohammad; Asgari, Yazdan

    2015-06-01

    Understanding cattle metabolism and its relationship with milk products is important in bovine breeding. A systemic view could lead to consequences that will result in a better understanding of existing concepts. Topological indices and quantitative characterizations mostly result from the application of graph theory on biological data. In the present work, the enzyme network involved in cattle milk production was reconstructed and analyzed based on available bovine genome information using several public datasets (NCBI, Uniprot, KEGG, and Brenda). The reconstructed network consisted of 3605 reactions named by KEGG compound numbers and 646 enzymes that catalyzed the corresponding reactions. The characteristics of the directed and undirected network were analyzed using Graph Theory. The mean path length was calculated to be4.39 and 5.41 for directed and undirected networks, respectively. The top 11 hub enzymes whose abnormality could harm bovine health and reduce milk production were determined. Therefore, the aim of constructing the enzyme centric network was twofold; first to find out whether such network followed the same properties of other biological networks, and second, to find the key enzymes. The results of the present study can improve our understanding of milk production in cattle. Also, analysis of the enzyme network can help improve the modeling and simulation of biological systems and help design desired phenotypes to increase milk production quality or quantity.

  14. The fully relativistic foundation of linear transfer theory in electron optics based on the Dirac equation

    NARCIS (Netherlands)

    Ferwerda, H.A.; Hoenders, B.J.; Slump, C.H.

    The fully relativistic quantum mechanical treatment of paraxial electron-optical image formation initiated in the previous paper (this issue) is worked out and leads to a rigorous foundation of the linear transfer theory. Moreover, the status of the relativistic scaling laws for mass and wavelength,

  15. Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine

    DEFF Research Database (Denmark)

    Vazquez, Hector; Jelinek, P.; Brandbyge, Mads

    2009-01-01

    A method for improving the electronic spectrum of standard Density-Functional Theory (DFT) calculations (i.e., LDA or GGA approximations) is presented, and its application is discussed for the case of the copper phthalocyanine (CuPc) molecule. The method is based on a treatment of exchange...

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

    Science.gov (United States)

    Wang, Xin; Wang, Ying; Sun, Hongbin

    2016-01-01

    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.

  17. 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.

  18. Lithofacies identification using multiple adaptive resonance theory neural networks and group decision expert system

    Science.gov (United States)

    Chang, H.-C.; Kopaska-Merkel, D. C.; Chen, H.-C.; Rocky, Durrans S.

    2000-01-01

    Lithofacies identification supplies qualitative information about rocks. Lithofacies represent rock textures and are important components of hydrocarbon reservoir description. Traditional techniques of lithofacies identification from core data are costly and different geologists may provide different interpretations. In this paper, we present a low-cost intelligent system consisting of three adaptive resonance theory neural networks and a rule-based expert system to consistently and objectively identify lithofacies from well-log data. The input data are altered into different forms representing different perspectives of observation of lithofacies. Each form of input is processed by a different adaptive resonance theory neural network. Among these three adaptive resonance theory neural networks, one neural network processes the raw continuous data, another processes categorial data, and the third processes fuzzy-set data. Outputs from these three networks are then combined by the expert system using fuzzy inference to determine to which facies the input data should be assigned. Rules are prioritized to emphasize the importance of firing order. This new approach combines the learning ability of neural networks, the adaptability of fuzzy logic, and the expertise of geologists to infer facies of the rocks. This approach is applied to the Appleton Field, an oil field located in Escambia County, Alabama. The hybrid intelligence system predicts lithofacies identity from log data with 87.6% accuracy. This prediction is more accurate than those of single adaptive resonance theory networks, 79.3%, 68.0% and 66.0%, using raw, fuzzy-set, and categorical data, respectively, and by an error-backpropagation neural network, 57.3%. (C) 2000 Published by Elsevier Science Ltd. All rights reserved.

  19. Change Agents, Networks, and Institutions: A Contingency Theory of Organizational Change

    OpenAIRE

    Battilana, Julie; Casciaro, Tiziana

    2012-01-01

    We develop a contingency theory for how structural closure in a network, defined as the extent to which an actor’s network contacts are connected to one another, affects the initiation and adoption of change in organizations. Using longitudinal survey data supplemented with eight in-depth case studies, we analyze 68 organizational change initiatives undertaken in the United Kingdom’s National Health Service. We show that low levels of structural closure (i.e., structural holes) in a change ag...

  20. Tracing structure, tie Strength, and cognitive networks in LMX theory and research

    OpenAIRE

    Sparrowe, Raymond T.; Emery, Cécile

    2015-01-01

    This chapter reflects on the growing relationship between Leader–Member Exchange (LMX) theory and research and social network analysis. We first discuss the themes of structure and tie strength in relation to several of the theoretical formulations of LMX theory that have served as the foundation for subsequent research. This section proceeds chronologically, beginning with the earliest work on the Vertical Dyad Linkage (as the LMX perspective was initially known) and concluding with recent e...

  1. International Workshop on Electronic Density Functional Theory : Recent Progress and New Directions

    CERN Document Server

    Vignale, Giovanni; Das, Mukunda

    1998-01-01

    This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on r...

  2. Theoretical estimation of the electron affinity for quinone derivatives by means of density functional theory

    Science.gov (United States)

    Kalimullina, L. R.; Nafikova, E. P.; Asfandiarov, N. L.; Chizhov, Yu. V.; Baibulova, G. Sh.; Zhdanov, E. R.; Gadiev, R. M.

    2015-03-01

    A number of compounds related to quinone derivatives is investigated by means of density functional theory in the B3LYP/6-31G(d) mode. Vertical electron affinity E va and/or electron affinity E a for the investigated compounds are known from experiments. The correlation between the calculated energies of π* molecular orbitals with the E va values measured via electron transmission spectroscopy is determined with a coefficient of 0.96. It is established that theoretical values of the adiabatic electron affinity, calculated as the difference between the total energies of a neutral molecule and a radical anion, correlate with E a values determined from electron transfer experiments with a correlation coefficient of 0.996.

  3. Power system cascading risk assessment based on complex network theory

    Science.gov (United States)

    Wang, Zhuoyang; Hill, David J.; Chen, Guo; Dong, Zhao Yang

    2017-09-01

    When a single failure occurs in a vulnerable part of a power system, this may cause a large area cascading event. Therefore, an advanced method that can assess the risks during cascading events is needed. In this paper, an improved complex network model for power system risk assessment is proposed. Risk is defined by consequence and probability of the failures in this model, which are affected by both power factors and network structure. Compared with existing risk assessment models, the proposed one can evaluate the risk of the system comprehensively during a cascading event by combining the topological and electrical information. A new cascading event simulation module is adopted to identify the power grid cascading chain from a system-level view. In addition, simulations are investigated on the IEEE 14 bus system and IEEE 39 bus system respectively to illustrate the performance of the proposed module. The simulation results demonstrate that the proposed method is effective in a power grid risk assessment during cascading event.

  4. Associative nature of event participation dynamics: A network theory approach

    Science.gov (United States)

    Smiljanić, Jelena; Mitrović Dankulov, Marija

    2017-01-01

    The affiliation with various social groups can be a critical factor when it comes to quality of life of each individual, making such groups an essential element of every society. The group dynamics, longevity and effectiveness strongly depend on group’s ability to attract new members and keep them engaged in group activities. It was shown that high heterogeneity of scientist’s engagement in conference activities of the specific scientific community depends on the balance between the numbers of previous attendances and non-attendances and is directly related to scientist’s association with that community. Here we show that the same holds for leisure groups of the Meetup website and further quantify individual members’ association with the group. We examine how structure of personal social networks is evolving with the event attendance. Our results show that member’s increasing engagement in the group activities is primarily associated with the strengthening of already existing ties and increase in the bonding social capital. We also show that Meetup social networks mostly grow trough big events, while small events contribute to the groups cohesiveness. PMID:28166305

  5. Applying Game Theory in 802.11 Wireless Networks

    Directory of Open Access Journals (Sweden)

    Tomas Cuzanauskas

    2015-07-01

    Full Text Available IEEE 802.11 is one of the most popular wireless technologies in recent days. Due to easiness of adaption and relatively low cost the demand for IEEE 802.11 devices is increasing exponentially. IEEE works in two bands 2.4 GHz and 5 GHz, these bands are known as ISM band. The unlicensed bands are managed by authority which set simple rules to follow when using unlicensed bands, the rules includes requirements as maximum power, out-of-band emissions control as well as interference mitigation. However these rules became outdated as IEEE 802.11 technology is emerging and evolving in hours the rules aren’t well suited for current capabilities of IEEE 802.11 devices. In this article we present game theory based algorithm for IEEE 802.11 wireless devices, we will show that by using game theory it’s possible to achieve better usage of unlicensed spectrum as well as partially decline CSMA/CA. Finally by using this approach we might relax the currently applied maximum power rules for ISM bands, which enable IEEE 802.11 to work on longer distance and have better propagation characteristics.

  6. Massive-Scale Gene Co-Expression Network Construction and Robustness Testing Using Random Matrix Theory

    Science.gov (United States)

    Isaacson, Sven; Luo, Feng; Feltus, Frank A.; Smith, Melissa C.

    2013-01-01

    The study of gene relationships and their effect on biological function and phenotype is a focal point in systems biology. Gene co-expression networks built using microarray expression profiles are one technique for discovering and interpreting gene relationships. A knowledge-independent thresholding technique, such as Random Matrix Theory (RMT), is useful for identifying meaningful relationships. Highly connected genes in the thresholded network are then grouped into modules that provide insight into their collective functionality. While it has been shown that co-expression networks are biologically relevant, it has not been determined to what extent any given network is functionally robust given perturbations in the input sample set. For such a test, hundreds of networks are needed and hence a tool to rapidly construct these networks. To examine functional robustness of networks with varying input, we enhanced an existing RMT implementation for improved scalability and tested functional robustness of human (Homo sapiens), rice (Oryza sativa) and budding yeast (Saccharomyces cerevisiae). We demonstrate dramatic decrease in network construction time and computational requirements and show that despite some variation in global properties between networks, functional similarity remains high. Moreover, the biological function captured by co-expression networks thresholded by RMT is highly robust. PMID:23409071

  7. Toward a muon-specific electronic structure theory: effective electronic Hartree-Fock equations for muonic molecules.

    Science.gov (United States)

    Rayka, Milad; Goli, Mohammad; Shahbazian, Shant

    2018-02-07

    An effective set of Hartree-Fock (HF) equations are derived for electrons of muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the usual two-component HF equations used to derive stationary states of the muonic molecules. In these effective equations, a non-Coulombic potential is added to the orthodox coulomb and exchange potential energy terms, which describes the interaction of the muon and the electrons effectively and is optimized during the self-consistent field cycles. While in the two-component HF equations a muon is treated as a quantum particle, in the effective HF equations it is absorbed into the effective potential and practically transformed into an effective potential field experienced by electrons. The explicit form of the effective potential depends on the nature of muon's vibrations and is derivable from the basis set used to expand the muonic spatial orbital. The resulting effective Hartree-Fock equations are implemented computationally and used successfully, as a proof of concept, in a series of muonic molecules containing all atoms from the second and third rows of the Periodic Table. To solve the algebraic version of the equations muon-specific Gaussian basis sets are designed for both muon and surrounding electrons and it is demonstrated that the optimized exponents are quite distinct from those derived for the hydrogen isotopes. The developed effective HF theory is quite general and in principle can be used for any muonic system while it is the starting point for a general effective electronic structure theory that incorporates various types of quantum correlations into the muonic systems beyond the HF equations.

  8. Associative nature of event participation dynamics: a network theory approach

    CERN Document Server

    Smiljanić, Jelena

    2016-01-01

    Affiliation with various social groups can be a critical factor when it comes to quality of life of every individual, making these groups an essential element of every society. The group dynamics, longevity and effectiveness strongly depend on group's ability to attract new members and keep them engaged in group activities. It was shown that high heterogeneity of scientist's engagement in conference activities of the specific scientific community depends on the balance between the number of previous attendance and non-attendance and is directly related to scientist's association with that community. Here we show that the same holds for leisure groups of Meetup website and further quantify member's association with the group. We examine how structure of personal social networks is evolving with event attendance. Our results show that member's increasing engagement in group activities is primarily associated with the strengthening of already existing ties and increase of bonding social capital. We also show tha...

  9. Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

    Science.gov (United States)

    Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

    2017-01-01

    Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

  10. Delinquency, Social Skills and the Structure of Peer Relations: Assessing Criminological Theories by Social Network Theory

    Science.gov (United States)

    Smangs, Mattias

    2010-01-01

    This article explores the plausibility of the conflicting theoretical assumptions underlying the main criminological perspectives on juvenile delinquents, their peer relations and social skills: the social ability model, represented by Sutherland's theory of differential associations, and the social disability model, represented by Hirschi's…

  11. Wilson punctured network defects in 2D q-deformed Yang-Mills theory

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, Noriaki [Kavli Institute for the Physics and Mathematics of the Universe, University of Tokyo,Kashiwa, Chiba 277-8583 (Japan)

    2016-12-14

    In the context of class S theories and 4D/2D duality relations there, we discuss the skein relations of general topological defects on the 2D side which are expected to be counterparts of composite surface-line operators in 4D class S theory. Such defects are geometrically interpreted as networks in a three dimensional space. We also propose a conjectural computational procedure for such defects in two dimensional SU(N) topological q-deformed Yang-Mills theory by interpreting it as a statistical mechanical system associated with ideal triangulations.

  12. A network theory approach for a better understanding of overland flow connectivity

    Science.gov (United States)

    Masselink, Rens; Heckmann, Tobias; Temme, Arnaud; Anders, Niels; Keesstra, Saskia

    2016-04-01

    Hydrological connectivity describes the physical coupling, or linkages of different elements within a landscape regarding (sub)surface flows. A firm understanding of hydrological connectivity is important for catchment management applications, for e.g. habitat and species protection, and for flood resistance and resilience improvement. Thinking about (geomorphological) systems as networks can lead to new insights, which has been recognised within the scientific community as well, seeing the recent increase in the use of network (graph) theory within the geosciences. Network theory supports the analysis and understanding of complex systems by providing data structures for modelling objects and their linkages, and a versatile toolbox to quantitatively appraise network structure and properties. The objective of this study was to characterise overland flow connectivity dynamics on hillslopes in a humid sub-Mediterranean environment by using a combination of high-resolution digital-terrain models, overland flow sensors and a network approach. Results showed that there are significant differences between overland flow on agricultural areas and semi-natural shrubs areas. Positive correlations between connectivity and precipitation characteristics were found, while negative correlations between connectivity and soil moisture were found, probably due to soil water repellency. The combination of a structural network to determine potential connectivity with dynamic networks to determine the actual connectivity proved a powerful tool in analysing overland flow connectivity.

  13. Can We Control Contaminant Transport In Hydrologic Networks? Application Of Control Theory Concepts To Watershed Management

    Science.gov (United States)

    Yeghiazarian, L.; Riasi, M. S.

    2016-12-01

    Although controlling the level of contamination everywhere in the surface water network may not be feasible, it is vital to maintain safe water quality levels in specific areas, e.g. recreational waters. The question then is "what is the most efficient way to fully/partially control water quality in surface water networks?". This can be posed as a control problem where the goal is to efficiently drive the system to a desired state by manipulating few input variables. Such problems reduce to (1) finding the best control locations in the network to influence the state of the system; and (2) choosing the time-variant inputs at the control locations to achieve the desired state of the system with minimum effort. We demonstrate that the optimal solution to control the level of contamination in the network can be found through application of control theory concepts to transport in dendritic surface water networks.

  14. Game Theory Meets Wireless Sensor Networks Security Requirements and Threats Mitigation: A Survey

    Directory of Open Access Journals (Sweden)

    Mohamed S. Abdalzaher

    2016-06-01

    Full Text Available We present a study of using game theory for protecting wireless sensor networks (WSNs from selfish behavior or malicious nodes. Due to scalability, low complexity and disseminated nature of WSNs, malicious attacks can be modeled effectively using game theory. In this study, we survey the different game-theoretic defense strategies for WSNs. We present a taxonomy of the game theory approaches based on the nature of the attack, whether it is caused by an external attacker or it is the result of an internal node acting selfishly or maliciously. We also present a general trust model using game theory for decision making. We, finally, identify the significant role of evolutionary games for WSNs security against intelligent attacks; then, we list several prospect applications of game theory to enhance the data trustworthiness and node cooperation in different WSNs.

  15. Game Theory Meets Wireless Sensor Networks Security Requirements and Threats Mitigation: A Survey.

    Science.gov (United States)

    Abdalzaher, Mohamed S; Seddik, Karim; Elsabrouty, Maha; Muta, Osamu; Furukawa, Hiroshi; Abdel-Rahman, Adel

    2016-06-29

    We present a study of using game theory for protecting wireless sensor networks (WSNs) from selfish behavior or malicious nodes. Due to scalability, low complexity and disseminated nature of WSNs, malicious attacks can be modeled effectively using game theory. In this study, we survey the different game-theoretic defense strategies for WSNs. We present a taxonomy of the game theory approaches based on the nature of the attack, whether it is caused by an external attacker or it is the result of an internal node acting selfishly or maliciously. We also present a general trust model using game theory for decision making. We, finally, identify the significant role of evolutionary games for WSNs security against intelligent attacks; then, we list several prospect applications of game theory to enhance the data trustworthiness and node cooperation in different WSNs.

  16. Game Theory Meets Wireless Sensor Networks Security Requirements and Threats Mitigation: A Survey

    Science.gov (United States)

    Abdalzaher, Mohamed S.; Seddik, Karim; Elsabrouty, Maha; Muta, Osamu; Furukawa, Hiroshi; Abdel-Rahman, Adel

    2016-01-01

    We present a study of using game theory for protecting wireless sensor networks (WSNs) from selfish behavior or malicious nodes. Due to scalability, low complexity and disseminated nature of WSNs, malicious attacks can be modeled effectively using game theory. In this study, we survey the different game-theoretic defense strategies for WSNs. We present a taxonomy of the game theory approaches based on the nature of the attack, whether it is caused by an external attacker or it is the result of an internal node acting selfishly or maliciously. We also present a general trust model using game theory for decision making. We, finally, identify the significant role of evolutionary games for WSNs security against intelligent attacks; then, we list several prospect applications of game theory to enhance the data trustworthiness and node cooperation in different WSNs. PMID:27367700

  17. Actor-network-theory perspective on a forestry decision support system design

    NARCIS (Netherlands)

    Boerboom, L.G.J.; Ferritti, V.

    2014-01-01

    Use of decision support systems (DSS) has thus far been framed as a social process of adoption or technical process of usability. We analyze the development of a DSS as a process of institutionalization of new as well as drift of existing practices. We write an Actor-Network-Theory (ANT) account,

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-05-18

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

  19. Development of Novel Random Network Theory-Based Approaches to Identify Network Interactions among Nitrifying Bacteria

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Cindy

    2015-07-17

    The interactions among different microbial populations in a community could play more important roles in determining ecosystem functioning than species numbers and their abundances, but very little is known about such network interactions at a community level. The goal of this project is to develop novel framework approaches and associated software tools to characterize the network interactions in microbial communities based on high throughput, large scale high-throughput metagenomics data and apply these approaches to understand the impacts of environmental changes (e.g., climate change, contamination) on network interactions among different nitrifying populations and associated microbial communities.

  20. Human behavior understanding in networked sensing theory and applications of networks of sensors

    CERN Document Server

    Spagnolo, Paolo; Distante, Cosimo

    2014-01-01

    This unique text/reference provides a broad overview of both the technical challenges in sensor network development, and the real-world applications of distributed sensing. Important aspects of distributed computing in large-scale networked sensor systems are analyzed in the context of human behavior understanding, including such topics as systems design tools and techniques, in-network signals, and information processing. Additionally, the book examines a varied range of application scenarios, covering surveillance, indexing and retrieval, patient care, industrial safety, social and ambient

  1. Fragmentation network of doubly charged methionine: Interpretation using graph theory

    Science.gov (United States)

    Ha, D. T.; Yamazaki, K.; Wang, Y.; Alcamí, M.; Maeda, S.; Kono, H.; Martín, F.; Kukk, E.

    2016-09-01

    The fragmentation of doubly charged gas-phase methionine (HO2CCH(NH2)CH2CH2SCH3) is systematically studied using the self-consistent charge density functional tight-binding molecular dynamics (MD) simulation method. We applied graph theory to analyze the large number of the calculated MD trajectories, which appears to be a highly effective and convenient means of extracting versatile information from the large data. The present theoretical results strongly concur with the earlier studied experimental ones. Essentially, the dication dissociates into acidic group CO2H and basic group C4NSH10. The former may carry a single or no charge and stays intact in most cases, whereas the latter may hold either a single or a double charge and tends to dissociate into smaller fragments. The decay of the basic group is observed to follow the Arrhenius law. The dissociation pathways to CO2H and C4NSH10 and subsequent fragmentations are also supported by ab initio calculations.

  2. eIFL (Electronic Information for Libraries): A Global Initiative of the Soros Foundations Network.

    Science.gov (United States)

    Feret, Blazej; Kay, Michael

    This paper presents the history, current status, and future development of eIFL (Electronic Information for Libraries Direct)--a large-scale project run by the Soros Foundations Network and the Open Society Institute. The project aims to provide libraries in developing countries with access to a menu of electronic information resources. In 1999,…

  3. Density Functional Reactivity Theory Characterizes Charge Separation Propensity in Proton-Coupled Electron Transfer Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Shubin [Univ. of North Carolina, Chapel Hill, NC (United States); Ess, Daniel H. [Brigham Young Univ., Provo, UT (United States); Univ. of North Carolina, Chapel Hill, NC (United States); Schauer, Cynthia [Univ. of North Carolina, Chapel Hill, NC (United States)

    2011-04-20

    Proton-coupled electron transfer (PCET) reactions occur in many biological and artificial solar energy conversion processes. In these reactions the electron is often transferred to a site distant to the proton acceptor site. In this work, we employ the dual descriptor and the electrophilic Fukui function from density functional reactivity theory (DFRT) to characterize the propensity for an electron to be transferred to a site other than the proton acceptor site. The electrophilic regions of hydrogen bond or van der Waal reactant complexes were examined using these DFRT descriptors to determine the region of space to which the electron is most likely to be transferred. This analysis shows that in PCET reactions the electrophilic region of the reactant complex does not include the proton acceptor site.

  4. Quantum Theory of Conducting Matter Newtonian Equations of Motion for a Bloch Electron

    CERN Document Server

    Fujita, Shigeji

    2007-01-01

    Quantum Theory of Conducting Matter: Newtonian Equations of Motion for a Bloch Electron targets scientists, researchers and graduate-level students focused on experimentation in the fields of physics, chemistry, electrical engineering, and material sciences. It is important that the reader have an understanding of dynamics, quantum mechanics, thermodynamics, statistical mechanics, electromagnetism and solid-state physics. Many worked-out problems are included in the book to aid the reader's comprehension of the subject. The Bloch electron (wave packet) moves by following the Newtonian equation of motion. Under an applied magnetic field B the electron circulates around the field B counterclockwise or clockwise depending on the curvature of the Fermi surface. The signs of the Hall coefficient and the Seebeck coefficient are known to give the sign of the major carrier charge. For alkali metals, both are negative, indicating that the carriers are "electrons." These features arise from the Fermi surface difference...

  5. Putting Gino's lesson to work: Actor-network theory, enacted humanity, and rehabilitation.

    Science.gov (United States)

    Abrams, Thomas; Gibson, Barbara E

    2016-02-01

    This article argues that rehabilitation enacts a particular understanding of "the human" throughout therapeutic assessment and treatment. Following Michel Callon and Vololona Rabeharisoa's "Gino's Lesson on Humanity," we suggest that this is not simply a top-down process, but is cultivated in the application and response to biomedical frameworks of human ability, competence, and responsibility. The emergence of the human is at once a materially contingent, moral, and interpersonal process. We begin the article by outlining the basics of the actor-network theory that underpins "Gino's Lesson on Humanity." Next, we elucidate its central thesis regarding how disabled personhood emerges through actor-network interactions. Section "Learning Gino's lesson" draws on two autobiographical examples, examining the emergence of humanity through rehabilitation, particularly assessment measures and the responses to them. We conclude by thinking about how rehabilitation and actor-network theory might take this lesson on humanity seriously. © The Author(s) 2016.

  6. Interpenetrating Polymer Network (IPN) Adhesives for Electron Beam Cure

    National Research Council Canada - National Science Library

    Sands, James

    2000-01-01

    Electron beam (e-beam)-processed polymer adhesives have historically performed poorly compared to traditional adhesive technologies due to a lack of toughness engineered into these new types of adhesive materials...

  7. The gender of science: reflections on the actor-network theory and the feminist perspective

    Directory of Open Access Journals (Sweden)

    Gabriel Pugliese Cardoso

    2015-06-01

    Full Text Available This article discusses some of the principles that guide the descriptive forms of the actor-network theory (ANT of Bruno Latour and feminist standpoint theory formulated by Sandra Harding and Evelyn Fox Keller, through my research on the "Marie Curie Case". As a singular case between gender and science, the goal of thispaper is to play with ANT certainties against feminist perspective uncertainties. In the other hand, the certainties of feminist perspective are put against the uncertainties of ANT. With this counterpoint we intend to promote a reaction - in the chemical sense of the word – to the descriptive forms of the actor-network theory and feminist perspective taking away the obviousness of some of their assumptions. Doing that, we explore the moves of those reactions and their effects to the description which we do about science.

  8. Modeling and dynamical topology properties of VANET based on complex networks theory

    Directory of Open Access Journals (Sweden)

    Hong Zhang

    2015-01-01

    Full Text Available Vehicular Ad hoc Network (VANET is a special subset of multi-hop Mobile Ad hoc Networks in which vehicles can not only communicate with each other but also with the fixed equipments along the roads through wireless interfaces. Recently, it has been discovered that essential systems in real world share similar properties. When they are regarded as networks, among which the dynamic topology structure of VANET system is an important issue. Many real world networks are actually growing with preferential attachment like Internet, transportation system and telephone network. Those phenomena have brought great possibility in finding a strategy to calibrate and control the topology parameters which can help find VANET topology change regulation to relieve traffic jam, prevent traffic accident and improve traffic safety. VANET is a typical complex network which has its basic characteristics. In this paper, we focus on the macroscopic Vehicle-to-Infrastructure (V2I and Vehicle-to-Vehicle (V2V inter-vehicle communication network with complex network theory. In particular, this paper is the first one to propose a method analyzing the topological structure and performance of VANET and present the communications in VANET from a new perspective. Accordingly, we propose degree distribution, clustering coefficient and the short path length of complex network to implement our strategy by numerical example and simulation. All the results demonstrate that VANET shows small world network features and is characterized by a truncated scale-free degree distribution with power-law degree distribution. The average path length of the network is simulated numerically, which indicates that the network shows small-world property and is rarely affected by the randomness. What’s more, we carry out extensive simulations of information propagation and mathematically prove the power law property when γ > 2. The results of this study provide useful information for VANET

  9. Dynamic Pricing in Electronic Commerce Using Neural Network

    Science.gov (United States)

    Ghose, Tapu Kumar; Tran, Thomas T.

    In this paper, we propose an approach where feed-forward neural network is used for dynamically calculating a competitive price of a product in order to maximize sellers’ revenue. In the approach we considered that along with product price other attributes such as product quality, delivery time, after sales service and seller’s reputation contribute in consumers purchase decision. We showed that once the sellers, by using their limited prior knowledge, set an initial price of a product our model adjusts the price automatically with the help of neural network so that sellers’ revenue is maximized.

  10. Learning network theory : its contribution to our understanding of work-based learning projects and learning climate

    NARCIS (Netherlands)

    Poell, R.F.; Moorsel, M.A.A.H. van

    1996-01-01

    This paper discusses the relevance of Van der Krogt's learning network theory (1995) for our understanding of the concepts of work-related learning projects and learning climate in organisations. The main assumptions of the learning network theory are presented and transferred to the level of

  11. Endogenous Molecular-Cellular Network Cancer Theory: A Systems Biology Approach.

    Science.gov (United States)

    Wang, Gaowei; Yuan, Ruoshi; Zhu, Xiaomei; Ao, Ping

    2018-01-01

    In light of ever apparent limitation of the current dominant cancer mutation theory, a quantitative hypothesis for cancer genesis and progression, endogenous molecular-cellular network hypothesis has been proposed from the systems biology perspective, now for more than 10 years. It was intended to include both the genetic and epigenetic causes to understand cancer. Its development enters the stage of meaningful interaction with experimental and clinical data and the limitation of the traditional cancer mutation theory becomes more evident. Under this endogenous network hypothesis, we established a core working network of hepatocellular carcinoma (HCC) according to the hypothesis and quantified the working network by a nonlinear dynamical system. We showed that the two stable states of the working network reproduce the main known features of normal liver and HCC at both the modular and molecular levels. Using endogenous network hypothesis and validated working network, we explored genetic mutation pattern in cancer and potential strategies to cure or relieve HCC from a totally new perspective. Patterns of genetic mutations have been traditionally analyzed by posteriori statistical association approaches in light of traditional cancer mutation theory. One may wonder the possibility of a priori determination of any mutation regularity. Here, we found that based on the endogenous network theory the features of genetic mutations in cancers may be predicted without any prior knowledge of mutation propensities. Normal hepatocyte and cancerous hepatocyte stable states, specified by distinct patterns of expressions or activities of proteins in the network, provide means to directly identify a set of most probable genetic mutations and their effects in HCC. As the key proteins and main interactions in the network are conserved through cell types in an organism, similar mutational features may also be found in other cancers. This analysis yielded straightforward and testable

  12. Electronic structure of lanthanum bromide and strontium iodide from many-body perturbation theory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Erhart, Paul [Applied Physics, Chalmers University of Technology, Gothenburg (Sweden); Lawrence Livermore National Laboratory, Livermore, California (United States); Aaberg, Daniel; Sadigh, Babak [Lawrence Livermore National Laboratory, Livermore, California (United States)

    2012-07-01

    Rare-earth based scintillators represent a challenging class of scintillator materials due to pronounced spin-orbit coupling and subtle interactions between d and f states that cannot be reproduced by standard electronic structure methods such as density functional theory. In this contribution we present a detailed investigation of the electronic band structure of LaBr{sub 3} using the quasi-p article self-consistent GW (scGW) method. This parameter-free approach is shown to yield an excellent description of the electronic structure of LaBr{sub 3}. Specifically we reproduce the correct level ordering and spacing of the 4f and 5d states, which are inverted with respect to the free La atom, the band gap as well as the spin-orbit splitting of La-derived states. We furthermore present electronic structure calculations using G{sub 0}W{sub 0} for the important scintillator material SrI{sub 2}. We explicitly take into account spin-orbit coupling at all levels of the theory. Our results demonstrate the applicability and reliability of the scGW approach for rare-earth halides. They furthermore provide an excellent starting point for investigating the electronic structure of rare-earth dopants such as Ce and Er.

  13. Team Sports Performance Analysed Through the Lens of Social Network Theory: Implications for Research and Practice.

    Science.gov (United States)

    Ribeiro, João; Silva, Pedro; Duarte, Ricardo; Davids, Keith; Garganta, Júlio

    2017-09-01

    This paper discusses how social network analyses and graph theory can be implemented in team sports performance analyses to evaluate individual (micro) and collective (macro) performance data, and how to use this information for designing practice tasks. Moreover, we briefly outline possible limitations of social network studies and provide suggestions for future research. Instead of cataloguing discrete events or player actions, it has been argued that researchers need to consider the synergistic interpersonal processes emerging between teammates in competitive performance environments. Theoretical assumptions on team coordination prompted the emergence of innovative, theoretically driven methods for assessing collective team sport behaviours. Here, we contribute to this theoretical and practical debate by re-conceptualising sports teams as complex social networks. From this perspective, players are viewed as network nodes, connected through relevant information variables (e.g. a ball-passing action), sustaining complex patterns of interaction between teammates (e.g. a ball-passing network). Specialised tools and metrics related to graph theory could be applied to evaluate structural and topological properties of interpersonal interactions of teammates, complementing more traditional analysis methods. This innovative methodology moves beyond the use of common notation analysis methods, providing a richer understanding of the complexity of interpersonal interactions sustaining collective team sports performance. The proposed approach provides practical applications for coaches, performance analysts, practitioners and researchers by establishing social network analyses as a useful approach for capturing the emergent properties of interactions between players in sports teams.

  14. An application of the graph theory which examines the metro networks

    Directory of Open Access Journals (Sweden)

    Svetla STOILOVA

    2015-06-01

    Full Text Available The graph theory gives a mathematical representation of transport networks and allows us to study their characteristics effectively. A research of the structure of metro system has been conducted in the study by using the graph theory. The study includes subway systems of 22 European capitals. New indicators have been defined in the research such as a degree of routing, a connectivity of the route, average length per link (which takes into account the number of routes, intensity of the route, density of the route. The new and the existing indicators have been used to analyze and classify the metro networks. The statistical method cluster analysis has been applied to classify the networks. Ten indicators have been used to carry out an analysis. The metro systems in European capitals have been classified in three clusters. The first cluster includes large metro systems, the second one includes small metro networks whereas the third cluster includes metro networks with only one line. The combination of both two methods has been used for the first time in this research. The methodology could be used to evaluate other existing metro networks as well as for preliminary analysis in the design of subway systems.

  15. The charger transfer electronic coupling in diabatic perspective: A multi-state density functional theory study

    Science.gov (United States)

    Guo, Xinwei; Qu, Zexing; Gao, Jiali

    2018-01-01

    The multi-state density functional theory (MSDFT) provides a convenient way to estimate electronic coupling of charge transfer processes based on a diabatic representation. Its performance has been benchmarked against the HAB11 database with a mean unsigned error (MUE) of 17 meV between MSDFT and ab initio methods. The small difference may be attributed to different representations, diabatic from MSDFT and adiabatic from ab initio calculations. In this discussion, we conclude that MSDFT provides a general and efficient way to estimate the electronic coupling for charge-transfer rate calculations based on the Marcus-Hush model.

  16. Quantum chemistry the development of ab initio methods in molecular electronic structure theory

    CERN Document Server

    Schaefer III, Henry F

    2004-01-01

    This guide is guaranteed to prove of keen interest to the broad spectrum of experimental chemists who use electronic structure theory to assist in the interpretation of their laboratory findings. A list of 150 landmark papers in ab initio molecular electronic structure methods, it features the first page of each paper (which usually encompasses the abstract and introduction). Its primary focus is methodology, rather than the examination of particular chemical problems, and the selected papers either present new and important methods or illustrate the effectiveness of existing methods in predi

  17. Wintelism and Production Networks in the Electronics Industry

    NARCIS (Netherlands)

    van de Gevel, A.J.W.

    1997-01-01

    This paper deals with two interrelated elements of globalization: Wintelism and cross national production networks which have been underexposed in discussions about globalization.Wintelism refers to the shift in competition away from final assembly and vertical control of markets by final assemblers

  18. Bohr's Electron was Problematic for Einstein: String Theory Solved the Problem

    Science.gov (United States)

    Webb, William

    2013-04-01

    Neils Bohr's 1913 model of the hydrogen electron was problematic for Albert Einstein. Bohr's electron rotates with positive kinetic energies +K but has addition negative potential energies - 2K. The total net energy is thus always negative with value - K. Einstein's special relativity requires energies to be positive. There's a Bohr negative energy conflict with Einstein's positive energy requirement. The two men debated the problem. Both would have preferred a different electron model having only positive energies. Bohr and Einstein couldn't find such a model. But Murray Gell-Mann did! In the 1960's, Gell-Mann introduced his loop-shaped string-like electron. Now, analysis with string theory shows that the hydrogen electron is a loop of string-like material with a length equal to the circumference of the circular orbit it occupies. It rotates like a lariat around its centered proton. This loop-shape has no negative potential energies: only positive +K relativistic kinetic energies. Waves induced on loop-shaped electrons propagate their energy at a speed matching the tangential speed of rotation. With matching wave speed and only positive kinetic energies, this loop-shaped electron model is uniquely suited to be governed by the Einstein relativistic equation for total mass-energy. Its calculated photon emissions are all in excellent agreement with experimental data and, of course, in agreement with those -K calculations by Neils Bohr 100 years ago. Problem solved!

  19. Information Functional Theory: Electronic Properties as Functionals of Information for Atoms and Molecules.

    Science.gov (United States)

    Zhou, Xia-Yu; Rong, Chunying; Lu, Tian; Zhou, Panpan; Liu, Shubin

    2016-05-26

    How to accurately predict electronic properties of a Columbic system with the electron density obtained from experiments such as X-ray crystallography is still an unresolved problem. The information-theoretic approach recently developed in the framework of density functional reactivity theory is one of the efforts to address the issue. In this work, using 27 atoms and 41 molecules as illustrative examples, we present a study to demonstrate that one is able to satisfactorily describe such electronic properties as the total energy and its components with information-theoretic quantities like Shannon entropy, Fisher information, Ghosh-Berkowitz-Parr entropy, and Onicescu information energy. Closely related to the earlier attempt of expanding density functionals using simple homogeneous functionals, this work not only confirms Nagy's proof that Shannon entropy alone should contain all the information needed to adequately describe an electronic system but also provides a feasible pathway to map the relationship between the experimentally available electron density and various electronic properties for Columbic systems such as atoms and molecules. Extensions to other electronic properties are straightforward.

  20. The Kinetic Energy of Hydrocarbons as a Function of Electron Density and Convolutional Neural Networks

    CERN Document Server

    Yao, Kun

    2015-01-01

    We demonstrate a convolutional neural network trained to reproduce the Kohn-Sham kinetic energy of hydrocarbons from electron density. The output of the network is used as a non-local correction to the conventional local and semi-local kinetic functionals. We show that this approximation qualitatively reproduces Kohn-Sham potential energy surfaces when used with conventional exchange correlation functionals. Numerical noise inherited from the non-linearity of the neural network is identified as the major challenge for the model. Finally we examine the features in the density learned by the neural network to anticipate the prospects of generalizing these models.

  1. Quantum theory of the electronic and optical properties of low-dimensional semiconductor systems

    Science.gov (United States)

    Lau, Wayne Heung

    This thesis examines the electronic and optical properties of low-dimensional semiconductor systems. A theory is developed to study the electron-hole generation-recombination process of type-II semimetallic semiconductor heterojunctions based on a 3 x 3 k·p matrix Hamiltonian (three-band model) and an 8 x 8 k·p matrix Hamiltonian (eight-band model). A novel electron-hole generation and recombination process, which is called activationless generation-recombination process, is predicted. It is demonstrated that the current through the type-II semimetallic semiconductor heterojunctions is governed by the activationless electron-hole generation-recombination process at the heterointerfaces, and that the current-voltage characteristics are essentially linear. A qualitative agreement between theory and experiments is observed. The numerical results of the eight-band model are compared with those of the threeband model. Based on a lattice gas model, a theory is developed to study the influence of a random potential on the ionization equilibrium conditions for bound electron-hole pairs (excitons) in III--V semiconductor heterostructures. It is demonstrated that ionization equilibrium conditions for bound electron-hole pairs change drastically in the presence of strong disorder. It is predicted that strong disorder promotes dissociation of excitons in III--V semiconductor heterostructures. A theory of polariton (photon dressed by phonon) spontaneous emission in a III--V semiconductor doped with semiconductor quantum dots (QDs) or quantum wells (QWs) is developed. For the first time, superradiant and subradiant polariton spontaneous emission phenomena in a polariton-QD (QW) coupled system are predicted when the resonance energies of the two identical QDs (QWs) lie outside the polaritonic energy gap. It is also predicted that when the resonance energies of the two identical QDs (QWs) lie inside the polaritonic energy gap, spontaneous emission of polariton in the polariton

  2. First-principles electronic theory of non-collinear magnetic order in transition-metal nanowires

    OpenAIRE

    Tanveer, Muhammad

    2014-01-01

    The structural, electronic and magnetic properties of one-dimensional 3d transition-metal (TM) monoatomic chains having linear, zigzag and ladder geometries are investigated in the frame-work of first-principles density-functional theory. The stability of long-range magnetic order along the nanowires is determined by computing the corresponding frozen-magnon dispersion relations as a function of the 'spin-wave' vector q. First, we show that the ground-state magnetic orders...

  3. Integrating clinical theory and practice in an epilepsy-specific electronic patient record.

    LENUS (Irish Health Repository)

    Breen, Patricia

    2009-01-01

    This study\\'s objective was to assess the usability of the epilepsy history module of the electronic patient record, developed at Beaumont Hospital, and to identify opportunities for improvement. Observation, interview and document analysis methods were used. Results indicated that the module was useable but the design did not work as well in practice as anticipated by theory. The next iteration of the module included identified enhancements; this iteration is currently in use.

  4. Cyberspace Assurance Metrics: Utilizing Models of Networks, Complex Systems Theory, Multidimensional Wavelet Analysis, and Generalized Entrophy Measures

    National Research Council Canada - National Science Library

    Johnson, Joseph E; Gudkov, Vladimir

    2005-01-01

    ... as continuous group theory and Markov processes. Based upon this research he has proposed that entropy metrics, and the associated cluster analysis of the network so measured by these metrics, can be useful indicators of aberrant processes and behavior. Other team members have obtained important connections using higher order Renyi entropy metrics, and complexity theory to both monitor real networks and to study networks by simulation.

  5. Theory of quantum-circuit refrigeration by photon-assisted electron tunneling

    Science.gov (United States)

    Silveri, Matti; Grabert, Hermann; Masuda, Shumpei; Tan, Kuan Yen; Möttönen, Mikko

    2017-09-01

    We focus on a recently experimentally realized scenario of normal-metal-insulator-superconductor tunnel junctions coupled to a superconducting resonator. We develop a first-principles theory to describe the effect of photon-assisted electron tunneling on the quantum state of the resonator. Our results are in very good quantitative agreement with the previous experiments on refrigeration and heating of the resonator using the photon-assisted tunneling, thus providing a stringent verification of the developed theory. Importantly, our results provide simple analytical estimates of the voltage-tunable coupling strength and temperature of the thermal reservoir formed by the photon-assisted tunneling. Consequently, they are used to introduce optimization principles for initialization of quantum devices using such a quantum-circuit refrigerator. Thanks to the first-principles nature of our approach, extension of the theory to the full spectrum of quantum electric devices seems plausible.

  6. Beyond effectuation: Analysing the transformation of business ideas into ventures using actor-network theory"

    DEFF Research Database (Denmark)

    Murdock, Karen; Varnes, Claus Juul

    2018-01-01

    as new humans or non-humans become part of it. Including a resource in the network means simultaneously changing the network. This interactionism shows that what sparks interest or attracts resources to a business idea is not simply an influx of additional resources but is simultaneously a dynamic......, affordable loss, and other key concepts from this theoretical perspective. Drawing upon actor-network theory (ANT), this study demonstrates how different framing and support devices implicate different human and non-human actors in changing interpositions within the entrepreneurial process. Design...... interviews. This design allows the authors to focus on how the project emerges and is continuously supported by allies but is sometimes not supported by various human and non-human actors. Findings This study demonstrates that the entrepreneurial project undertaken by the entrepreneurial network changes...

  7. Game theory and extremal optimization for community detection in complex dynamic networks.

    Directory of Open Access Journals (Sweden)

    Rodica Ioana Lung

    Full Text Available The detection of evolving communities in dynamic complex networks is a challenging problem that recently received attention from the research community. Dynamics clearly add another complexity dimension to the difficult task of community detection. Methods should be able to detect changes in the network structure and produce a set of community structures corresponding to different timestamps and reflecting the evolution in time of network data. We propose a novel approach based on game theory elements and extremal optimization to address dynamic communities detection. Thus, the problem is formulated as a mathematical game in which nodes take the role of players that seek to choose a community that maximizes their profit viewed as a fitness function. Numerical results obtained for both synthetic and real-world networks illustrate the competitive performance of this game theoretical approach.

  8. Game theory and extremal optimization for community detection in complex dynamic networks.

    Science.gov (United States)

    Lung, Rodica Ioana; Chira, Camelia; Andreica, Anca

    2014-01-01

    The detection of evolving communities in dynamic complex networks is a challenging problem that recently received attention from the research community. Dynamics clearly add another complexity dimension to the difficult task of community detection. Methods should be able to detect changes in the network structure and produce a set of community structures corresponding to different timestamps and reflecting the evolution in time of network data. We propose a novel approach based on game theory elements and extremal optimization to address dynamic communities detection. Thus, the problem is formulated as a mathematical game in which nodes take the role of players that seek to choose a community that maximizes their profit viewed as a fitness function. Numerical results obtained for both synthetic and real-world networks illustrate the competitive performance of this game theoretical approach.

  9. Strengthening prevention program theories and evaluations: contributions from social network analysis.

    Science.gov (United States)

    Gest, Scott D; Osgood, D Wayne; Feinberg, Mark E; Bierman, Karen L; Moody, James

    2011-12-01

    A majority of school-based prevention programs target the modification of setting-level social dynamics, either explicitly (e.g., by changing schools' organizational, cultural or instructional systems that influence children's relationships), or implicitly (e.g., by altering behavioral norms designed to influence children's social affiliations and interactions). Yet, in outcome analyses of these programs, the rich and complicated set of peer network dynamics is often reduced to an aggregation of individual characteristics or assessed with methods that do not account for the interdependencies of network data. In this paper, we present concepts and analytic methods from the field of social network analysis and illustrate their great value to prevention science--both as a source of tools for refining program theories and as methods that enable more sophisticated and focused tests of intervention effects. An additional goal is to inform discussions of the broader implications of social network analysis for public health efforts.

  10. Using Social Networks Theory as a Complementary Perspective to the Study of Organizational Change

    Directory of Open Access Journals (Sweden)

    Manuel Portugal Ferreira

    2011-04-01

    Full Text Available This paper contributes to the literature on organizational change by examining organizations as social entities embedded in inter-organizational networks. In contrast with extant research that focuses on macro environmental and internal factors to explain organizational change, we put forth the social network surrounding the firm as a major driver of any change process. Specifically, we examine organizational change as driven by the organizations’ positions and relations in an interorganizational network, and advance a set of theory driven propositions on innovation, imitation, inertia, structural equivalence and structural positioning. Our conceptual discussion demonstrates that inter-organizational networks are important in complementing the macro-environment and internal organizational factors for the study of organizational changes. We conclude with a discussion on normative implications for organizations and avenues for future research.

  11. Graph Theory-Based Analysis of the Lymph Node Fibroblastic Reticular Cell Network.

    Science.gov (United States)

    Novkovic, Mario; Onder, Lucas; Bocharov, Gennady; Ludewig, Burkhard

    2017-01-01

    Secondary lymphoid organs have developed segregated niches that are able to initiate and maintain effective immune responses. Such global organization requires tight control of diverse cellular components, specifically those that regulate lymphocyte trafficking. Fibroblastic reticular cells (FRCs) form a densely interconnected network in lymph nodes and provide key factors necessary for T cell migration and retention, and foster subsequent interactions between T cells and dendritic cells. Development of integrative systems biology approaches has made it possible to elucidate this multilevel complexity of the immune system. Here, we present a graph theory-based analysis of the FRC network in murine lymph nodes, where generation of the network topology is performed using high-resolution confocal microscopy and 3D reconstruction. This approach facilitates the analysis of physical cell-to-cell connectivity, and estimation of topological robustness and global behavior of the network when it is subjected to perturbation in silico.

  12. Grand canonical electronic density-functional theory: Algorithms and applications to electrochemistry

    Science.gov (United States)

    Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.

    2017-03-01

    First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.

  13. Ferricytochrome c oxidation of cobaltocytochrome c. Comparison of experiments with electron-transfer theories.

    Science.gov (United States)

    Chien, J C; Gibson, H L; Dickinson, L C

    1978-06-27

    Electron transfer from cobaltocytochrome c to ferricytochrome c has been studied by stopped-flow kinetics. The second-order rate constant at pH 7.0, 0.1 ionic strenght, 0.2 M phosphate, and 25 degrees C is 8.3 x 103 M-1 s-1. The activation parameters obtained from measurements made between 20 and 50 degrees C are deltaHnot equal to = 2.3 kcal mol-1 and deltaSnot equal to = -33 eu. The rate constant is not significantly dependent on ionic strength; it is also relatively independent of pH between the pK values for conformation transitions. The rate diminishes at pH greater than 12. The self-exchange reaction of cobalt cytochrome c was investigated with pulsed Fourier transform 1H NMR. The rate is too slow on the 1H NMR scale; it is estimated to be less than 133 M-1 s-1. These results together with the self-exchange rates of iron cytochrome c [Gupta, R.K., Koenig, S. H., and Redfield, A. G. (1972), J. Magn. Reson. 7, 66] were analyzed by theories of Jortner and Hopfield. The theories predict the self-exchange of Cocyt c to be too slow for 1H NMR determination. The rate constant calculated by the nonadiabatic multiphonon electron-tunneling theory for the Fecyt c-Fecyt c+ and Cocyt c-Fecyt c+ electron transfers are in good agreement with experiments.

  14. Extending unified-theory-of-reinforcement neural networks to steady-state operant behavior.

    Science.gov (United States)

    Calvin, Olivia L; McDowell, J J

    2016-06-01

    The unified theory of reinforcement has been used to develop models of behavior over the last 20 years (Donahoe et al., 1993). Previous research has focused on the theory's concordance with the respondent behavior of humans and animals. In this experiment, neural networks were developed from the theory to extend the unified theory of reinforcement to operant behavior on single-alternative variable-interval schedules. This area of operant research was selected because previously developed neural networks could be applied to it without significant alteration. Previous research with humans and animals indicates that the pattern of their steady-state behavior is hyperbolic when plotted against the obtained rate of reinforcement (Herrnstein, 1970). A genetic algorithm was used in the first part of the experiment to determine parameter values for the neural networks, because values that were used in previous research did not result in a hyperbolic pattern of behavior. After finding these parameters, hyperbolic and other similar functions were fitted to the behavior produced by the neural networks. The form of the neural network's behavior was best described by an exponentiated hyperbola (McDowell, 1986; McLean and White, 1983; Wearden, 1981), which was derived from the generalized matching law (Baum, 1974). In post-hoc analyses the addition of a baseline rate of behavior significantly improved the fit of the exponentiated hyperbola and removed systematic residuals. The form of this function was consistent with human and animal behavior, but the estimated parameter values were not. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Network topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses.

    Science.gov (United States)

    Akola, Jaakko; Kohara, Shinji; Ohara, Koji; Fujiwara, Akihiko; Watanabe, Yasuhiro; Masuno, Atsunobu; Usuki, Takeshi; Kubo, Takashi; Nakahira, Atsushi; Nitta, Kiyofumi; Uruga, Tomoya; Weber, J K Richard; Benmore, Chris J

    2013-06-18

    Glass formation in the CaO-Al2O3 system represents an important phenomenon because it does not contain typical network-forming cations. We have produced structural models of CaO-Al2O3 glasses using combined density functional theory-reverse Monte Carlo simulations and obtained structures that reproduce experiments (X-ray and neutron diffraction, extended X-ray absorption fine structure) and result in cohesive energies close to the crystalline ground states. The O-Ca and O-Al coordination numbers are similar in the eutectic 64 mol % CaO (64CaO) glass [comparable to 12CaO·7Al2O3 (C12A7)], and the glass structure comprises a topologically disordered cage network with large-sized rings. This topologically disordered network is the signature of the high glass-forming ability of 64CaO glass and high viscosity in the melt. Analysis of the electronic structure reveals that the atomic charges for Al are comparable to those for Ca, and the bond strength of Al-O is stronger than that of Ca-O, indicating that oxygen is more weakly bound by cations in CaO-rich glass. The analysis shows that the lowest unoccupied molecular orbitals occurs in cavity sites, suggesting that the C12A7 electride glass [Kim SW, Shimoyama T, Hosono H (2011) Science 333(6038):71-74] synthesized from a strongly reduced high-temperature melt can host solvated electrons and bipolarons. Calculations of 64CaO glass structures with few subtracted oxygen atoms (additional electrons) confirm this observation. The comparable atomic charges and coordination of the cations promote more efficient elemental mixing, and this is the origin of the extended cage structure and hosted solvated (trapped) electrons in the C12A7 glass.

  16. Two-electron Rabi oscillations in real-time time-dependent density-functional theory.

    Science.gov (United States)

    Habenicht, Bradley F; Tani, Noriyuki P; Provorse, Makenzie R; Isborn, Christine M

    2014-11-14

    We investigate the Rabi oscillations of electrons excited by an applied electric field in several simple molecular systems using time-dependent configuration interaction (TDCI) and real-time time-dependent density-functional theory (RT-TDDFT) dynamics. While the TDCI simulations exhibit the expected single-electron Rabi oscillations at a single resonant electric field frequency, Rabi oscillations in the RT-TDDFT simulations are a two-electron process. The existence of two-electron Rabi oscillations is determined both by full population inversion between field-free molecular orbitals and the behavior of the instantaneous dipole moment during the simulations. Furthermore, the Rabi oscillations in RT-TDDFT are subject to an intensity threshold of the electric field, below which Rabi oscillations do not occur and above which the two-electron Rabi oscillations occur at a broad range of frequencies. It is also shown that at field intensities near the threshold intensity, the field frequency predicted to induce Rabi oscillations by linear response TDDFT only produces detuned Rabi oscillations. Instead, the field frequency that yields the full two-electron population inversion and Rabi oscillation behavior is shown to be the average of single-electron transition frequencies from the ground S0 state and the doubly-excited S2 state. The behavior of the two-electron Rabi oscillations is rationalized via two possible models. The first model is a multi-photon process that results from the electric field interacting with the three level system such that three level Rabi oscillations may occur. The second model suggests that the mean-field nature of RT-TDDFT induces paired electron propagation.

  17. Indications of marine bioinvasion from network theory. An analysis of the global cargo ship network

    NARCIS (Netherlands)

    Kölzsch, A.; Blasius, B.

    2011-01-01

    The transport of huge amounts of small aquatic organisms in the ballast tanks and at the hull of large cargo ships leads to ever increasing rates of marine bioinvasion. In this study, we apply a network theoretic approach to examine the introduction of invasive species into new ports by global

  18. Connectomics and graph theory analyses: Novel insights into network abnormalities in epilepsy.

    Science.gov (United States)

    Gleichgerrcht, Ezequiel; Kocher, Madison; Bonilha, Leonardo

    2015-11-01

    The assessment of neural networks in epilepsy has become increasingly relevant in the context of translational research, given that localized forms of epilepsy are more likely to be related to abnormal function within specific brain networks, as opposed to isolated focal brain pathology. It is notable that variability in clinical outcomes from epilepsy treatment may be a reflection of individual patterns of network abnormalities. As such, network endophenotypes may be important biomarkers for the diagnosis and treatment of epilepsy. Despite its exceptional potential, measuring abnormal networks in translational research has been thus far constrained by methodologic limitations. Fortunately, recent advancements in neuroscience, particularly in the field of connectomics, permit a detailed assessment of network organization, dynamics, and function at an individual level. Data from the personal connectome can be assessed using principled forms of network analyses based on graph theory, which may disclose patterns of organization that are prone to abnormal dynamics and epileptogenesis. Although the field of connectomics is relatively new, there is already a rapidly growing body of evidence to suggest that it can elucidate several important and fundamental aspects of abnormal networks to epilepsy. In this article, we provide a review of the emerging evidence from connectomics research regarding neural network architecture, dynamics, and function related to epilepsy. We discuss how connectomics may bring together pathophysiologic hypotheses from conceptual and basic models of epilepsy and in vivo biomarkers for clinical translational research. By providing neural network information unique to each individual, the field of connectomics may help to elucidate variability in clinical outcomes and open opportunities for personalized medicine approaches to epilepsy. Connectomics involves complex and rich data from each subject, thus collaborative efforts to enable the

  19. GTRF: a game theory approach for regulating node behavior in real-time wireless sensor networks.

    Science.gov (United States)

    Lin, Chi; Wu, Guowei; Pirozmand, Poria

    2015-06-04

    The selfish behaviors of nodes (or selfish nodes) cause packet loss, network congestion or even void regions in real-time wireless sensor networks, which greatly decrease the network performance. Previous methods have focused on detecting selfish nodes or avoiding selfish behavior, but little attention has been paid to regulating selfish behavior. In this paper, a Game Theory-based Real-time & Fault-tolerant (GTRF) routing protocol is proposed. GTRF is composed of two stages. In the first stage, a game theory model named VA is developed to regulate nodes' behaviors and meanwhile balance energy cost. In the second stage, a jumping transmission method is adopted, which ensures that real-time packets can be successfully delivered to the sink before a specific deadline. We prove that GTRF theoretically meets real-time requirements with low energy cost. Finally, extensive simulations are conducted to demonstrate the performance of our scheme. Simulation results show that GTRF not only balances the energy cost of the network, but also prolongs network lifetime.

  20. Counterintuitive electron localisation from density-functional theory with polarisable solvent models

    Energy Technology Data Exchange (ETDEWEB)

    Dale, Stephen G., E-mail: sdale@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States); Johnson, Erin R., E-mail: erin.johnson@dal.ca [Department of Chemistry, Dalhousie University, 6274 Coburg Road, Halifax, Nova Scotia B3H 4R2 (Canada)

    2015-11-14

    Exploration of the solvated electron phenomena using density-functional theory (DFT) generally results in prediction of a localised electron within an induced solvent cavity. However, it is well known that DFT favours highly delocalised charges, rendering the localisation of a solvated electron unexpected. We explore the origins of this counterintuitive behaviour using a model Kevan-structure system. When a polarisable-continuum solvent model is included, it forces electron localisation by introducing a strong energetic bias that favours integer charges. This results in the formation of a large energetic barrier for charge-hopping and can cause the self-consistent field to become trapped in local minima thus converging to stable solutions that are higher in energy than the ground electronic state. Finally, since the bias towards integer charges is caused by the polarisable continuum, these findings will also apply to other classical polarisation corrections, as in combined quantum mechanics and molecular mechanics (QM/MM) methods. The implications for systems beyond the solvated electron, including cationic DNA bases, are discussed.

  1. A quantitative theory of the functions of the hippocampal CA3 network in memory.

    Science.gov (United States)

    Rolls, Edmund T

    2013-01-01

    A quantitative computational theory of the operation of the hippocampal CA3 system as an autoassociation or attractor network used in episodic memory system is described. In this theory, the CA3 system operates as a single attractor or autoassociation network to enable rapid, one-trial, associations between any spatial location (place in rodents, or spatial view in primates) and an object or reward, and to provide for completion of the whole memory during recall from any part. The theory is extended to associations between time and object or reward to implement temporal order memory, also important in episodic memory. The dentate gyrus (DG) performs pattern separation by competitive learning to produce sparse representations suitable for setting up new representations in CA3 during learning, producing for example neurons with place-like fields from entorhinal cortex grid cells. The dentate granule cells produce by the very small number of mossy fiber (MF) connections to CA3 a randomizing pattern separation effect important during learning but not recall that separates out the patterns represented by CA3 firing to be very different from each other, which is optimal for an unstructured episodic memory system in which each memory must be kept distinct from other memories. The direct perforant path (pp) input to CA3 is quantitatively appropriate to provide the cue for recall in CA3, but not for learning. Tests of the theory including hippocampal subregion analyses and hippocampal NMDA receptor knockouts are described, and support the theory.

  2. The Construction of Higher Education Entrepreneur Services Network System a Research Based on Ecological Systems Theory

    Science.gov (United States)

    Xue, Jingxin

    The article aims to completely, systematically and objectively analyze the current situation of Entrepreneurship Education in China with Ecological Systems Theory. From this perspective, the author discusses the structure, function and its basic features of higher education entrepreneur services network system, and puts forward the opinion that every entrepreneurship organization in higher education institution does not limited to only one platform. Different functional supporting platforms should be combined closed through composite functional organization to form an integrated network system, in which each unit would impels others' development.

  3. On the Contributions of a Network Approach to Personality Theory and Research.

    Science.gov (United States)

    Furr, R Michael; Fleeson, William; Anderson, Michelle; Arnold, Elizabeth Mayfield

    2012-07-01

    Understanding personality structure and processes is one of the most fundamental goals in personality psychology. The network approach presented by Cramer et al. represents a useful path toward this goal, and we address two facets of their approach. First, we examine the possibility that it solves the problem of breadth, which has inhibited the integration of trait theory with social cognitive theory. Second, we evaluate the value and usability of their proposed method (qgraph), doing so by conducting idiographic analyses of the symptom structure of Borderline Personality Disorder.

  4. Network analysis for a network disorder: The emerging role of graph theory in the study of epilepsy.

    Science.gov (United States)

    Bernhardt, Boris C; Bonilha, Leonardo; Gross, Donald W

    2015-09-01

    Recent years have witnessed a paradigm shift in the study and conceptualization of epilepsy, which is increasingly understood as a network-level disorder. An emblematic case is temporal lobe epilepsy (TLE), the most common drug-resistant epilepsy that is electroclinically defined as a focal epilepsy and pathologically associated with hippocampal sclerosis. In this review, we will summarize histopathological, electrophysiological, and neuroimaging evidence supporting the concept that the substrate of TLE is not limited to the hippocampus alone, but rather is broadly distributed across multiple brain regions and interconnecting white matter pathways. We will introduce basic concepts of graph theory, a formalism to quantify topological properties of complex systems that has recently been widely applied to study networks derived from brain imaging and electrophysiology. We will discuss converging graph theoretical evidence indicating that networks in TLE show marked shifts in their overall topology, providing insight into the neurobiology of TLE as a network-level disorder. Our review will conclude by discussing methodological challenges and future clinical applications of this powerful analytical approach. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Application of Chaos Theory and Artificial Neural Networks to Evaluate Evaporation from Lake's Water Surface

    Directory of Open Access Journals (Sweden)

    Saeed Farzin

    2017-06-01

    Full Text Available Introduction: Dynamic nature of hydrological phenomena and the limited availability of appropriate mathematical tools caused the most previous studies in this field led to the random and the probabilistic approach. So selection the best model for evaluation of these phenomena is essential and complex. Nowadays different models are used for evaluation and prediction of hydrological phenomena. Damle and Yalcin (2007 estimated river runoff by chaos theory. khatibi et al (2012 used artificial neural network and gene expression programming to predict relative humidity. Zounemat and Kisi (2015 evaluated chaotic behavior of marine wind-wave system of Caspian sea. One of the important hydrological phenomena is evaporation, especially in lakes. The investigation of deterministic and stochastic behavior of water evaporation values in the lakes in order to select the best simulation approach and capable of prediction is an important and controversial issue that has been studied in this research. Materials and Methods: In the present paper, monthly values of evaporation are evaluated by two different models. Chaos theory and artificial neural network are used for the analysis of stochastic behavior and capability of prediction of water evaporation values in the Urmia Lake in northwestern of Iran. In recent years, Urmia Lake has unpleasant changes and drop in water level due to inappropriate management and climate change. One of the important factors related to climate change, is evaporation. Urmia Lake is a salt lake, and because of existence valuable ecology, environmental issues and maintenance of ecosystems of this lake are very important. So evaporation can have an essential role in the salinity, environmental and the hydrological cycle of the lake. In this regard, according to the ability of chaos theory and artificial neural network to analysis nonlinear dynamic systems; monthly values of evaporation, during a 40-year period, are investigated and then

  6. The BIOSCI electronic newsgroup network for the biological sciences. Final report, October 1, 1992--June 30, 1996

    Energy Technology Data Exchange (ETDEWEB)

    Kristofferson, D.; Mack, D.

    1996-10-01

    This is the final report for a DOE funded project on BIOSCI Electronic Newsgroup Network for the biological sciences. A usable network for scientific discussion, major announcements, problem solving, etc. has been created.

  7. Scanning electron microscopy investigation of fibrin networks after thermal injury

    Directory of Open Access Journals (Sweden)

    Etheresia Pretorius

    2011-02-01

    Full Text Available Injury due to burning is known to impact on coagulation and haemostasis by disturbing the coagulation cascade and is also associated with impaired fibrinolysis. Also, venous thrombosis, pulmonary embolism and hypercoagulability are common during thermal injury. Using a Wistar albino rat model, we investigated in this study whether burn injury affects the ultrastructure of the fibrin networks. A typical fibrin network will contain mostly major, thick fibres with minor, thin fibres distributed amongst them. We found that the clot architecture changes after burn injury, showing more prominent minor, thin fibres in a netted appearance. Also, the clot showed areas of matted fibrin. We suggest that the thrombotic events associated with burn injury are due to the thickened and netlike areas formed when thrombin activates the coagulation cascade. This is due to impaired fibrinolysis activities, causing the resulting fibrin clots not to be successfully disseminated. Small fragments of these netted, clumped areas may therefore break loose and lead to thrombotic events after burn injuries. The current study therefore provided morphological evidence for thrombotic events associated with burn injury.

  8. Constructing gene co-expression networks and predicting functions of unknown genes by random matrix theory

    Science.gov (United States)

    Luo, Feng; Yang, Yunfeng; Zhong, Jianxin; Gao, Haichun; Khan, Latifur; Thompson, Dorothea K; Zhou, Jizhong

    2007-01-01

    Background Large-scale sequencing of entire genomes has ushered in a new age in biology. One of the next grand challenges is to dissect the cellular networks consisting of many individual functional modules. Defining co-expression networks without ambiguity based on genome-wide microarray data is difficult and current methods are not robust and consistent with different data sets. This is particularly problematic for little understood organisms since not much existing biological knowledge can be exploited for determining the threshold to differentiate true correlation from random noise. Random matrix theory (RMT), which has been widely and successfully used in physics, is a powerful approach to distinguish system-specific, non-random properties embedded in complex systems from random noise. Here, we have hypothesized that the universal predictions of RMT are also applicable to biological systems and the correlation threshold can be determined by characterizing the correlation matrix of microarray profiles using random matrix theory. Results Application of random matrix theory to microarray data of S. oneidensis, E. coli, yeast, A. thaliana, Drosophila, mouse and human indicates that there is a sharp transition of nearest neighbour spacing distribution (NNSD) of correlation matrix after gradually removing certain elements insider the matrix. Testing on an in silico modular model has demonstrated that this transition can be used to determine the correlation threshold for revealing modular co-expression networks. The co-expression network derived from yeast cell cycling microarray data is supported by gene annotation. The topological properties of the resulting co-expression network agree well with the general properties of biological networks. Computational evaluations have showed that RMT approach is sensitive and robust. Furthermore, evaluation on sampled expression data of an in silico modular gene system has showed that under-sampled expressions do not affect the

  9. Constructing gene co-expression networks and predicting functions of unknown genes by random matrix theory.

    Science.gov (United States)

    Luo, Feng; Yang, Yunfeng; Zhong, Jianxin; Gao, Haichun; Khan, Latifur; Thompson, Dorothea K; Zhou, Jizhong

    2007-08-14

    Large-scale sequencing of entire genomes has ushered in a new age in biology. One of the next grand challenges is to dissect the cellular networks consisting of many individual functional modules. Defining co-expression networks without ambiguity based on genome-wide microarray data is difficult and current methods are not robust and consistent with different data sets. This is particularly problematic for little understood organisms since not much existing biological knowledge can be exploited for determining the threshold to differentiate true correlation from random noise. Random matrix theory (RMT), which has been widely and successfully used in physics, is a powerful approach to distinguish system-specific, non-random properties embedded in complex systems from random noise. Here, we have hypothesized that the universal predictions of RMT are also applicable to biological systems and the correlation threshold can be determined by characterizing the correlation matrix of microarray profiles using random matrix theory. Application of random matrix theory to microarray data of S. oneidensis, E. coli, yeast, A. thaliana, Drosophila, mouse and human indicates that there is a sharp transition of nearest neighbour spacing distribution (NNSD) of correlation matrix after gradually removing certain elements insider the matrix. Testing on an in silico modular model has demonstrated that this transition can be used to determine the correlation threshold for revealing modular co-expression networks. The co-expression network derived from yeast cell cycling microarray data is supported by gene annotation. The topological properties of the resulting co-expression network agree well with the general properties of biological networks. Computational evaluations have showed that RMT approach is sensitive and robust. Furthermore, evaluation on sampled expression data of an in silico modular gene system has showed that under-sampled expressions do not affect the recovery of gene

  10. A complex network theory approach for optimizing contamination warning sensor location in water distribution networks

    OpenAIRE

    Nazempour, Rezvan; Monfared, Mohammad Ali Saniee; Zio, Enrico

    2016-01-01

    Drinking water for human health and well-being is crucial. Accidental and intentional water contamination can pose great danger to consumers. Optimal design of a system that can quickly detect the presence of contamination in a water distribution network is very challenging for technical and operational reasons. However, on the one hand improvement in chemical and biological sensor technology has created the possibility of designing efficient contamination detection systems. On the other hand...

  11. Theory and simulation of an inverse free-electron laser experiment

    Science.gov (United States)

    Gou, S. K.; Bhattacharjee, A.; Fang, J.-M.; Marshall, T. C.

    1997-03-01

    An experimental demonstration of the acceleration of electrons using a high-power CO2 laser interacting with a relativistic electron beam moving along a wiggler has been carried out at the Accelerator Test Facility of the Brookhaven National Laboratory [Phys. Rev. Lett. 77, 2690 (1996)]. The data generated by this inverse free-electron-laser (IFEL) experiment are studied by means of theory and simulation. Included in the simulations are such effects as: a low-loss metallic waveguide with a dielectric coating on the walls; multi-mode coupling due to self-consistent interaction between the electrons and the optical wave; space charge; energy spread of the electrons; and arbitrary wiggler-field profile. Two types of wiggler profile are considered: a linear taper of the period, and a step-taper of the period. (The period of the wiggler is ˜3 cm, its magnetic field is ˜1 T, and the wiggler length is 0.47 m.) The energy increment of the electrons (˜1-2%) is analyzed in detail as a function of laser power, wiggler parameters, and the initial beam energy (˜40 MeV). At a laser power level ˜0.5 Gw, the simulation results on energy gain are in reasonable agreement with the experimental results. Preliminary results on the electron energy distribution at the end of the IFEL are presented. Whereas the experiment produces a near-monotone distribution of electron energies with the peak shifted to higher energy, the simulation shows a more structured and non-monotonic distribution at the end of the wiggler. Effects that may help reconcile these differences are considered.

  12. GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code

    Science.gov (United States)

    Huhn, William Paul; Lange, Björn; Yu, Victor; Blum, Volker; Lee, Seyong; Yoon, Mina

    Density-functional theory has been well established as the dominant quantum-mechanical computational method in the materials community. Large accurate simulations become very challenging on small to mid-scale computers and require high-performance compute platforms to succeed. GPU acceleration is one promising approach. In this talk, we present a first implementation of all-electron density-functional theory in the FHI-aims code for massively parallel GPU-based platforms. Special attention is paid to the update of the density and to the integration of the Hamiltonian and overlap matrices, realized in a domain decomposition scheme on non-uniform grids. The initial implementation scales well across nodes on ORNL's Titan Cray XK7 supercomputer (8 to 64 nodes, 16 MPI ranks/node) and shows an overall speed up in runtime due to utilization of the K20X Tesla GPUs on each Titan node of 1.4x, with the charge density update showing a speed up of 2x. Further acceleration opportunities will be discussed. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE and by the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

  13. Contextualized Network Analysis: Theory and Methods for Networks with Node Covariates

    Science.gov (United States)

    Binkiewicz, Norbert M.

    Biological and social systems consist of myriad interacting units. The interactions can be intuitively represented in the form of a graph or network. Measurements of these graphs can reveal the underlying structure of these interactions, which provides insight into the systems that generated the graphs. Moreover, in applications such as neuroconnectomics, social networks, and genomics, graph data is accompanied by contextualizing measures on each node. We leverage these node covariates to help uncover latent communities, using a modification of spectral clustering. Statistical guarantees are provided under a joint mixture model called the node contextualized stochastic blockmodel, including a bound on the mis-clustering rate. For most simulated conditions, covariate assisted spectral clustering yields superior results relative to both regularized spectral clustering without node covariates and an adaptation of canonical correlation analysis. We apply covariate assisted spectral clustering to large brain graphs derived from diffusion MRI, using the node locations or neurological regions as covariates. In both cases, covariate assisted spectral clustering yields clusters that are easier to interpret neurologically. A low rank update algorithm is developed to reduce the computational cost of determining the tuning parameter for covariate assisted spectral clustering. As simulations demonstrate, the low rank update algorithm increases the speed of covariate assisted spectral clustering up to ten-fold, while practically matching the clustering performance of the standard algorithm. Graphs with node attributes are sometimes accompanied by ground truth labels that align closely with the latent communities in the graph. We consider the example of a mouse retina neuron network accompanied by the neuron spatial location and neuronal cell types. In this example, the neuronal cell type is considered a ground truth label. Current approaches for defining neuronal cell type vary

  14. Taking data seriously: the value of actor-network theory in rethinking patient experience data.

    Science.gov (United States)

    Desai, Amit; Zoccatelli, Giulia; Adams, Mary; Allen, Davina; Brearley, Sally; Rafferty, Anne Marie; Robert, Glenn; Donetto, Sara

    2017-04-01

    Hospitals are awash with patient experience data, much of it collected with the ostensible purpose of improving the quality of patient care. However, there has been comparatively little consideration of the nature and capacities of data itself. Using insights from actor-network theory, we propose that paying attention to patient experience data as having agency in particular hospital interactions allows us to better trace how and in what circumstances data lead (or fail to lead) to quality improvement.

  15. Partial orders for zero-sum arrays with applications to network theory

    OpenAIRE

    Liu, Yunjun; Rousseau, Ronald; Egghe, Leo

    2017-01-01

    In this contribution we study partial orders in the set of zero-sum arrays. Concretely, these partial orders relate to local and global hierarchy and dominance theories. The exact relation between hierarchy and dominance curves is explained. Based on this investigation we design a new approach for measuring dominance or stated otherwise, power structures, in networks. A new type of Lorenz curve to measure dominance or power is proposed, and used to illustrate intrinsic characteristics of netw...

  16. Driving the brain towards creativity and intelligence: A network control theory analysis.

    Science.gov (United States)

    Kenett, Yoed N; Medaglia, John D; Beaty, Roger E; Chen, Qunlin; Betzel, Richard F; Thompson-Schill, Sharon L; Qiu, Jiang

    2018-01-04

    High-level cognitive constructs, such as creativity and intelligence, entail complex and multiple processes, including cognitive control processes. Recent neurocognitive research on these constructs highlight the importance of dynamic interaction across neural network systems and the role of cognitive control processes in guiding such a dynamic interaction. How can we quantitatively examine the extent and ways in which cognitive control contributes to creativity and intelligence? To address this question, we apply a computational network control theory (NCT) approach to structural brain imaging data acquired via diffusion tensor imaging in a large sample of participants, to examine how NCT relates to individual differences in distinct measures of creative ability and intelligence. Recent application of this theory at the neural level is built on a model of brain dynamics, which mathematically models patterns of inter-region activity propagated along the structure of an underlying network. The strength of this approach is its ability to characterize the potential role of each brain region in regulating whole-brain network function based on its anatomical fingerprint and a simplified model of node dynamics. We find that intelligence is related to the ability to "drive" the brain system into easy to reach neural states by the right inferior parietal lobe and lower integration abilities in the left retrosplenial cortex. We also find that creativity is related to the ability to "drive" the brain system into difficult to reach states by the right dorsolateral prefrontal cortex (inferior frontal junction) and higher integration abilities in sensorimotor areas. Furthermore, we found that different facets of creativity-fluency, flexibility, and originality-relate to generally similar but not identical network controllability processes. We relate our findings to general theories on intelligence and creativity. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. Holomorphic Hartree-Fock Theory: The Nature of Two-Electron Problems.

    Science.gov (United States)

    Burton, Hugh G A; Gross, Mark; Thom, Alex J W

    2018-01-29

    We explore the existence and behavior of holomorphic restricted Hartree-Fock (h-RHF) solutions for two-electron problems. Through algebraic geometry, the exact number of solutions with n basis functions is rigorously identified as 1/2(3n - 1), proving that states must exist for all molecular geometries. A detailed study on the h-RHF states of HZ (STO-3G) then demonstrates both the conservation of holomorphic solutions as geometry or atomic charges are varied and the emergence of complex h-RHF solutions at coalescence points. Using catastrophe theory, the nature of these coalescence points is described, highlighting the influence of molecular symmetry. The h-RHF states of HHeH2+ and HHeH (STO-3G) are then compared, illustrating the isomorphism between systems with two electrons and two electron holes. Finally, we explore the h-RHF states of ethene (STO-3G) by considering the π electrons as a two-electron problem and employ NOCI to identify a crossing of the lowest energy singlet and triplet states at the perpendicular geometry.

  18. Random matrix theory for analyzing the brain functional network in attention deficit hyperactivity disorder

    Science.gov (United States)

    Wang, Rong; Wang, Li; Yang, Yong; Li, Jiajia; Wu, Ying; Lin, Pan

    2016-11-01

    Attention deficit hyperactivity disorder (ADHD) is the most common childhood neuropsychiatric disorder and affects approximately 6 -7 % of children worldwide. Here, we investigate the statistical properties of undirected and directed brain functional networks in ADHD patients based on random matrix theory (RMT), in which the undirected functional connectivity is constructed based on correlation coefficient and the directed functional connectivity is measured based on cross-correlation coefficient and mutual information. We first analyze the functional connectivity and the eigenvalues of the brain functional network. We find that ADHD patients have increased undirected functional connectivity, reflecting a higher degree of linear dependence between regions, and increased directed functional connectivity, indicating stronger causality and more transmission of information among brain regions. More importantly, we explore the randomness of the undirected and directed functional networks using RMT. We find that for ADHD patients, the undirected functional network is more orderly than that for normal subjects, which indicates an abnormal increase in undirected functional connectivity. In addition, we find that the directed functional networks are more random, which reveals greater disorder in causality and more chaotic information flow among brain regions in ADHD patients. Our results not only further confirm the efficacy of RMT in characterizing the intrinsic properties of brain functional networks but also provide insights into the possibilities RMT offers for improving clinical diagnoses and treatment evaluations for ADHD patients.

  19. A Game Theory Based Congestion Control Protocol for Wireless Personal Area Networks

    Directory of Open Access Journals (Sweden)

    Chuang Ma

    2016-01-01

    Full Text Available In wireless sensor networks (WSNs, the presence of congestion increases the ratio of packet loss and energy consumption and reduces the network throughput. Particularly, this situation will be more complex in Internet of Things (IoT environment, which is composed of thousands of heterogeneous nodes. RPL is an IPv6 routing protocol in low power and lossy networks standardized by IETF. However, the RPL can induce problems under network congestion, such as frequently parent changing and throughput degradation. In this paper, we address the congestion problem between parent nodes and child nodes in RPL-enabled networks, which typically consist of low power and resource constraint devices. To mitigate the effect of network congestion, we design a parent-change procedure by game theory strategy, by which the child nodes can change next hop neighbors toward the sink. Comparing to the ContikiRPL implementation, the simulation results show that our protocol can achieve more than two times improvement in throughput and reduce packet loss rate with less increasing of average hop count.

  20. Analysing human mobility patterns of hiking activities through complex network theory.

    Science.gov (United States)

    Lera, Isaac; Pérez, Toni; Guerrero, Carlos; Eguíluz, Víctor M; Juiz, Carlos

    2017-01-01

    The exploitation of high volume of geolocalized data from social sport tracking applications of outdoor activities can be useful for natural resource planning and to understand the human mobility patterns during leisure activities. This geolocalized data represents the selection of hike activities according to subjective and objective factors such as personal goals, personal abilities, trail conditions or weather conditions. In our approach, human mobility patterns are analysed from trajectories which are generated by hikers. We propose the generation of the trail network identifying special points in the overlap of trajectories. Trail crossings and trailheads define our network and shape topological features. We analyse the trail network of Balearic Islands, as a case of study, using complex weighted network theory. The analysis is divided into the four seasons of the year to observe the impact of weather conditions on the network topology. The number of visited places does not decrease despite the large difference in the number of samples of the two seasons with larger and lower activity. It is in summer season where it is produced the most significant variation in the frequency and localization of activities from inland regions to coastal areas. Finally, we compare our model with other related studies where the network possesses a different purpose. One finding of our approach is the detection of regions with relevant importance where landscape interventions can be applied in function of the communities.

  1. Asymmetric recombination and electron spin relaxation in the semiclassical theory of radical pair reactions

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Alan M.; Manolopoulos, David E.; Hore, P. J. [Department of Chemistry, University of Oxford, Physical and Theoretical Chemistry Laboratory, South Parks Road, Oxford OX1 3QZ (United Kingdom)

    2014-07-28

    We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and triplet recombination rates. This is a non-trivial generalisation because when the recombination rates are different the recombination process is dynamically coupled to the coherent electron spin dynamics of the radical pair. Furthermore, because the recombination operator is a two-electron operator, it is no longer sufficient simply to consider the two electrons as classical vectors: one has to consider the complete set of 16 two-electron spin operators as independent classical variables. The resulting semiclassical theory is first validated by comparison with exact quantum mechanical results for a model radical pair containing 12 nuclear spins. It is then used to shed light on the spin dynamics of a carotenoid-porphyrin-fullerene triad containing considerably more nuclear spins which has recently been used to establish a “proof of principle” for the operation of a chemical compass [K. Maeda, K. B. Henbest, F. Cintolesi, I. Kuprov, C. T. Rodgers, P. A. Liddell, D. Gust, C. R. Timmel, and P. J. Hore, Nature (London) 453, 387 (2008)]. We find in particular that the intriguing biphasic behaviour that has been observed in the effect of an Earth-strength magnetic field on the time-dependent survival probability of the photo-excited C{sup ·+}PF{sup ·−} radical pair arises from a delicate balance between its asymmetric recombination and the relaxation of the electron spin in the carotenoid radical.

  2. High time resolution reconstruction of electron temperature profiles with a neural network in C-2U

    Science.gov (United States)

    Player, Gabriel; Magee, Richard; Trask, Erik; Korepanov, Sergey; Clary, Ryan; Tri Alpha Energy Team

    2017-10-01

    One of the most important parameters governing fast ion dynamics in a plasma is the electron temperature, as the fast ion-electron collision rate goes as νei Te3 / 2 . Unfortunately, the electron temperature is difficult to directly measure-methods relying on high-powered laser pulses or fragile probes lead to limited time resolution or measurements restricted to the edge. In order to rectify the lack of time resolution on the Thomson scattering data in the core, a type of learning algorithm, specifically a neural network, was implemented. This network uses 3 hidden layers to correlate information from nearly 250 signals, including magnetics, interferometers, and several arrays of bolometers, with Thomson scattering data over the entire C-2U database, totalling nearly 20,000 samples. The network uses the Levenberg-Marquardt algorithm with Bayesian regularization to learn from the large number of samples and inputs how to accurately reconstruct the entire electron temperature time history at a resolution of 500 kHz, a huge improvement over the 2 time points per shot provided by Thomson scattering. These results can be used in many different types of analysis and plasma characterization-in this work, we use the network to quantify electron heating.

  3. Altered Brain Network in Amyotrophic Lateral Sclerosis: A Resting Graph Theory-Based Network Study at Voxel-Wise Level.

    Science.gov (United States)

    Zhou, Chaoyang; Hu, Xiaofei; Hu, Jun; Liang, Minglong; Yin, Xuntao; Chen, Lin; Zhang, Jiuquan; Wang, Jian

    2016-01-01

    Amyotrophic lateral sclerosis (ALS) is a rare degenerative disorder characterized by loss of upper and lower motor neurons. Neuroimaging has provided noticeable evidence that ALS is a complex disease, and shown that anatomical and functional lesions extend beyond precentral cortices and corticospinal tracts, to include the corpus callosum; frontal, sensory, and premotor cortices; thalamus; and midbrain. The aim of this study is to investigate graph theory-based functional network abnormalities at voxel-wise level in ALS patients on a whole brain scale. Forty-three ALS patients and 44 age- and sex-matched healthy volunteers were enrolled. The voxel-wise network degree centrality (DC), a commonly employed graph-based measure of network organization, was used to characterize the alteration of whole brain functional network. Compared with the controls, the ALS patients showed significant increase of DC in the left cerebellum posterior lobes, bilateral cerebellum crus, bilateral occipital poles, right orbital frontal lobe, and bilateral prefrontal lobes; significant decrease of DC in the bilateral primary motor cortex, bilateral sensory motor region, right prefrontal lobe, left bilateral precuneus, bilateral lateral temporal lobes, left cingulate cortex, and bilateral visual processing cortex. The DC's z-scores of right inferior occipital gyrus were significant negative correlated with the ALSFRS-r scores. Our findings confirm that the regions with abnormal network DC in ALS patients were located in multiple brain regions including primary motor, somatosensory and extra-motor areas, supporting the concept that ALS is a multisystem disorder. Specifically, our study found that DC in the visual areas was altered and ALS patients with higher DC in right inferior occipital gyrus have more severity of disease. The result demonstrated that the altered DC value in this region can probably be used to assess severity of ALS.

  4. A theory of local and global processes which affect solar wind electrons. 1: The origin of typical 1 AU velocity distribution functions: Steady state theory

    Science.gov (United States)

    Scudder, J. D.

    1978-01-01

    A detailed first principle kinetic theory for electrons which is neither a classical fluid treatment nor an exospheric calculation is presented. This theory illustrates the global and local properties of the solar wind expansion that shape the observed features of the electron distribution function, such as its bifurcation, its skewness and the differential temperatures of the thermal and suprathermal subpopulations. Coulomb collisions are substantial mediators of the interplanetary electron velocity distribution function and they place a zone for a bifurcation of the electron distribution function deep in the corona. The local cause and effect precept which permeates the physics of denser media is modified for electrons in the solar wind. The local form of transport laws and equations of state which apply to collision dominated plasmas are replaced with global relations that explicitly depend on the relative position of the observer to the boundaries of the system.

  5. Theory of electromagnetic transmission structures. I - Relativistic foundation and network formalisms

    Science.gov (United States)

    Gabriel, G. J.

    1980-01-01

    A new theorem on a class of four-dimensional skew-symmetric tensors is demonstrated. Coupled with the relativistic covariant form of Maxwell's equations, this theorem consolidates the classifications of guided waves by combining the three types - TE, TM, TEM - under a uniform condition applied to the generating four-potential which is Lorentz invariant. Each type corresponds to a potential of which a pair of the four components vanishes in a particular frame. Through appropriate normalization conditions, the resulting time-domain equations for the field amplitudes are readily reduced to modified telegraphist equations, which in turn lead to distributed network representations for each of the three types. The ambiguity of distributed network formalisms in general is elucidated and the concept of network parameter densities such as traditionally employed in TEM transmission line theory is questioned.

  6. Understanding and Using the Controller Area Network Communication Protocol Theory and Practice

    CERN Document Server

    Di Natale, Marco; Giusto, Paolo; Ghosal, Arkadeb

    2012-01-01

    This is the first book to offer a hands-on guide to designing, analyzing and debugging a communication infrastructure based on the Controller Area Network (CAN) bus.  Although the CAN bus standard is well established and currently used in most automotive systems, as well as avionics, medical systems and other devices, its features are not fully understood by most developers, who tend to misuse the network. This results in lost opportunities for better efficiency and performance.   This book offers a comprehensive range of architectural solutions and domains of analysis. It also provides formal models and analytical results, with thorough discussion of their applicability, so that it serves as an invaluable reference for researchers and students, as well as practicing engineers.    Offers the first comprehensive guide to bridging the gap between theory and implementation of the widely accepted Controller Area Network (CAN) bus; Provides examples and best practices for design of communication systems, as w...

  7. A Network Neuroscience of Human Learning: Potential to Inform Quantitative Theories of Brain and Behavior.

    Science.gov (United States)

    Bassett, Danielle S; Mattar, Marcelo G

    2017-04-01

    Humans adapt their behavior to their external environment in a process often facilitated by learning. Efforts to describe learning empirically can be complemented by quantitative theories that map changes in neurophysiology to changes in behavior. In this review we highlight recent advances in network science that offer a sets of tools and a general perspective that may be particularly useful in understanding types of learning that are supported by distributed neural circuits. We describe recent applications of these tools to neuroimaging data that provide unique insights into adaptive neural processes, the attainment of knowledge, and the acquisition of new skills, forming a network neuroscience of human learning. While promising, the tools have yet to be linked to the well-formulated models of behavior that are commonly utilized in cognitive psychology. We argue that continued progress will require the explicit marriage of network approaches to neuroimaging data and quantitative models of behavior. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory.

    Directory of Open Access Journals (Sweden)

    Wolfram A Bosbach

    Full Text Available The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems.In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties.The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method.The obtained material stiffness isn't a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials.

  9. Understanding cancer complexome using networks, spectral graph theory and multilayer framework

    Science.gov (United States)

    Rai, Aparna; Pradhan, Priodyuti; Nagraj, Jyothi; Lohitesh, K.; Chowdhury, Rajdeep; Jalan, Sarika

    2017-02-01

    Cancer complexome comprises a heterogeneous and multifactorial milieu that varies in cytology, physiology, signaling mechanisms and response to therapy. The combined framework of network theory and spectral graph theory along with the multilayer analysis provides a comprehensive approach to analyze the proteomic data of seven different cancers, namely, breast, oral, ovarian, cervical, lung, colon and prostate. Our analysis demonstrates that the protein-protein interaction networks of the normal and the cancerous tissues associated with the seven cancers have overall similar structural and spectral properties. However, few of these properties implicate unsystematic changes from the normal to the disease networks depicting difference in the interactions and highlighting changes in the complexity of different cancers. Importantly, analysis of common proteins of all the cancer networks reveals few proteins namely the sensors, which not only occupy significant position in all the layers but also have direct involvement in causing cancer. The prediction and analysis of miRNAs targeting these sensor proteins hint towards the possible role of these proteins in tumorigenesis. This novel approach helps in understanding cancer at the fundamental level and provides a clue to develop promising and nascent concept of single drug therapy for multiple diseases as well as personalized medicine.

  10. Analytical theory of polymer-network-mediated interaction between colloidal particles.

    Science.gov (United States)

    Di Michele, Lorenzo; Zaccone, Alessio; Eiser, Erika

    2012-06-26

    Nanostructured materials based on colloidal particles embedded in a polymer network are used in a variety of applications ranging from nanocomposite rubbers to organic-inorganic hybrid solar cells. Further, polymer-network-mediated colloidal interactions are highly relevant to biological studies whereby polymer hydrogels are commonly employed to probe the mechanical response of living cells, which can determine their biological function in physiological environments. The performance of nanomaterials crucially relies upon the spatial organization of the colloidal particles within the polymer network that depends, in turn, on the effective interactions between the particles in the medium. Existing models based on nonlocal equilibrium thermodynamics fail to clarify the nature of these interactions, precluding the way toward the rational design of polymer-composite materials. In this article, we present a predictive analytical theory of these interactions based on a coarse-grained model for polymer networks. We apply the theory to the case of colloids partially embedded in cross-linked polymer substrates and clarify the origin of attractive interactions recently observed experimentally. Monte Carlo simulation results that quantitatively confirm the theoretical predictions are also presented.

  11. The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory.

    Science.gov (United States)

    Bosbach, Wolfram A

    2015-01-01

    The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. The obtained material stiffness isn't a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials.

  12. Understanding cancer complexome using networks, spectral graph theory and multilayer framework.

    Science.gov (United States)

    Rai, Aparna; Pradhan, Priodyuti; Nagraj, Jyothi; Lohitesh, K; Chowdhury, Rajdeep; Jalan, Sarika

    2017-02-03

    Cancer complexome comprises a heterogeneous and multifactorial milieu that varies in cytology, physiology, signaling mechanisms and response to therapy. The combined framework of network theory and spectral graph theory along with the multilayer analysis provides a comprehensive approach to analyze the proteomic data of seven different cancers, namely, breast, oral, ovarian, cervical, lung, colon and prostate. Our analysis demonstrates that the protein-protein interaction networks of the normal and the cancerous tissues associated with the seven cancers have overall similar structural and spectral properties. However, few of these properties implicate unsystematic changes from the normal to the disease networks depicting difference in the interactions and highlighting changes in the complexity of different cancers. Importantly, analysis of common proteins of all the cancer networks reveals few proteins namely the sensors, which not only occupy significant position in all the layers but also have direct involvement in causing cancer. The prediction and analysis of miRNAs targeting these sensor proteins hint towards the possible role of these proteins in tumorigenesis. This novel approach helps in understanding cancer at the fundamental level and provides a clue to develop promising and nascent concept of single drug therapy for multiple diseases as well as personalized medicine.

  13. The eMERGE Network: a consortium of biorepositories linked to electronic medical records data for conducting genomic studies

    National Research Council Canada - National Science Library

    McCarty, Catherine A; Chisholm, Rex L; Chute, Christopher G; Kullo, Iftikhar J; Jarvik, Gail P; Larson, Eric B; Li, Rongling; Masys, Daniel R; Ritchie, Marylyn D; Roden, Dan M; Struewing, Jeffery P; Wolf, Wendy A

    2011-01-01

    The eMERGE (electronic MEdical Records and GEnomics) Network is an NHGRI-supported consortium of five institutions to explore the utility of DNA repositories coupled to Electronic Medical Record (EMR...

  14. Local food in European supply chains: reconnection and electronic networks

    Directory of Open Access Journals (Sweden)

    Georgina Holt

    2007-04-01

    Full Text Available Après une présentation du marché des produits locaux/localisés en Grande Bretagne, ainsi qu’une définition du concept en fonction des circuits de distribution courts, de l’agriculture biologique et du commerce équitable, cet article se fonde sur des études de cas, issus de projets de recherche européens, pour identifier des différents types de réseaux concernés par les concept de produit locaux durables. Les habitudes historiques concernant l’achat des produits alimentaires jouent ici un rôle central et l’article observe l’équilibre entre les composants historiques, sociaux et environnementaux des produits locaux/localisés. A partir de ces terrains de recherche et de ces expériences il s’est avéré possible de déterminer différentes compréhensions de « produits locaux » en relation avec le concept de « distance alimentaire/ food miles ». En se référant à six cas donnés, cet article souligne l’importance des systèmes localisés en matière de durabilité alimentaire, et met en valeur le poids des qualités humaines et sociales dans la balance commerciale.After giving an overview of the market for local food in the UK, as well as a definition of the concept in relation to short supply chains, organic agriculture and fair trade, the article draws on cases encountered through EC-funded research and networking to identify different types of network concerned with the concept of sustaining local food. Historical uses of shopping habits play here a central role and the article observes the balance between historical, social and environmental components of local food. From these researches and experiences, it has been possible to demonstrate a range of understandings in relation to the concept of ‘food miles’. With reference to six cases, the article underlines the importance of local food systems within food sustainability, and highlights the weight of human and social qualities in the market balance.

  15. Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport.

    Science.gov (United States)

    Kershaw, Vincent F; Kosov, Daniel S

    2017-12-14

    We develop nonequilibrium Green's function-based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular junctions. Our approach is based on the separation of slow and fast time scales in the equations of motion for Green's functions by means of the Wigner representation. Time derivatives with respect to central time serve as a small parameter in the perturbative expansion enabling the computation of nonadiabatic corrections to molecular Green's functions. Consequently, we produce a series of analytic expressions for non-adiabatic electronic Green's functions (up to the second order in the central time derivatives), which depend not solely on the instantaneous molecular geometry but likewise on nuclear velocities and accelerations. An extended formula for electric current is derived which accounts for the non-adiabatic corrections. This theory is concisely illustrated by the calculations on a model molecular junction.

  16. Visibility graph analysis on quarterly macroeconomic series of China based on complex network theory

    Science.gov (United States)

    Wang, Na; Li, Dong; Wang, Qiwen

    2012-12-01

    The visibility graph approach and complex network theory provide a new insight into time series analysis. The inheritance of the visibility graph from the original time series was further explored in the paper. We found that degree distributions of visibility graphs extracted from Pseudo Brownian Motion series obtained by the Frequency Domain algorithm exhibit exponential behaviors, in which the exponential exponent is a binomial function of the Hurst index inherited in the time series. Our simulations presented that the quantitative relations between the Hurst indexes and the exponents of degree distribution function are different for different series and the visibility graph inherits some important features of the original time series. Further, we convert some quarterly macroeconomic series including the growth rates of value-added of three industry series and the growth rates of Gross Domestic Product series of China to graphs by the visibility algorithm and explore the topological properties of graphs associated from the four macroeconomic series, namely, the degree distribution and correlations, the clustering coefficient, the average path length, and community structure. Based on complex network analysis we find degree distributions of associated networks from the growth rates of value-added of three industry series are almost exponential and the degree distributions of associated networks from the growth rates of GDP series are scale free. We also discussed the assortativity and disassortativity of the four associated networks as they are related to the evolutionary process of the original macroeconomic series. All the constructed networks have “small-world” features. The community structures of associated networks suggest dynamic changes of the original macroeconomic series. We also detected the relationship among government policy changes, community structures of associated networks and macroeconomic dynamics. We find great influences of government

  17. Functional neural network analysis in frontotemporal dementia and Alzheimer's disease using EEG and graph theory

    Directory of Open Access Journals (Sweden)

    van der Flier Wiesje M

    2009-08-01

    Full Text Available Abstract Background Although a large body of knowledge about both brain structure and function has been gathered over the last decades, we still have a poor understanding of their exact relationship. Graph theory provides a method to study the relation between network structure and function, and its application to neuroscientific data is an emerging research field. We investigated topological changes in large-scale functional brain networks in patients with Alzheimer's disease (AD and frontotemporal lobar degeneration (FTLD by means of graph theoretical analysis of resting-state EEG recordings. EEGs of 20 patients with mild to moderate AD, 15 FTLD patients, and 23 non-demented individuals were recorded in an eyes-closed resting-state. The synchronization likelihood (SL, a measure of functional connectivity, was calculated for each sensor pair in 0.5–4 Hz, 4–8 Hz, 8–10 Hz, 10–13 Hz, 13–30 Hz and 30–45 Hz frequency bands. The resulting connectivity matrices were converted to unweighted graphs, whose structure was characterized with several measures: mean clustering coefficient (local connectivity, characteristic path length (global connectivity and degree correlation (network 'assortativity'. All results were normalized for network size and compared with random control networks. Results In AD, the clustering coefficient decreased in the lower alpha and beta bands (p Conclusion With decreasing local and global connectivity parameters, the large-scale functional brain network organization in AD deviates from the optimal 'small-world' network structure towards a more 'random' type. This is associated with less efficient information exchange between brain areas, supporting the disconnection hypothesis of AD. Surprisingly, FTLD patients show changes in the opposite direction, towards a (perhaps excessively more 'ordered' network structure, possibly reflecting a different underlying pathophysiological process.

  18. Impact of stand-by energy losses in electronic devices on smart network performance

    Directory of Open Access Journals (Sweden)

    Mandić-Lukić Jasmina S.

    2012-01-01

    Full Text Available Limited energy resources and environmental concerns due to ever increasing energy consumption, more and more emphasis is being put on energy savings. Smart networks are promoted worldwide as a powerful tool used to improve the energy efficiency through consumption management, as well as to enable the distributed power generation, primarily based on renewable energy sources, to be optimally explored. To make it possible for the smart networks to function, a large number of electronic devices is needed to operate or to be in their stand-by mode. The consumption of these devices is added to the consumption of many other electronic devices already in use in households and offices, thus giving rise to the overall power consumption and threatening to counteract the primary function of smart networks. This paper addresses the consumption of particular electronic devices, with an emphasis placed on their thermal losses when in stand-by mode and their total share in the overall power consumption in certain countries. The thermal losses of electronic devices in their stand-by mode are usually neglected, but it seems theoretically possible that a massive increase in their number can impact net performance of the future smart networks considerably so that above an optimum level of energy savings achieved by their penetration, total consumption begins to increase. Based on the current stand-by energy losses from the existing electronic devices, we propose that the future penetration of smart networks be optimized taking also into account losses from their own electronic devices, required to operate in stand-by mode.

  19. A Review of X-ray Free-Electron Laser Theory

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Zhirong; /SLAC; Kim, Kwang-Je; /ANL, APS

    2006-12-18

    High-gain free-electron lasers (FELs) are being developed as extremely bright sources for a next-generation x-ray facility. In this paper, we review the basic theory of the startup, the exponential growth, and the saturation of the high-gain process, emphasizing the self-amplified spontaneous emission (SASE). The radiation characteristics of an x-ray FEL, including its transverse coherence, temporal characteristics, and harmonic content, are discussed. FEL performance in the presence of machine errors and undulator wakefields is examined. Various enhancement schemes through seeding and beam manipulations are summarized.

  20. Analysis of vibrational, structural, and electronic properties of rivastigmine by density functional theory

    Science.gov (United States)

    Prasad, O.; Sinha, L.; Misra, N.; Narayan, V.; Kumar, N.; Kumar, A.

    2010-09-01

    The present work deals with the structural, electronic, and vibrational analysis of rivastigmine. Rivastigmine, an antidementia medicament, is credited with significant therapeutic effects on the cognitive, functional, and behavioural problems that are commonly associated with Alzheimer’s dementia. For rivastigmine, a number of minimum energy conformations are possible. The geometry of twelve possible conformers has been analyzed and the most stable conformer was further optimized at a higher basis set. The electronic properties and vibrational frequencies were then calculated using a density functional theory at the B3LYP level with the 6-311+G(d, p) basis set. The different molecular surfaces have also been drawn to understand the activity of the molecule. A narrower frontier orbital energy gap in rivastigmine makes it softer and more reactive than water and dimethylfuran. The calculated value of the dipole moment is 2.58 debye.

  1. Electron spectroscopies and inelastic processes in nanoclusters and solids: Theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Taioli, Simone, E-mail: taioli@fbk.e [Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Trento (Italy); Department of Physics, University of Trento, Via Sommarive 14, I-38100, Trento (Italy); Simonucci, Stefano [Department of Physics, University of Camerino, via Madonna delle Carceri 9, 62032 Camerino (Italy); Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Trento (Italy); Calliari, Lucia [Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Trento (Italy); Dapor, Maurizio [Interdisciplinary Laboratory for Computational Science (LISC), FBK-CMM and University of Trento, via Sommarive 18, I-38123 Trento (Italy); Department of Materials Engineering and Industrial Technologies, University of Trento, via Mesiano 77, I-38123 Trento (Italy)

    2010-08-15

    The recent, very significant developments in high intensity and brightness electron and photon sources have opened new possibilities of applying electron spectroscopies, such as photoemission, Auger and electron energy loss, to the study of many interesting features in the dynamics of atoms, molecules and condensed-matter systems. In the last few years it has become possible to obtain electron spectra with an overall energy resolution (electron/photon source and electron spectrometer) considerably smaller than the linewidth of the investigated level and to study quantitatively the combined effects of the intrinsic dynamical properties of the system, of features of the incident beam and of the electron spectrometer on the spectral lineshape. For all these reasons, it is important to have theoretical methods that are able to analyze the dynamics of systems at any level of aggregation under the influence of an incident radiation and, simultaneously, to predict spectral lineshapes quantitatively by correlating their features with internal dynamics of the perturbed system. In this report, we present experiments and a critical overview of theoretical methods for interpreting electron spectra of atoms, molecules and solid-state systems. The general theoretical framework for this analysis is resonant multichannel scattering theory. Electron spectroscopies are, in fact, based on scattering processes in which the initial state consists of a projectile, typically photons or electrons, exciting a target to a resonant state, which has long lifetimes if compared to the collision time. This metastable state is embedded in the continuum of final states characterized by the presence of a few fragments, whose observation provides useful information on the properties of the system under study. Even if the general theory of scattering and decay phenomena has been largely developed, its specific application to electron spectroscopies in condensed matter and, in several cases also to

  2. Correlated electron dynamics and memory in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Thiele, Mark

    2009-07-28

    Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

  3. Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

    Science.gov (United States)

    Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

    2015-03-01

    We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

  4. Actor-Network Theory and its role in understanding the implementation of information technology developments in healthcare

    National Research Council Canada - National Science Library

    Cresswell, Kathrin M; Worth, Allison; Sheikh, Aziz

    2010-01-01

    .... We argue that health services research, and in particular evaluations of complex IT systems in health service organisations, may benefit from being informed by Actor-Network Theory perspectives...

  5. Speculations on the Impact of Global Electronic Networks on Human Cognition and Human Organization.

    Science.gov (United States)

    Nilan, Michael S.

    1993-01-01

    Examines the relationship between a society's communication technology and Marshall McLuhan's concerns for human cognition, and between the technology and the ways that humans organize their societies. It is suggested that appropriate development of global electronic networks could have a positive effect on individual and organizational abilities…

  6. Employees’ participation in electronic networks of practice within a corporate group: perceived benefits and costs

    NARCIS (Netherlands)

    Sedighi, M.; Lukosch, S.; van Splunter, S.; Brazier, F.M.T.; Hamedi, M.; van Beers, C.

    This paper explores benefits and costs of knowledge exchange perceived by individuals in connected electronic networks of practice (ENoP) in a corporate setting. The results of 25 semi-structured interviews show 9 perceived benefits and 5 perceived costs to be of importance for knowledge exchange.

  7. Employees’ participation in electronic networks of practice within a corporate group: perceived benefits and costs

    NARCIS (Netherlands)

    Sedighi, M.; Lukosch, S.G.; van Splunter, S.; Brazier, F.M.; Hamedi, Mohsen; van Beers, C.P.

    2017-01-01

    This paper explores benefits and costs of knowledge exchange perceived by individuals in connected electronic networks of practice (ENoP) in a corporate setting. The results of 25 semi-structured interviews show 9 perceived benefits and 5 perceived costs to be of importance for knowledge exchange.

  8. Marketing of Academic Library Services through Social Networking Sites: Implications of Electronic Word-of-Mouth

    Science.gov (United States)

    Siddike, Md. Abul Kalam; Kiran, K.

    2015-01-01

    The main objective of this study is to investigate the perceptions of academic librarians towards the marketing of library services through social networking sites (SNSs) and their understanding of using electronic word-of-mouth (eWOM) as a marketing tool in academic libraries. This study follows a qualitative data-gathering approach of structured…

  9. Electron transfer between a quinohemoprotein alcohol dehydrogenase and an electrode via a redox polymer network

    NARCIS (Netherlands)

    Stigter, E.C.A.; Jong, G.A.H. de; Jongejan, J.A.; Duine, J.A.; Lugt, J.P. van der; Somers, W.A.C.

    1996-01-01

    A quinohemoprotein alcohol dehydrogenase (QH-EDH) from Comamonas testosteroni was immobilized on an electrode in a redox polymer network consisting of a polyvinylpyridine partially N-complexed with osmiumbis-(bipyridine)chloride. The enzyme effectively transfers electrons to the electrode via the

  10. Network Theory Integrated Life Cycle Assessment for an Electric Power System

    Directory of Open Access Journals (Sweden)

    Heetae Kim

    2015-08-01

    Full Text Available In this study, we allocate Greenhouse gas (GHG emissions of electricity transmission to the consumers. As an allocation basis, we introduce energy distance. Energy distance takes the transmission load on the electricity energy system into account in addition to the amount of electricity consumption. As a case study, we estimate regional GHG emissions of electricity transmission loss in Chile. Life cycle assessment (LCA is used to estimate the total GHG emissions of the Chilean electric power system. The regional GHG emission of transmission loss is calculated from the total GHG emissions. We construct the network model of Chilean electric power grid as an undirected network with 466 nodes and 543 edges holding the topology of the power grid based on the statistical record. We analyze the total annual GHG emissions of the Chilean electricity energy system as 23.07 Mt CO2-eq. and 1.61 Mt CO2-eq. for the transmission loss, respectively. The total energy distance for the electricity transmission accounts for 12,842.10 TWh km based on network analysis. We argue that when the GHG emission of electricity transmission loss is estimated, the electricity transmission load should be separately considered. We propose network theory as a useful complement to LCA analysis for the complex allocation. Energy distance is especially useful on a very large-scale electric power grid such as an intercontinental transmission network.

  11. Unpacking complexity in public health interventions with the Actor-Network Theory.

    Science.gov (United States)

    Bilodeau, Angèle; Potvin, Louise

    2016-08-04

    This article proposes a sociologically informed theoretical and methodological framework to address the complexity of public health interventions (PHI). It first proposes three arguments in favour of using the Actor-Network Theory (ANT) for the framework. ANT: (1) deals with systems made of human and non-human entities and proposes a relational view of action; (2) provides an understanding of the intervention-context interactions and (3) is a tool for opening the intervention's black box. Three principles derived from ANT addressing theoretical problems with conceptualisation of PHI as complex systems are proposed: (1) to focus on the process of connecting the network entities instead of their stabilised form; (2) both human and non-human entities composing networks have performative capacities and (3) network and intervention shape one another. Three methodological guidelines are further derived: (1) the researcher's task consists in documenting the events that transform the network and intervention; (2) events must be ordered chronologically to represent the intervention's evolution and (3) a broad range of data is needed to capture complex interventions' evolution. Using ANT as a guide, this paper helps reconcile technicist and social views of PHI and provides a mean to integrate process and effect studies of interventions. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  12. Practice of Connectivism As Learning Theory: Enhancing Learning Process Through Social Networking Site (Facebook

    Directory of Open Access Journals (Sweden)

    Fahriye Altınay Aksal

    2013-12-01

    Full Text Available The impact of the digital age within learning and social interaction has been growing rapidly. The realm of digital age and computer mediated communication requires reconsidering instruction based on collaborative interactive learning process and socio-contextual experience for learning. Social networking sites such as facebook can help create group space for digital dialogue to inform, question and challenge within a frame of connectivism as learning theory within the digital age. The aim of this study is to elaborate the practice of connectivism as learning theory in terms of internship course. Facebook group space provided social learning platform for dialogue and negotiation beside the classroom learning and teaching process in this study. The 35 internship students provided self-reports within a frame of this qualitative research. This showed how principles of theory practiced and how this theory and facebook group space contribute learning, selfleadership, decision making and reflection skills. As the research reflects a practice of new theory based on action research, learning is not individualistic attempt in the digital age as regards the debate on learning in digital age within a frame of connectivism

  13. Learning network theory : its contribution to our understanding of work-based learning projects and learning climate

    OpenAIRE

    Poell, R.F.; Moorsel, M.A.A.H. van

    1996-01-01

    This paper discusses the relevance of Van der Krogt's learning network theory (1995) for our understanding of the concepts of work-related learning projects and learning climate in organisations. The main assumptions of the learning network theory are presented and transferred to the level of learning groups in organisations. Four theoretical types of learning projects are distinguished. Four different approaches to the learning climate of work groups are compared to the approach offered by t...

  14. Comparing brain networks of different size and connectivity density using graph theory.

    Directory of Open Access Journals (Sweden)

    Bernadette C M van Wijk

    Full Text Available Graph theory is a valuable framework to study the organization of functional and anatomical connections in the brain. Its use for comparing network topologies, however, is not without difficulties. Graph measures may be influenced by the number of nodes (N and the average degree (k of the network. The explicit form of that influence depends on the type of network topology, which is usually unknown for experimental data. Direct comparisons of graph measures between empirical networks with different N and/or k can therefore yield spurious results. We list benefits and pitfalls of various approaches that intend to overcome these difficulties. We discuss the initial graph definition of unweighted graphs via fixed thresholds, average degrees or edge densities, and the use of weighted graphs. For instance, choosing a threshold to fix N and k does eliminate size and density effects but may lead to modifications of the network by enforcing (ignoring non-significant (significant connections. Opposed to fixing N and k, graph measures are often normalized via random surrogates but, in fact, this may even increase the sensitivity to differences in N and k for the commonly used clustering coefficient and small-world index. To avoid such a bias we tried to estimate the N,k-dependence for empirical networks, which can serve to correct for size effects, if successful. We also add a number of methods used in social sciences that build on statistics of local network structures including exponential random graph models and motif counting. We show that none of the here-investigated methods allows for a reliable and fully unbiased comparison, but some perform better than others.

  15. Comparing brain networks of different size and connectivity density using graph theory.

    Science.gov (United States)

    van Wijk, Bernadette C M; Stam, Cornelis J; Daffertshofer, Andreas

    2010-10-28

    Graph theory is a valuable framework to study the organization of functional and anatomical connections in the brain. Its use for comparing network topologies, however, is not without difficulties. Graph measures may be influenced by the number of nodes (N) and the average degree (k) of the network. The explicit form of that influence depends on the type of network topology, which is usually unknown for experimental data. Direct comparisons of graph measures between empirical networks with different N and/or k can therefore yield spurious results. We list benefits and pitfalls of various approaches that intend to overcome these difficulties. We discuss the initial graph definition of unweighted graphs via fixed thresholds, average degrees or edge densities, and the use of weighted graphs. For instance, choosing a threshold to fix N and k does eliminate size and density effects but may lead to modifications of the network by enforcing (ignoring) non-significant (significant) connections. Opposed to fixing N and k, graph measures are often normalized via random surrogates but, in fact, this may even increase the sensitivity to differences in N and k for the commonly used clustering coefficient and small-world index. To avoid such a bias we tried to estimate the N,k-dependence for empirical networks, which can serve to correct for size effects, if successful. We also add a number of methods used in social sciences that build on statistics of local network structures including exponential random graph models and motif counting. We show that none of the here-investigated methods allows for a reliable and fully unbiased comparison, but some perform better than others.

  16. Schrödinger Theory of Electrons in Electromagnetic Fields: New Perspectives

    Directory of Open Access Journals (Sweden)

    Viraht Sahni

    2017-03-01

    Full Text Available The Schrödinger theory of electrons in an external electromagnetic field is described from the new perspective of the individual electron. The perspective is arrived at via the time-dependent “Quantal Newtonian” law (or differential virial theorem. (The time-independent law, a special case, provides a similar description of stationary-state theory. These laws are in terms of “classical” fields whose sources are quantal expectations of Hermitian operators taken with respect to the wave function. The laws reveal the following physics: (a in addition to the external field, each electron experiences an internal field whose components are representative of a specific property of the system such as the correlations due to the Pauli exclusion principle and Coulomb repulsion, the electron density, kinetic effects, and an internal magnetic field component. The response of the electron is described by the current density field; (b the scalar potential energy of an electron is the work done in a conservative field. It is thus path-independent. The conservative field is the sum of the internal and Lorentz fields. Hence, the potential is inherently related to the properties of the system, and its constituent property-related components known. As the sources of the fields are functionals of the wave function, so are the respective fields, and, therefore, the scalar potential is a known functional of the wave function; (c as such, the system Hamiltonian is a known functional of the wave function. This reveals the intrinsic self-consistent nature of the Schrödinger equation, thereby providing a path for the determination of the exact wave functions and energies of the system; (d with the Schrödinger equation written in self-consistent form, the Hamiltonian now admits via the Lorentz field a new term that explicitly involves the external magnetic field. The new understandings are explicated for the stationary state case by application to two quantum

  17. On-Ball Doping of Fullerenes : The Electronic Structure of C59N Dimers from Experiment and Theory

    NARCIS (Netherlands)

    Pichler, Thomas; Knupfer, Martin; Golden, Mark S.; Haffner, Stefan; Friedlein, Rainer; Fink, Jörg; Andreoni, Wanda; Curioni, Alessandro; Keshavarz-K, Majid; Bellavia-Lund, Cheryl; Sastre, Angela; Hummelen, Jan-Cornelis; Wudl, Fred

    1997-01-01

    We present the first studies of the electronic structure of the heterofullerene (C59N)2 using electron energy-loss spectroscopy in transmission, photoemission spectroscopy, and density functional theory calculations. Both the C 1s excitation spectra and valence band photoemission show negligible

  18. Large-scale transportation network congestion evolution prediction using deep learning theory.

    Directory of Open Access Journals (Sweden)

    Xiaolei Ma

    Full Text Available Understanding how congestion at one location can cause ripples throughout large-scale transportation network is vital for transportation researchers and practitioners to pinpoint traffic bottlenecks for congestion mitigation. Traditional studies rely on either mathematical equations or simulation techniques to model traffic congestion dynamics. However, most of the approaches have limitations, largely due to unrealistic assumptions and cumbersome parameter calibration process. With the development of Intelligent Transportation Systems (ITS and Internet of Things (IoT, transportation data become more and more ubiquitous. This triggers a series of data-driven research to investigate transportation phenomena. Among them, deep learning theory is considered one of the most promising techniques to tackle tremendous high-dimensional data. This study attempts to extend deep learning theory into large-scale transportation network analysis. A deep Restricted Boltzmann Machine and Recurrent Neural Network architecture is utilized to model and predict traffic congestion evolution based on Global Positioning System (GPS data from taxi. A numerical study in Ningbo, China is conducted to validate the effectiveness and efficiency of the proposed method. Results show that the prediction accuracy can achieve as high as 88% within less than 6 minutes when the model is implemented in a Graphic Processing Unit (GPU-based parallel computing environment. The predicted congestion evolution patterns can be visualized temporally and spatially through a map-based platform to identify the vulnerable links for proactive congestion mitigation.

  19. Large-scale transportation network congestion evolution prediction using deep learning theory.

    Science.gov (United States)

    Ma, Xiaolei; Yu, Haiyang; Wang, Yunpeng; Wang, Yinhai

    2015-01-01

    Understanding how congestion at one location can cause ripples throughout large-scale transportation network is vital for transportation researchers and practitioners to pinpoint traffic bottlenecks for congestion mitigation. Traditional studies rely on either mathematical equations or simulation techniques to model traffic congestion dynamics. However, most of the approaches have limitations, largely due to unrealistic assumptions and cumbersome parameter calibration process. With the development of Intelligent Transportation Systems (ITS) and Internet of Things (IoT), transportation data become more and more ubiquitous. This triggers a series of data-driven research to investigate transportation phenomena. Among them, deep learning theory is considered one of the most promising techniques to tackle tremendous high-dimensional data. This study attempts to extend deep learning theory into large-scale transportation network analysis. A deep Restricted Boltzmann Machine and Recurrent Neural Network architecture is utilized to model and predict traffic congestion evolution based on Global Positioning System (GPS) data from taxi. A numerical study in Ningbo, China is conducted to validate the effectiveness and efficiency of the proposed method. Results show that the prediction accuracy can achieve as high as 88% within less than 6 minutes when the model is implemented in a Graphic Processing Unit (GPU)-based parallel computing environment. The predicted congestion evolution patterns can be visualized temporally and spatially through a map-based platform to identify the vulnerable links for proactive congestion mitigation.

  20. Research progress of multimodal MRI and complex network analysis based on graph theory in Parkinson's disease

    Directory of Open Access Journals (Sweden)

    Ming-jin MEI

    2017-01-01

    Full Text Available Parkinson's disease (PD is a common progressive neurodegenerative disease and is mainly caused by dopamine neuron degeneration in the substantia nigra pars compacta of the human brain. It has become "the third killer" after tumor and cardio-cerebrovascular disease in middle-aged and elderly people at present. In recent years, the development of multimodal MRI [including structural MRI (sMRI, functional MRI (fMRI, diffusion tension imaging (DTI, etc.] and the introduction of complex network analysis based on graph theory provide a new and effective method for researchers to explore the changes of brain structure and function in PD patients. The article mainly reviews the research progress of structural and functional brain networks in PD patients that are established based on multimodal MRI and complex network analysis based on graph theory, so as to provide new imaging markers for the early diagnosis of PD. DOI: 10.3969/j.issn.1672-6731.2017.01.004

  1. Game Theory-Based Cooperation for Underwater Acoustic Sensor Networks: Taxonomy, Review, Research Challenges and Directions.

    Science.gov (United States)

    Muhammed, Dalhatu; Anisi, Mohammad Hossein; Zareei, Mahdi; Vargas-Rosales, Cesar; Khan, Anwar

    2018-02-01

    Exploring and monitoring the underwater world using underwater sensors is drawing a lot of attention these days. In this field cooperation between acoustic sensor nodes has been a critical problem due to the challenging features such as acoustic channel failure (sound signal), long propagation delay of acoustic signal, limited bandwidth and loss of connectivity. There are several proposed methods to improve cooperation between the nodes by incorporating information/game theory in the node's cooperation. However, there is a need to classify the existing works and demonstrate their performance in addressing the cooperation issue. In this paper, we have conducted a review to investigate various factors affecting cooperation in underwater acoustic sensor networks. We study various cooperation techniques used for underwater acoustic sensor networks from different perspectives, with a concentration on communication reliability, energy consumption, and security and present a taxonomy for underwater cooperation. Moreover, we further review how the game theory can be applied to make the nodes cooperate with each other. We further analyze different cooperative game methods, where their performance on different metrics is compared. Finally, open issues and future research direction in underwater acoustic sensor networks are highlighted.

  2. Game Theory-Based Cooperation for Underwater Acoustic Sensor Networks: Taxonomy, Review, Research Challenges and Directions

    Directory of Open Access Journals (Sweden)

    Dalhatu Muhammed

    2018-02-01

    Full Text Available Exploring and monitoring the underwater world using underwater sensors is drawing a lot of attention these days. In this field cooperation between acoustic sensor nodes has been a critical problem due to the challenging features such as acoustic channel failure (sound signal, long propagation delay of acoustic signal, limited bandwidth and loss of connectivity. There are several proposed methods to improve cooperation between the nodes by incorporating information/game theory in the node’s cooperation. However, there is a need to classify the existing works and demonstrate their performance in addressing the cooperation issue. In this paper, we have conducted a review to investigate various factors affecting cooperation in underwater acoustic sensor networks. We study various cooperation techniques used for underwater acoustic sensor networks from different perspectives, with a concentration on communication reliability, energy consumption, and security and present a taxonomy for underwater cooperation. Moreover, we further review how the game theory can be applied to make the nodes cooperate with each other. We further analyze different cooperative game methods, where their performance on different metrics is compared. Finally, open issues and future research direction in underwater acoustic sensor networks are highlighted.

  3. Further evidence of alerted default network connectivity and association with theory of mind ability in schizophrenia.

    Science.gov (United States)

    Mothersill, Omar; Tangney, Noreen; Morris, Derek W; McCarthy, Hazel; Frodl, Thomas; Gill, Michael; Corvin, Aiden; Donohoe, Gary

    2017-06-01

    Resting-state functional magnetic resonance imaging (rs-fMRI) has repeatedly shown evidence of altered functional connectivity of large-scale networks in schizophrenia. The relationship between these connectivity changes and behaviour (e.g. symptoms, neuropsychological performance) remains unclear. Functional connectivity in 27 patients with schizophrenia or schizoaffective disorder, and 25 age and gender matched healthy controls was examined using rs-fMRI. Based on seed regions from previous studies, we examined functional connectivity of the default, cognitive control, affective and attention networks. Effects of symptom severity and theory of mind performance on functional connectivity were also examined. Patients showed increased connectivity between key nodes of the default network including the precuneus and medial prefrontal cortex compared to controls (ptheory of mind performance were both associated with altered connectivity of default regions within the patient group (ptheory of mind performance. Extending these findings by examining the effects of emerging social cognition treatments on both default connectivity and theory of mind performance is now an important goal for research. Copyright © 2016 Elsevier B.V. All rights reserved.

  4. An examination of network position and childhood relational aggression: integrating resource control and social exchange theories.

    Science.gov (United States)

    Neal, Jennifer Watling; Cappella, Elise

    2012-01-01

    Applying resource control theory and social exchange theory, we examined the social network conditions under which elementary age children were likely to engage in relational aggression. Data on classroom peer networks and peer-nominated behaviors were collected on 671 second- through fourth-grade children in 34 urban, low-income classrooms. Nested regression models with robust cluster standard errors demonstrated that the association between children's number of relationships and their levels of relational aggression was moderated by the number of relationships that their affiliates had. Children with more peer relationships (i.e., higher network centrality) exhibited higher levels of relational aggression, but only when these relationships were with peers who had fewer connections themselves (i.e., poorly connected peers). This finding remained significant even when controlling for common predictors of relational aggression including gender, overt aggression, prosocial behavior, victimization, social preference, and perceived popularity. Results are discussed in terms of their implications for advancing the literature on childhood relational aggression and their practical applications for identifying children at risk for these behaviors. © 2012 Wiley Periodicals, Inc.

  5. [A non-classical approach to medical practices: Michel Foucault and Actor-Network Theory].

    Science.gov (United States)

    Bińczyk, E

    2001-01-01

    The text presents an analysis of medical practices stemming from two sources: Michel Foucault's conception and the research of Annemarie Mol and John Law, representatives of a trend known as Actor-Network Theory. Both approaches reveal significant theoretical kinship: they can be successfully consigned to the framework of non-classical sociology of science. I initially refer to the cited conceptions as a version of non-classical sociology of medicine. The identity of non-classical sociology of medicine hinges on the fact that it undermines the possibility of objective definitions of disease, health and body. These are rather approached as variable social and historical phenomena, co-constituted by medical practices. To both Foucault and Mol the main object of interest was not medicine as such, but rather the network of medical practices. Mol and Law sketch a new theoretical perspective for the analysis of medical practices. They attempt to go beyond the dichotomous scheme of thinking about the human body as an object of medical research and the subject of private experience. Research on patients suffering blood-sugar deficiency provide the empirical background for the thesis of Actor-Network Theory representatives. Michel Foucault's conceptions are extremely critical of medical practices. The French researcher describes the processes of 'medicalising' Western society as the emergence of a new type of power. He attempts to sensitise the reader to the ethical dimension of the processes of medicalising society.

  6. Usefulness of primary care electronic networks to assess the incidence of chlamydia, diagnosed by general practitioners

    Directory of Open Access Journals (Sweden)

    van der Sande Marianne AB

    2011-07-01

    Full Text Available Abstract Background Chlamydia is the most common curable sexually transmitted infection (STI in the Netherlands. The majority of chlamydia diagnoses are made by general practitioners (GPs. Baseline data from primary care will facilitate the future evaluation of the ongoing large population-based screening in the Netherlands. The aim of this study was to assess the usefulness of electronic medical records for monitoring the incidence of chlamydia cases diagnosed in primary care in the Netherlands. Methods In the electronic records of two regional and two national networks, we identified chlamydia diagnoses by means of ICPC codes (International Classification of Primary Care, laboratory results in free text and the prescription of antibiotics. The year of study was 2007 for the two regional networks and one national network, for the other national network the year of study was 2005. We calculated the incidence of diagnosed chlamydia cases per sex, age group and degree of urbanization. Results A large diversity was observed in the way chlamydia episodes were coded in the four different GP networks and how easily information concerning chlamydia diagnoses could be extracted. The overall incidence ranged from 103.2/100,000 to 590.2/100,000. Differences were partly related to differences between patient populations. Nevertheless, we observed similar trends in the incidence of chlamydia diagnoses in all networks and findings were in line with earlier reports. Conclusions Electronic patient records, originally intended for individual patient care in general practice, can be an additional source of data for monitoring chlamydia incidence in primary care and can be of use in assessing the future impact of population-based chlamydia screening programs. To increase the usefulness of data we recommend more efforts to standardize registration by (specific ICPC code and laboratory results across the existing GP networks.

  7. Accurate band gaps and dielectric properties from one-electron theories (abstract only).

    Science.gov (United States)

    Kresse, G; Shishkin, M; Marsman, M; Paier, J

    2008-02-13

    For semiconductor modeling, a major shortcoming of density functional theory is that the predicted band gaps are usually significantly too small. It is generally argued that this shortcoming is related to the fact that density functional theory is a ground state theory, and as a result, one is not allowed to associate the one-electron energies with the energies of quasi-particles. Although this fundamental objection is certainly correct, the modeling of the positioning of donor and acceptor levels in semiconductors faces serious limitations with present density functionals. Several solutions to this problem have been suggested. A particular attractive and fairly simple one is the inclusion of a small fraction of the non-local exchange in the Hamiltonian (hybrid functionals). This approach leads to sensible band gaps for most semiconductors, but fails for ionic solids. A more reliable approach is via many-electron Green's function techniques, which have made tremendous advances in recent years. Here GW calculations in various flavors are presented for small gap and large gap systems, comprising typical semiconductors (Si, SiC, GaAs, GaN, ZnO, ZnS, CdS and AlP), small gap semiconductors (PbS, PbSe, PbTe), insulators (C, BN, MgO, LiF) and noble gas solids (Ar, Ne). The general finding is that single-shot G(0)W(0) calculations based on wavefunctions obtained from conventional density functional theory yield too small band gaps, whereas G(0)W(0) calculations following hybrid functional calculations tend to overestimate the band gaps by roughly the same amount. This is at first sight astonishing, since the hybrid functionals yield very good band gaps themselves. The contradiction is resolved by showing that the inclusion of the attractive electron-hole interactions (excitonic effects) is required to obtain good static and dynamic dielectric functions using hybrid functionals. The corrections are usually incorporated in GW calculations using 'vertex corrections', and in

  8. A theory of local and global processes which affect solar wind electrons. I - The origin of typical 1 AU velocity distribution functions - Steady state theory

    Science.gov (United States)

    Scudder, J. D.; Olbert, S.

    1979-01-01

    A kinetic theory for the velocity distribution of solar wind electrons which illustrates the global and local properties of the solar wind expansion is proposed. By means of the Boltzmann equation with the Krook collision operator accounting for Coulomb collisions, it is found that Coulomb collisions determine the population and shape of the electron distribution function in both the thermal and suprathermal energy regimes. For suprathermal electrons, the cumulative effects of Coulomb interactions are shown to take place on the scale of the heliosphere itself, whereas the Coulomb interactions of thermal electrons occur on a local scale near the point of observation (1 AU). The bifurcation of the electron distribution between thermal and suprathermal electrons is localized to the deep solar corona (1 to 10 solar radii).

  9. Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics

    DEFF Research Database (Denmark)

    Miyagi, Haruhide; Madsen, Lars Bojer

    2013-01-01

    We present the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory as a framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory by incorporating the restricted-active-space scheme...... well known in time-independent quantum chemistry. Optimization of the orbitals as well as the expansion coefficients at each time step makes it possible to construct the wave function accurately while using only a relatively small number of electronic configurations. In numerical calculations of high...

  10. Toward an Analytical and Methodological Understanding of Actor-Network Theory

    Directory of Open Access Journals (Sweden)

    Sharon Jackson

    2015-02-01

    Full Text Available Actor-Network theory (ANT is well developed within social studies of science and technology. The last two decades have seen an increasing awareness and interest in ANT within the social sciences and it has increasingly been invoked to theorise the role of ‘nonhumans’ in social life.  In this respect the conceptual repertoire of ANT has been increasingly drawn upon to examine the relational dimensions between artefacts and people. Despite this the use of ANT as an analytical and/or methodological approach occupies a peripheral within social science research.  In part, the reticence towards ANT may be explained by its lack of theoretical unity. Analytically and methodologically the application of ANT and thought which is closely associated with the approach is considerably varied. ANT informed research often differs quite considerably in terms of methodological approach and style of analyses. This is further complicated by the disparate emphases of ANT proponents and the proliferation of different versions of ANT. Thus, there is no generic way to ‘apply’ actor-network theory and it lacks methodological prescription. This article intends to articulate the analytical and methodological possibilities of ANT. For those who are encountering ANT for the first time or for whom ANT has been regarded as a somewhat left field and inaccessible theory obscured by its own vocabularies and heterogeneity this article may provide a useful conceptual map through which the key elements of ANT can be navigated.

  11. Theory of Microwave Instability and Coherent Synchrotron Radiation in Electron Storage Rings

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Y.; /SLAC

    2011-12-09

    Bursting of coherent synchrotron radiation has been observed and in fact used to generate THz radiation in many electron storage rings. In order to understand and control the bursting, we return to the study of the microwave instability. In this paper, we will report on the theoretical understanding, including recent developments, of the microwave instability in electron storage rings. The historical progress of the theories will be surveyed, starting from the dispersion relation of coasting beams, to the work of Sacherer on a bunched beam, and ending with the Oide and Yokoya method of discretization. This theoretical survey will be supplemented with key experimental results over the years. Finally, we will describe the recent theoretical development of utilizing the Laguerre polynomials in the presence of potential-well distortion. This self-consistent method will be applied to study the microwave instability driven the impedances due to the coherent synchrotron radiation. Over the past quarter century, there has been steady progress toward smaller transverse emittances in electron storage rings used for synchrotron light sources, from tens of nm decades ago to the nm range recently. In contrast, there is not much progress made in the longitudinal plane. For an electron bunch in a typical ring, its relative energy spread {sigma}{sub {delta}} remains about 10{sup -3} and its length {sigma}{sub z} is still in between 5 mm to 10 mm. Now the longitudinal emittance ({sigma}{sub {delta}}{sigma}{sub z}) becomes a factor of thousand larger than those in the transverse dimensions. In this paper, we will address questions of: How short a bunch can be? What is the fundamental limit? If there is a limit, is there any mitigation method? Since the synchrotron radiation is so fundamental in electron storage rings, let us start with the coherent synchrotron radiation (CSR).

  12. Mode conversion electron heating in Alcator C-Mod: Theory and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Bonoli, P. T. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Brambilla, M. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Nelson-Melby, E. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Phillips, C. K. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Porkolab, M. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Schilling, G. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Taylor, G. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Wukitch, S. J. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Boivin, R. L. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Boswell, C. J. [Plasma Science and Fusion Center, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)] (and others)

    2000-05-01

    Localized electron heating [full width at half maximum of {delta}(r/a){approx_equal}0.2] by mode converted ion Bernstein waves (IBW) has been observed in the Alcator C-Mod tokamak [I. H. Hutchinson et al., Phys. Plasmas 1, 1511 (1994)]. These experiments were performed in D({sup 3}He) plasmas at high magnetic field (B{sub 0}=7.9 T), high-plasma density (n{sub e0}{>=}1.5x10{sup 20} m{sup -3}), and for 0.05{<=}n{sub He-3}/n{sub e}{<=}0.30. Electron heating profiles of the mode converted IBW were measured using a break in slope analysis of the electron temperature versus time in the presence of rf (radio frequency) modulation. The peak position of electron heating was found to be well-correlated with {sup 3}He concentration, in agreement with the predictions of cold plasma theory. Recently, a toroidal full-wave ion cyclotron range of frequencies (ICRF) code TORIC [M. Brambilla, Nucl. Fusion 38, 1805 (1998)] was modified to include the effects of IBW electron Landau damping at (k{sub (perpendicular} {sub sign)}{rho}{sub i}){sup 2}>>1, This model was used in combination with a 1D (one-dimensional) integral wave equation code METS [D. N. Smithe et al., Radio Frequency Power in Plasmas, AIP Conf. Proc. 403 (1997), p. 367] to analyze these experiments. Model predictions were found to be in qualitative and in some instances quantitative agreement with experimental measurements. A model for mode conversion current drive (MCCD) has also been developed which combines a toroidal full wave code with an adjoint evaluation of the ICRF current drive efficiency. Predictions for off-axis MCCD in C-Mod have been made using this model and will be described. (c) 2000 American Institute of Physics.

  13. Criminal groups and transnational illegal markets : A more detailed examination on the basis of Social Network Theory

    NARCIS (Netherlands)

    Bruinsma, Gerben; Bernasco, Wim

    In the study of organised crime, the traditional view of criminal groups as centrally controlled organisations has been replaced by the notion of criminal networks. However, little use has been made of concepts and theories of social networks that have developed in other social sciences. This paper

  14. Beyond the Player: A User-Centered Approach to Analyzing Digital Games and Players Using Actor-Network Theory

    Science.gov (United States)

    Hung, Aaron Chia Yuan

    2016-01-01

    The paper uses actor-network theory (ANT) to analyze the sociotechnical networks of three groups of adolescents who played online games in different physical and social contexts. These include: an internet café, which allowed the players to be co-present; a personal laptop, which gave the player more control over how he played; and at home through…

  15. Predictive models for pressure ulcers from intensive care unit electronic health records using Bayesian networks.

    Science.gov (United States)

    Kaewprag, Pacharmon; Newton, Cheryl; Vermillion, Brenda; Hyun, Sookyung; Huang, Kun; Machiraju, Raghu

    2017-07-05

    We develop predictive models enabling clinicians to better understand and explore patient clinical data along with risk factors for pressure ulcers in intensive care unit patients from electronic health record data. Identifying accurate risk factors of pressure ulcers is essential to determining appropriate prevention strategies; in this work we examine medication, diagnosis, and traditional Braden pressure ulcer assessment scale measurements as patient features. In order to predict pressure ulcer incidence and better understand the structure of related risk factors, we construct Bayesian networks from patient features. Bayesian network nodes (features) and edges (conditional dependencies) are simplified with statistical network techniques. Upon reviewing a network visualization of our model, our clinician collaborators were able to identify strong relationships between risk factors widely recognized as associated with pressure ulcers. We present a three-stage framework for predictive analysis of patient clinical data: 1) Developing electronic health record feature extraction functions with assistance of clinicians, 2) simplifying features, and 3) building Bayesian network predictive models. We evaluate all combinations of Bayesian network models from different search algorithms, scoring functions, prior structure initializations, and sets of features. From the EHRs of 7,717 ICU patients, we construct Bayesian network predictive models from 86 medication, diagnosis, and Braden scale features. Our model not only identifies known and suspected high PU risk factors, but also substantially increases sensitivity of the prediction - nearly three times higher comparing to logistical regression models - without sacrificing the overall accuracy. We visualize a representative model with which our clinician collaborators identify strong relationships between risk factors widely recognized as associated with pressure ulcers. Given the strong adverse effect of pressure ulcers

  16. Spectrum and network measurements

    CERN Document Server

    Witte, Robert A

    2014-01-01

    This new edition of Spectrum and Network Measurements enables readers to understand the basic theory, relate it to measured results, and apply it when creating new designs. This comprehensive treatment of frequency domain measurements successfully consolidates all the pertinent theory into one text. It covers the theory and practice of spectrum and network measurements in electronic systems. It also provides thorough coverage of Fourier analysis, transmission lines, intermodulation distortion, signal-to-noise ratio and S-parameters.

  17. Electronic structure of oxygen-terminated zigzag graphene nanoribbons: A hybrid density functional theory study

    Science.gov (United States)

    Ramasubramaniam, Ashwin

    2010-06-01

    The size-dependent electronic structure of oxygen-terminated zigzag graphene nanoribbons is investigated using standard density functional theory (DFT) with an exchange-correlation functional of the generalized gradient approximation form as well as hybrid DFT calculations with two different exchange-correlation functionals. Hybrid DFT calculations, which typically provide more accurate band gaps than standard DFT, are found to predict semiconducting behavior in oxygen-terminated zigzag graphene nanoribbons; this is in distinct contrast to standard DFT with (semi)local exchange-correlation functionals, which have been widely employed in previous studies and shown to predict metallic behavior. (Semi)local exchange-correlation functionals employed in standard DFT calculations cause unphysical delocalization of lone pairs from the oxygen atoms due to self-interaction errors and lead to metallic behavior. Hybrid DFT calculations do not suffer from this spurious effect and produce a clear size-dependent band gap. Appreciable fundamental band gaps (˜1eV) are found for the smallest ribbons (two zigzag rows); the band gap decreases rapidly with increasing ribbon width, resulting eventually in a zero band-gap semiconductor at about 4-5 zigzag rows. This finding could have useful implications for molecular electronics, in particular, since oxygen-terminated zigzag graphene nanoribbons are thermodynamically stable unlike their hydrogenated counterparts. More generally, through a concrete example, this study suggests caution when employing (semi)local functionals in DFT studies of functionalized graphene/graphene derivatives when the functional groups contain electron lone pairs.

  18. Pressure-Dependent Electronic and Transport Properties of Bulk Platinum Oxide by Density Functional Theory

    Science.gov (United States)

    Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Nekrasov, Kirill A.; Kichigina, Natalia V.

    2018-02-01

    The structural, electronic, and vibrational properties of bulk platinum oxide (PtO) at compressive pressures in the interval from 0 GPa to 35 GPa are investigated using the density functional theory. The calculated electronic band structure of PtO shows poor metallicity at very low density of states on the Fermi level. However, the hybrid pseudopotential calculation yielded 0.78 eV and 1.30 eV direct band and indirect gap, respectively. Importantly, our results predict that PtO has a direct band gap within the framework of HSE06, and it prefers equally zero magnetic order at different pressures. In the Raman spectra, peaks are slightly shifted towards higher frequency with the decrease in pressure. We have also calculated the thermoelectric properties, namely the electronic thermal conductivity and electrical conductivity, with respect to temperature and thermodynamic properties such as entropy, specific heat at constant volume, enthalpy and Gibbs free energy with respect to pressure. The result shows that PtO is a promising candidate for use as a catalyst, in sensors, as a photo-cathode in water electrolysis, for thermal decomposition of inorganic salt and fuel cells.

  19. Pressure-Dependent Electronic and Transport Properties of Bulk Platinum Oxide by Density Functional Theory

    Science.gov (United States)

    Kansara, Shivam; Gupta, Sanjeev K.; Sonvane, Yogesh; Nekrasov, Kirill A.; Kichigina, Natalia V.

    2017-11-01

    The structural, electronic, and vibrational properties of bulk platinum oxide (PtO) at compressive pressures in the interval from 0 GPa to 35 GPa are investigated using the density functional theory. The calculated electronic band structure of PtO shows poor metallicity at very low density of states on the Fermi level. However, the hybrid pseudopotential calculation yielded 0.78 eV and 1.30 eV direct band and indirect gap, respectively. Importantly, our results predict that PtO has a direct band gap within the framework of HSE06, and it prefers equally zero magnetic order at different pressures. In the Raman spectra, peaks are slightly shifted towards higher frequency with the decrease in pressure. We have also calculated the thermoelectric properties, namely the electronic thermal conductivity and electrical conductivity, with respect to temperature and thermodynamic properties such as entropy, specific heat at constant volume, enthalpy and Gibbs free energy with respect to pressure. The result shows that PtO is a promising candidate for use as a catalyst, in sensors, as a photo-cathode in water electrolysis, for thermal decomposition of inorganic salt and fuel cells.

  20. A Modified Decomposed Theory of Planned Behaviour Model to Analyze User Intention towards Distance-Based Electronic Toll Collection Services

    Directory of Open Access Journals (Sweden)

    Chi-Chung Tao

    2017-02-01

    Full Text Available This study proposes a modified decomposed theory of planned behaviour model (DTPB that integrates satisfaction and trust into the original DTPB model to explore what kind of factors affect the user intention towards distance-based electronic toll collection (ETC services. The proposed model is empirically tested by using data collected from a questionnaire survey with a computer assisted telephone interview system. Empirical analysis is carried out in three stages that combine confirmatory factor analysis, structural equation modelling (SEM, and Bayesian network: (1 examination of reliability and validity of the measurement model; (2 analysis of structural model; (3 prediction of the probability of user intention change based on rigorous framework of SEM. The results confirm that the satisfaction and trust have positive effects on the behaviour intention, also validating that five constructs have indirect effects on the behaviour intention through attitude and perceived behaviour control. Compatibility is the most important influence factor, followed by perceived usefulness, facilitating conditions, self-efficacy, and perceived ease of use. The findings of this study identify potential improvements for ETC operator, such as contributing to the society to enhance the company image and trust of enterprise with charity activities, and simultaneously upgrading the information platform of website, software, and Apps.

  1. OUTDOOR RECREATION THROUGH THE PRISM OF ACTOR-NETWORK THEORY: CHALLENGES AND PROSPECTS

    Directory of Open Access Journals (Sweden)

    Yohann Rech

    2009-12-01

    Full Text Available Actor-network theory (ANT shows how scientific and technical innovations may take the form of a socio-technical network, by the aggregation of humans and non-humans (Callon, 1986; Latour, 1989. This article reflects on the contributions and limits of ANT to examine a particular object of research presenting regular innovations: the outdoor recreation. Firstly, the integration of non-humans to the analysis (Latour, 2006 is relevant in the study of nature sports because physical entities transform the action and involve specific associations. Then it is a particular epistemological positioning that shakes the dichotomies up and givesimportance to the reflexive activity of actors. Finally, understanding the development of collectives is useful for the study of nature sports. The construction of a social coexistence between different activities (sports activities and other activities strongly questions the political transformation of contemporary democracy, including the establishment of a participatory management.

  2. Flaw-tolerance of nonlocal discrete systems and interpretation according to network theory

    Directory of Open Access Journals (Sweden)

    A. Infuso

    2014-07-01

    Full Text Available Discrete systems are modeled as a network of nodes (particles, molecules, or atoms linked by nonlinear springs to simulate the action of van der Waals forces. Such systems are nonlocal if links connecting non-adjacent nodes are introduced. For their topological characterization, a nonlocality index (NLI inspired by network theory is proposed. The mechanical response of 1D and 2D nonlocal discrete systems is predicted according to finite element (FE simulations based on a nonlinear spring element for large displacements implemented in the FE programme FEAP. Uniaxial force-displacement responses of intact and defective systems (with links or nodes removed are numerically simulated. Strain localization phenomena, size-scale effects and the ability to tolerate defects are investigated by varying the degree of nonlocality.

  3. Cryptographic Puzzles and Game Theory against DoS and DDoS attacks in Networks

    DEFF Research Database (Denmark)

    Mikalas, Antonis; Komninos, Nikos; Prasad, Neeli R.

    2008-01-01

    In this chapter, we present techniques to defeat Denial of Service (DoS) and Distributed Denial of Service (DDoS) attacks. In the _rst part, we describe client puzzle techniques that are based on the idea of computationally exhausting a malicious user when he attempts to launch an attack. In the ......In this chapter, we present techniques to defeat Denial of Service (DoS) and Distributed Denial of Service (DDoS) attacks. In the _rst part, we describe client puzzle techniques that are based on the idea of computationally exhausting a malicious user when he attempts to launch an attack....... In the second part we are introducing some basic principles of game theory and we discuss how game theoretical frameworks can protect computer networks. Finally, we show techniques that combine client puzzles with game theory in order to provide DoS and DDoS resilience....

  4. Performing Sociology Through Actor-Network Theory: From Impressionist Cartography to the Dirtiness of Mediations

    Directory of Open Access Journals (Sweden)

    Daniel Muriel

    2011-03-01

    Full Text Available In this paper I try to outline the existence of certain problems I have found during my research work, within sociology discipline, when it comes to follow some of the main threads of the complex fabric that constitutes the Actor-Network Theory (ANT. In the same way, I suggest some possible subterfuges to go around those problems. Two are the problems and two are the subterfuges as well destined to tackle them. On the one hand, I face the problem of the magnitude and fidelity that ANT's descriptions demand, thoroughly detailed and local, which clashes with the requirements of sociological theory that seeks abstractions and regularities. The subterfuge I propose is the one called "impressionist cartography". On the other hand, I bump into the difficulty of the irreversibility of mediations and the sanitized representations carried out, sometimes, by ANT. In order to fight this, I use the subterfuge oriented to adopt the premise of the "inevitable dirtiness of mediations".

  5. Securing mobile ad hoc networks using danger theory-based artificial immune algorithm.

    Science.gov (United States)

    Abdelhaq, Maha; Alsaqour, Raed; Abdelhaq, Shawkat

    2015-01-01

    A mobile ad hoc network (MANET) is a set of mobile, decentralized, and self-organizing nodes that are used in special cases, such as in the military. MANET properties render the environment of this network vulnerable to different types of attacks, including black hole, wormhole and flooding-based attacks. Flooding-based attacks are one of the most dangerous attacks that aim to consume all network resources and thus paralyze the functionality of the whole network. Therefore, the objective of this paper is to investigate the capability of a danger theory-based artificial immune algorithm called the mobile dendritic cell algorithm (MDCA) to detect flooding-based attacks in MANETs. The MDCA applies the dendritic cell algorithm (DCA) to secure the MANET with additional improvements. The MDCA is tested and validated using Qualnet v7.1 simulation tool. This work also introduces a new simulation module for a flooding attack called the resource consumption attack (RCA) using Qualnet v7.1. The results highlight the high efficiency of the MDCA in detecting RCAs in MANETs.

  6. Securing mobile ad hoc networks using danger theory-based artificial immune algorithm.

    Directory of Open Access Journals (Sweden)

    Maha Abdelhaq

    Full Text Available A mobile ad hoc network (MANET is a set of mobile, decentralized, and self-organizing nodes that are used in special cases, such as in the military. MANET properties render the environment of this network vulnerable to different types of attacks, including black hole, wormhole and flooding-based attacks. Flooding-based attacks are one of the most dangerous attacks that aim to consume all network resources and thus paralyze the functionality of the whole network. Therefore, the objective of this paper is to investigate the capability of a danger theory-based artificial immune algorithm called the mobile dendritic cell algorithm (MDCA to detect flooding-based attacks in MANETs. The MDCA applies the dendritic cell algorithm (DCA to secure the MANET with additional improvements. The MDCA is tested and validated using Qualnet v7.1 simulation tool. This work also introduces a new simulation module for a flooding attack called the resource consumption attack (RCA using Qualnet v7.1. The results highlight the high efficiency of the MDCA in detecting RCAs in MANETs.

  7. Brain network connectivity in women exposed to intimate partner violence: a graph theory analysis study.

    Science.gov (United States)

    Roos, Annerine; Fouche, Jean-Paul; Stein, Dan J

    2016-10-18

    Evidence suggests that women who suffer from intimate partner violence (IPV) and posttraumatic stress disorder (PTSD) have structural and functional alterations in specific brain regions. Yet, little is known about how brain connectivity may be altered in individuals with IPV, but without PTSD. Women exposed to IPV (n = 18) and healthy controls (n = 18) underwent structural brain imaging using a Siemens 3T MRI. Global and regional brain network connectivity measures were determined, using graph theory analyses. Structural covariance networks were created using volumetric and cortical thickness data after controlling for intracranial volume, age and alcohol use. Nonparametric permutation tests were used to investigate group differences. Findings revealed altered connectivity on a global and regional level in the IPV group of regions involved in cognitive-emotional control, with principal involvement of the caudal anterior cingulate, the middle temporal gyrus, left amygdala and ventral diencephalon that includes the thalamus. To our knowledge, this is the first evidence showing different brain network connectivity in global and regional networks in women exposed to IPV, and without PTSD. Altered cognitive-emotional control in IPV may underlie adaptive neural mechanisms in environments characterized by potentially dangerous cues.

  8. Data collection method for mobile sensor networks based on the theory of thermal fields.

    Science.gov (United States)

    Macuha, Martin; Tariq, Muhammad; Sato, Takuro

    2011-01-01

    Many sensor applications are aimed for mobile objects, where conventional routing approaches of data delivery might fail. Such applications are habitat monitoring, human probes or vehicular sensing systems. This paper targets such applications and proposes lightweight proactive distributed data collection scheme for Mobile Sensor Networks (MSN) based on the theory of thermal fields. By proper mapping, we create distribution function which allows considering characteristics of a sensor node. We show the functionality of our proposed forwarding method when adapted to the energy of sensor node. We also propose enhancement in order to maximize lifetime of the sensor nodes. We thoroughly evaluate proposed solution and discuss the tradeoffs.

  9. Finite-temperature field theory and quantum noise in an electrical network

    Energy Technology Data Exchange (ETDEWEB)

    Garavaglia, T.

    1988-10-15

    Finite-temperature (0less than or equal toTtheory with an effective spectral Lagrangian density formulation is used to study quantum noise in an electrical network. Solutions for the finite second moments that satisfy the uncertainty principle bound are given for a dissipative quantum oscillator. A regularization method, based on the analysis of a semi-infinite low-pass filter, is employed, and it leads to results which differ from those of the Drude model. To illustrate the FTF method, an example is given using an ideal finite-temperature coherent state.

  10. Connecting game theory and evolutionary network control for the computational control of soccer matches

    Directory of Open Access Journals (Sweden)

    Alessandro Ferrarini

    2015-03-01

    Full Text Available Game theory, also known as interactive decision theory, is an umbrella term for the logical side of decision science, including both human and non-human events. In this paper a new game theory model is introduced in order to tame complex human events like soccer matches. Soccer-Decoder is a math algorithm recently introduced in order to simulate soccer matches by merging together 3 scientific methods: game theory, differential calculus and stochastic simulations. The philosophy behind Soccer-Decoder is that even very complex real world events, when turned into their irreducible essence, can be understood and predicted. In this work, Soccer-Decoder is combined with Evolutionary Network Control in order to provide a proficient tool to decide the most proper game strategies for determining winning strategies in soccer events. An illustrative example is given. The ratio behind this work is that even very complex real world events can be simulated and then controlled when using appropriate scientific tools.

  11. Real-Time Dynamics in U(1 Lattice Gauge Theories with Tensor Networks

    Directory of Open Access Journals (Sweden)

    T. Pichler

    2016-03-01

    Full Text Available Tensor network algorithms provide a suitable route for tackling real-time-dependent problems in lattice gauge theories, enabling the investigation of out-of-equilibrium dynamics. We analyze a U(1 lattice gauge theory in (1+1 dimensions in the presence of dynamical matter for different mass and electric-field couplings, a theory akin to quantum electrodynamics in one dimension, which displays string breaking: The confining string between charges can spontaneously break during quench experiments, giving rise to charge-anticharge pairs according to the Schwinger mechanism. We study the real-time spreading of excitations in the system by means of electric-field and particle fluctuations. We determine a dynamical state diagram for string breaking and quantitatively evaluate the time scales for mass production. We also show that the time evolution of the quantum correlations can be detected via bipartite von Neumann entropies, thus demonstrating that the Schwinger mechanism is tightly linked to entanglement spreading. To present a variety of possible applications of this simulation platform, we show how one could follow the real-time scattering processes between mesons and the creation of entanglement during scattering processes. Finally, we test the quality of quantum simulations of these dynamics, quantifying the role of possible imperfections in cold atoms, trapped ions, and superconducting circuit systems. Our results demonstrate how entanglement properties can be used to deepen our understanding of basic phenomena in the real-time dynamics of gauge theories such as string breaking and collisions.

  12. Applications of the Information Theory to Problems of Molecular Electronic Structure and Chemical Reactivity

    Directory of Open Access Journals (Sweden)

    Roman F. Nalewajski

    2002-04-01

    Full Text Available Abstract: Recent studies on applications of the information theoretic concepts to molecular systems are reviewed. This survey covers the information theory basis of the Hirshfeld partitioning of molecular electron densities, its generalization to many electron probabilities, the local information distance analysis of molecular charge distributions, the charge transfer descriptors of the donor-acceptor reactive systems, the elements of a “thermodynamic” description of molecular charge displacements, both “vertical” (between molecular fragments for the fixed overall density and “horizontal” (involving different molecular densities, with the entropic representation description provided by the information theory. The average uncertainty measures of bond multiplicities in molecular “communication” systems are also briefly summarized. After an overview of alternative indicators of the information distance (entropy deficiency, missing information between probability distributions the properties of the “stockholder” densities, which minimize the entropy deficiency relative to the promolecule reference, are summarized. In particular, the surprisal analysis of molecular densities is advocated as an attractive information-theoretic tool in the electronic structure theory, supplementary to the familiar density difference diagrams. The subsystem information density equalization rules satisfied by the Hirshfeld molecular fragments are emphasized: the local values of alternative information distance densities of subsystems are equal to the corresponding global value, characterizing the molecule as a whole. These local measures of the information content are semi-quantitatively related to the molecular density difference function. In the density functional theory the effective external potentials of molecular fragments are defined, for which

  13. The Electronic Medical Records and Genomics (eMERGE) Network: past, present, and future.

    Science.gov (United States)

    Gottesman, Omri; Kuivaniemi, Helena; Tromp, Gerard; Faucett, W Andrew; Li, Rongling; Manolio, Teri A; Sanderson, Saskia C; Kannry, Joseph; Zinberg, Randi; Basford, Melissa A; Brilliant, Murray; Carey, David J; Chisholm, Rex L; Chute, Christopher G; Connolly, John J; Crosslin, David; Denny, Joshua C; Gallego, Carlos J; Haines, Jonathan L; Hakonarson, Hakon; Harley, John; Jarvik, Gail P; Kohane, Isaac; Kullo, Iftikhar J; Larson, Eric B; McCarty, Catherine; Ritchie, Marylyn D; Roden, Dan M; Smith, Maureen E; Böttinger, Erwin P; Williams, Marc S

    2013-10-01

    The Electronic Medical Records and Genomics Network is a National Human Genome Research Institute-funded consortium engaged in the development of methods and best practices for using the electronic medical record as a tool for genomic research. Now in its sixth year and second funding cycle, and comprising nine research groups and a coordinating center, the network has played a major role in validating the concept that clinical data derived from electronic medical records can be used successfully for genomic research. Current work is advancing knowledge in multiple disciplines at the intersection of genomics and health-care informatics, particularly for electronic phenotyping, genome-wide association studies, genomic medicine implementation, and the ethical and regulatory issues associated with genomics research and returning results to study participants. Here, we describe the evolution, accomplishments, opportunities, and challenges of the network from its inception as a five-group consortium focused on genotype-phenotype associations for genomic discovery to its current form as a nine-group consortium pivoting toward the implementation of genomic medicine.

  14. Teaching strategies applied to teaching computer networks in Engineering in Telecommunications and Electronics

    Directory of Open Access Journals (Sweden)

    Elio Manuel Castañeda-González

    2016-07-01

    Full Text Available Because of the large impact that today computer networks, their study in related fields such as Telecommunications Engineering and Electronics is presented to the student with great appeal. However, by digging in content, lacking a strong practical component, you can make this interest decreases considerably. This paper proposes the use of teaching strategies and analogies, media and interactive applications that enhance the teaching of discipline networks and encourage their study. It is part of an analysis of how the teaching of the discipline process is performed and then a description of each of these strategies is done with their respective contribution to student learning.

  15. Power Electronic Systems for Switched Reluctance Generator based Wind Farms and DC Networks

    DEFF Research Database (Denmark)

    Park, Kiwoo

    . Under these circumstances, research on dc network connection with a novel wind power generator system is presented in this thesis, which mainly consists of two major parts: control of a Switched Reluctance Generator (SRG) system and development of dc-dc converters for a dc network system in a wind farm...... components into the torque reference to compensate the ripples in the actual output torque. The effectiveness and resulting improvement in the performance of both the proposed speed controller and torque minimization technique are demonstrated by simulation results. The modern power electronic interfaces...

  16. Social network theory applied to resting-state fMRI connectivity data in the identification of epilepsy networks with iterative feature selection.

    Science.gov (United States)

    Zhang, Xiaohui; Tokoglu, Fuyuze; Negishi, Michiro; Arora, Jagriti; Winstanley, Scott; Spencer, Dennis D; Constable, R Todd

    2011-07-15

    Epilepsy is a brain disorder usually associated with abnormal cortical and/or subcortical functional networks. Exploration of the abnormal network properties and localization of the brain regions involved in human epilepsy networks are critical for both the understanding of the epilepsy networks and planning therapeutic strategies. Currently, most localization of seizure networks come from ictal EEG observations. Functional MRI provides high spatial resolution together with more complete anatomical coverage compared with EEG and may have advantages if it can be used to identify the network(s) associated with seizure onset and propagation. Epilepsy networks are believed to be present with detectable abnormal signatures even during the interictal state. In this study, epilepsy networks were investigated using resting-state fMRI acquired with the subjects in the interictal state. We tested the hypothesis that social network theory applied to resting-state fMRI data could reveal abnormal network properties at the group level. Using network data as input to a classification algorithm allowed separation of medial temporal lobe epilepsy (MTLE) patients from normal control subjects indicating the potential value of such network analyses in epilepsy. Five local network properties obtained from 36 anatomically defined ROIs were input as features to the classifier. An iterative feature selection strategy based on the classification efficiency that can avoid 'over-fitting' is proposed to further improve the classification accuracy. An average sensitivity of 77.2% and specificity of 83.86% were achieved via 'leave one out' cross validation. This finding of significantly abnormal network properties in group level data confirmed our initial hypothesis and provides motivation for further investigation of the epilepsy process at the network level. Copyright © 2011 Elsevier B.V. All rights reserved.

  17. ES12; The 24th Annual Workshop on Recent Developments in Electronic Structure Theory

    Energy Technology Data Exchange (ETDEWEB)

    Holzwarth, Natalie [Wake Forest Univ., Winston-Salem, NC (United States); Thonhauser, Timo [Wake Forest Univ., Winston-Salem, NC (United States); Salam, Akbar [Wake Forest Univ., Winston-Salem, NC (United States)

    2012-06-29

    ES12: The 24th Annual Workshop on Recent Developments in Electronic Structure Theory was held June 5-8, 2012 at Wake Forest University in Winston-Salem, NC 27109. The program consisted of 24 oral presentations, 70 posters, and 2 panel discussions. The attendance of the Workshop was comparable to or larger than previous workshops and participation was impressively diverse. The 136 participants came from all over the world and included undergraduate students, graduate students, postdoctoral researchers, and senior scientists. The general assessment of the Workshop was extremely positive in terms of the high level of scientific presentations and discussions, and in terms of the schedule, accommodations, and affordability of the meeting.

  18. Linear-response theory of Coulomb drag in coupled electron systems

    DEFF Research Database (Denmark)

    Flensberg, Karsten; Hu, Ben Yu-Kuang; Jauho, Antti-Pekka

    1995-01-01

    We report a fully microscopic theory for the transconductivity, or, equivalently, the momentum transfer rate, of Coulomb coupled electron systems. We use the Kubo linear-response formalism and our main formal result expresses the transconductivity in terms of two fluctuation diagrams, which...... are topologically related but not equivalent to the Aslamazov-Larkin diagrams known from superconductivity. Results reported elsewhere are shown to be special cases of our general expression; specifically, we recover the Boltzmann equation result in the semiclassical clean limit and the memory function results...... for dirty systems with constant impurity scattering rates. Furthermore, we show that for energy-dependent relaxation times, the final result is not expressible in terms of standard density-response functions. Other results include (i) at T = 0, the frequency dependence of the transfer rate is found...

  19. Large-scale all-electron density functional theory calculations using an enriched finite element basis

    CERN Document Server

    Kanungo, Bikash

    2016-01-01

    We present a computationally efficient approach to perform large-scale all-electron density functional theory calculations by enriching the classical finite element basis with compactly supported atom-centered numerical basis functions that are constructed from the solution of the Kohn-Sham (KS) problem for single atoms. We term these numerical basis functions as enrichment functions, and the resultant basis as the enriched finite element basis. The enrichment functions are compactly supported through the use of smooth cutoff functions, which enhances the conditioning and maintains the locality of the basis. The integrals involved in the evaluation of the discrete KS Hamiltonian and overlap matrix in the enriched finite element basis are computed using an adaptive quadrature grid based on the characteristics of enrichment functions. Further, we propose an efficient scheme to invert the overlap matrix by using a block-wise matrix inversion in conjunction with special reduced-order quadrature rules to transform...

  20. Ionic and electronic transport properties in dense plasmas by orbital-free density functional theory.

    Science.gov (United States)

    Sjostrom, Travis; Daligault, Jérôme

    2015-12-01

    We validate the application of our recent orbital-free density functional theory (DFT) approach [Phys. Rev. Lett. 113, 155006 (2014);] for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we calculate the self-diffusion coefficient, the viscosity coefficient, the electrical and thermal conductivities, and the reflectivity coefficient of hydrogen and aluminum plasmas. Very good agreement is found with orbital-based Kohn-Sham DFT calculations at lower temperatures. Because the computational costs of the method do not increase with temperature, we can produce results at much higher temperatures than is accessible by the Kohn-Sham method. Our results for warm dense aluminum at solid density are inconsistent with the recent experimental results reported by Sperling et al. [Phys. Rev. Lett. 115, 115001 (2015)].

  1. Density function theory study on structures and electronic properties of 2Meq2AlOPh and its derivatives

    Science.gov (United States)

    Ji, Yanju; Liu, Xiaocun; Fu, Gang; Chen, Ying; Wang, Fengxiang; Zhao, Junqing

    2015-07-01

    Structures and electronic properties of 2Meq2AlOC6H4R (R=CN, Cl, H, OMe, NMe2) have been studied in the scheme of density function theory with the B3LYP and the 6-31G (d) basis set. The substitutions of the electron-withdrawing groups (CN, Cl) increase the band gap while the substitutions of the electron-donating groups (OMe, NMe2) decrease the gap. The substitutions of electron-withdrawing groups enhance the electron injection ability. In addition, the vertical ionization energies (IEV), the vertical electronic affinities (EAV) and reorganization energies of 2Meq2AlOPh and its derivatives are calculated in the work. All complexes are better electron transport materials.

  2. Extraction of business relationships in supply networks using statistical learning theory

    Directory of Open Access Journals (Sweden)

    Yi Zuo

    2016-06-01

    Full Text Available Supply chain management represents one of the most important scientific streams of operations research. The supply of energy, materials, products, and services involves millions of transactions conducted among national and local business enterprises. To deliver efficient and effective support for supply chain design and management, structural analyses and predictive models of customer–supplier relationships are expected to clarify current enterprise business conditions and to help enterprises identify innovative business partners for future success. This article presents the outcomes of a recent structural investigation concerning a supply network in the central area of Japan. We investigated the effectiveness of statistical learning theory to express the individual differences of a supply chain of enterprises within a certain business community using social network analysis. In the experiments, we employ support vector machine to train a customer–supplier relationship model on one of the main communities extracted from a supply network in the central area of Japan. The prediction results reveal an F-value of approximately 70% when the model is built by using network-based features, and an F-value of approximately 77% when the model is built by using attribute-based features. When we build the model based on both, F-values are improved to approximately 82%. The results of this research can help to dispel the implicit design space concerning customer–supplier relationships, which can be explored and refined from detailed topological information provided by network structures rather than from traditional and attribute-related enterprise profiles. We also investigate and discuss differences in the predictive accuracy of the model for different sizes of enterprises and types of business communities.

  3. Extraction of business relationships in supply networks using statistical learning theory.

    Science.gov (United States)

    Zuo, Yi; Kajikawa, Yuya; Mori, Junichiro

    2016-06-01

    Supply chain management represents one of the most important scientific streams of operations research. The supply of energy, materials, products, and services involves millions of transactions conducted among national and local business enterprises. To deliver efficient and effective support for supply chain design and management, structural analyses and predictive models of customer-supplier relationships are expected to clarify current enterprise business conditions and to help enterprises identify innovative business partners for future success. This article presents the outcomes of a recent structural investigation concerning a supply network in the central area of Japan. We investigated the effectiveness of statistical learning theory to express the individual differences of a supply chain of enterprises within a certain business community using social network analysis. In the experiments, we employ support vector machine to train a customer-supplier relationship model on one of the main communities extracted from a supply network in the central area of Japan. The prediction results reveal an F-value of approximately 70% when the model is built by using network-based features, and an F-value of approximately 77% when the model is built by using attribute-based features. When we build the model based on both, F-values are improved to approximately 82%. The results of this research can help to dispel the implicit design space concerning customer-supplier relationships, which can be explored and refined from detailed topological information provided by network structures rather than from traditional and attribute-related enterprise profiles. We also investigate and discuss differences in the predictive accuracy of the model for different sizes of enterprises and types of business communities.

  4. In Silico Modeling of Indigo and Tyrian Purple Single-Electron Nano-Transistors Using Density Functional Theory Approach

    Science.gov (United States)

    Shityakov, Sergey; Roewer, Norbert; Förster, Carola; Broscheit, Jens-Albert

    2017-07-01

    The purpose of this study was to develop and implement an in silico model of indigoid-based single-electron transistor (SET) nanodevices, which consist of indigoid molecules from natural dye weakly coupled to gold electrodes that function in a Coulomb blockade regime. The electronic properties of the indigoid molecules were investigated using the optimized density-functional theory (DFT) with a continuum model. Higher electron transport characteristics were determined for Tyrian purple, consistent with experimentally derived data. Overall, these results can be used to correctly predict and emphasize the electron transport functions of organic SETs, demonstrating their potential for sustainable nanoelectronics comprising the biodegradable and biocompatible materials.

  5. PROBLEM OF INTERNET COMMUNICATION OF UPPER SECONDARY SCHOOL PUPILS IN ELECTRONIC SOCIAL NETWORKS

    Directory of Open Access Journals (Sweden)

    Olga E. Konevshchynska

    2017-09-01

    Full Text Available The article deals with the problem of Internet communication of upper secondary school pupils during interpersonal communication in electronic social networks. The actuality is proved, the system analysis of the psychological and pedagogical, educational-methodical literature of the researched problem is carried out. External written Internet speaking is considered as an important factor in the communication culture of the individual. It has been determined that high level of Internet communication of both students and teachers in the process of interpersonal communication in electronic social networks are important aspects of raising the level of media culture, media information competence of the individual. Also, these ones are necessary requirements of the information society to fulfill project-oriented, educational-cognitive and effective innovative activity in educational practice.

  6. Investigation of Strategic Changes Using Patent Co-Inventor Network Analysis: The Case of Samsung Electronics

    Directory of Open Access Journals (Sweden)

    Sungchul Choi

    2016-12-01

    Full Text Available The aim of this paper is to propose a method to investigate a firm’s strategic changes. Technologies or technological capabilities are a major resource for achieving competitive advantages, so a firm’s R&D effort to improve capabilities on specific technologies is aligned with strategic direction. Therefore, this research analyzes changes in R&D efforts by identifying key R&D personnel using patent co-inventor network and social network analysis. Based on characteristics of application and granted patents, the method analyzes current and future R&D efforts and so identifies strategic changes of a firm. We conducted an empirical analysis using the patents of Samsung Electronics. Our method analyzed the current and future strategies of Samsung Electronics and the result shows clear strategic changes in their focal technologies and business.

  7. Competitive Remix Practice and Networks of Support in Electronic Dance Music Economies

    Directory of Open Access Journals (Sweden)

    Jonathan Karpetz

    2014-12-01

    Full Text Available The rapid development and dissemination of social media fueled competition platforms has led to immediate shifts in the practices of creative workers in fields related to contest offerings.  In Electronic Dance Music (EDM, crowdsourced competitive remix platforms have reoriented certain practices into networks of competition, where winning distinction is often only part of a larger process of further enmeshing DJs, music producers and their supporters in the social media fueled ecosystems that these websites have created. In order to begin to analyze the impact of remix competitions on producers and their personal and professional networks, I intend to trace a line of recent history and debate to reveal the connections linking EDM websites, labels, marketers, DJs, producers and supporters and their engagement with remix competition platforms. I will examine the call for support that is involved in so much of socially networked EDM communication between contestants and their peers surrounding these remix contests.

  8. Training a Network of Electronic Neurons for Control of a Mobile Robot

    Science.gov (United States)

    Vromen, T. G. M.; Steur, E.; Nijmeijer, H.

    An adaptive training procedure is developed for a network of electronic neurons, which controls a mobile robot driving around in an unknown environment while avoiding obstacles. The neuronal network controls the angular velocity of the wheels of the robot based on the sensor readings. The nodes in the neuronal network controller are clusters of neurons rather than single neurons. The adaptive training procedure ensures that the input-output behavior of the clusters is identical, even though the constituting neurons are nonidentical and have, in isolation, nonidentical responses to the same input. In particular, we let the neurons interact via a diffusive coupling, and the proposed training procedure modifies the diffusion interaction weights such that the neurons behave synchronously with a predefined response. The working principle of the training procedure is experimentally validated and results of an experiment with a mobile robot that is completely autonomously driving in an unknown environment with obstacles are presented.

  9. Analytical transport network theory to guide the design of 3-D microstructural networks in energy materials: Part 1. Flow without reactions

    Science.gov (United States)

    Cocco, Alex P.; Nakajo, Arata; Chiu, Wilson K. S.

    2017-12-01

    We present a fully analytical, heuristic model - the "Analytical Transport Network Model" - for steady-state, diffusive, potential flow through a 3-D network. Employing a combination of graph theory, linear algebra, and geometry, the model explicitly relates a microstructural network's topology and the morphology of its channels to an effective material transport coefficient (a general term meant to encompass, e.g., conductivity or diffusion coefficient). The model's transport coefficient predictions agree well with those from electrochemical fin (ECF) theory and finite element analysis (FEA), but are computed 0.5-1.5 and 5-6 orders of magnitude faster, respectively. In addition, the theory explicitly relates a number of morphological and topological parameters directly to the transport coefficient, whereby the distributions that characterize the structure are readily available for further analysis. Furthermore, ATN's explicit development provides insight into the nature of the tortuosity factor and offers the potential to apply theory from network science and to consider the optimization of a network's effective resistance in a mathematically rigorous manner. The ATN model's speed and relative ease-of-use offer the potential to aid in accelerating the design (with respect to transport), and thus reducing the cost, of energy materials.

  10. Mapping the neuropsychological profile of temporal lobe epilepsy using cognitive network topology and graph theory.

    Science.gov (United States)

    Kellermann, Tanja S; Bonilha, Leonardo; Eskandari, Ramin; Garcia-Ramos, Camille; Lin, Jack J; Hermann, Bruce P

    2016-10-01

    Normal cognitive function is defined by harmonious interaction among multiple neuropsychological domains. Epilepsy has a disruptive effect on cognition, but how diverse cognitive abilities differentially interact with one another compared with healthy controls (HC) is unclear. This study used graph theory to analyze the community structure of cognitive networks in adults with temporal lobe epilepsy (TLE) compared with that in HC. Neuropsychological assessment was performed in 100 patients with TLE and 82 HC. For each group, an adjacency matrix was constructed representing pair-wise correlation coefficients between raw scores obtained in each possible test combination. For each cognitive network, each node corresponded to a cognitive test; each link corresponded to the correlation coefficient between tests. Global network structure, community structure, and node-wise graph theory properties were qualitatively assessed. The community structure in patients with TLE was composed of fewer, larger, more mixed modules, characterizing three main modules representing close relationships between the following: 1) aspects of executive function (EF), verbal and visual memory, 2) speed and fluency, and 3) speed, EF, perception, language, intelligence, and nonverbal memory. Conversely, controls exhibited a relative division between cognitive functions, segregating into more numerous, smaller modules consisting of the following: 1) verbal memory, 2) language, perception, and intelligence, 3) speed and fluency, and 4) visual memory and EF. Overall node-wise clustering coefficient and efficiency were increased in TLE. Adults with TLE demonstrate a less clear and poorly structured segregation between multiple cognitive domains. This panorama suggests a higher degree of interdependency across multiple cognitive domains in TLE, possibly indicating compensatory mechanisms to overcome functional impairments. Copyright © 2016 Elsevier Inc. All rights reserved.

  11. Non-perturbation theory of electronic dynamic conductivity for two-barrier resonance tunnel nano-structure

    Directory of Open Access Journals (Sweden)

    O.M. Voitsekhivska

    2011-12-01

    Full Text Available The non-perturbation theory of electronic dynamic conductivity for open two-barrier resonance tunnel structure is established for the first time within the model of rectangular potentials and different effective masses of electrons in the elements of nano-structure and the wave function linear over the intensity of electromagnetic field. It is proven that the results of the theory of dynamic conductivity, developed earlier in weak signal approximation within the perturbation method, qualitatively and quantitatively correlate with the obtained results. The advantage of non-perturbation theory is that it can be extended to the case of electronic currents interacting with strong electromagnetic fields in open multi-shell resonance tunnel nano-structures, as active elements of quantum cascade lasers and detectors.

  12. Effect of Electron Energy Distribution on the Hysteresis of Plasma Discharge: Theory, Experiment, and Modeling

    Science.gov (United States)

    Lee, Hyo-Chang; Chung, Chin-Wook

    2016-09-01

    Hysteresis, which is the history dependence of physical systems, indicates that there are more-than-two stable points in a given condition, and it has been considered to one of the most important topics in fundamental physics. Recently, the hysteresis of plasma has become a focus of research because stable plasma operation is very important for fusion reactors, bio-medical plasmas, and industrial plasmas for nano-device fabrication process. Interestingly, the bi-stability characteristics of plasma with a huge hysteresis loop have been observed in inductive discharge plasmas Because hysteresis study in such plasmas can provide a universal understanding of plasma physics, many researchers have attempted experimental and theoretical studies. Despite long plasma research, how this plasma hysteresis occurs remains an unresolved question in plasma physics. Here, we report theory, experiment, and modeling of the hysteresis. It was found experimentally and theoretically that evolution of the electron energy distribution (EED) makes a strong plasma hysteresis. In Ramsauer and non-Ramsauer gas experiments, it was revealed that the plasma hysteresis is observed only at high pressure Ramsauer gas where the EED deviates considerably from a Maxwellian shape. This hysteresis was presented in the plasma balance model where the EED is considered. Because electrons in plasmas are usually not in a thermal equilibrium, this EED-effect can be regarded as a universal phenomenon in plasma physics. This research was partially supported by Korea Research Institute of Standard and Science.

  13. Percolation Theory in Solid Oxide Fuel Cell Composite Electrodes with a Mixed Electronic and Ionic Conductor

    Directory of Open Access Journals (Sweden)

    Meng Ni

    2013-03-01

    Full Text Available Percolation theory is generalized to predict the effective properties of specific solid oxide fuel cell composite electrodes, which consist of a pure ion conducting material (e.g., YSZ or GDC and a mixed electron and ion conducting material (e.g., LSCF, LSCM or CeO2. The investigated properties include the probabilities of an LSCF particle belonging to the electron and ion conducting paths, percolated three-phase-boundary electrochemical reaction sites, which are based on different assumptions, the exposed LSCF surface electrochemical reaction sites and the revised expressions for the inter-particle ionic conductivities among LSCF and YSZ materials. The effects of the microstructure parameters, such as the volume fraction of the LSCF material, the particle size distributions of both the LSCF and YSZ materials (i.e., the mean particle radii and the non-dimensional standard deviations, which represent the particle size distributions and the porosity are studied. Finally, all of the calculated results are presented in non-dimensional forms to provide generality for practical application. Based on these results, the relevant properties can be easily evaluated, and the microstructure parameters and intrinsic properties of each material are specified.

  14. A density functional theory investigation of the electronic structure and spin moments of magnetite

    KAUST Repository

    Noh, Junghyun

    2014-08-01

    We present the results of density functional theory (DFT) calculations on magnetite, Fe3O4, which has been recently considered as electrode in the emerging field of organic spintronics. Given the nature of the potential applications, we evaluated the magnetite room-temperature cubic phase in terms of structural, electronic, and magnetic properties. We considered GGA (PBE), GGA + U (PBE + U), and range-separated hybrid (HSE06 and HSE(15%)) functionals. Calculations using HSE06 and HSE(15%) functionals underline the impact that inclusion of exact exchange has on the electronic structure. While the modulation of the band gap with exact exchange has been seen in numerous situations, the dramatic change in the valence band nature and states near the Fermi level has major implications for even a qualitative interpretation of the DFT results. We find that HSE06 leads to highly localized states below the Fermi level while HSE(15%) and PBE + U result in delocalized states around the Fermi level. The significant differences in local magnetic moments and atomic charges indicate that describing room-temperature bulk materials, surfaces and interfaces may require different functionals than their low-temperature counterparts.

  15. Electronic structures of one-dimensional poly-fused selenophene radical cations: density functional theory study

    Directory of Open Access Journals (Sweden)

    Hiroshi Kawabata et al

    2008-01-01

    Full Text Available Hybrid density functional theory (DFT calculations have been carried out for neutral and radical cation species of a fused selenophene oligomer, denoted by Se(n, where n represents the number of selenophene rings in the oligomer, to elucidate the electronic structures at ground and low-lying excited states. A polymer of fused selenophene was also investigated using one-dimensional periodic boundary conditions (PBC for comparison. It was found that the reorganization energy of a radical cation of Se(n from a vertical hole trapping point to its relaxed structure is significantly small. Also, the reorganization energy decreased gradually with increasing n, indicating that Se(n has an effective intramolecular hole transport property. It was found that the radical cation species of Se(n has a low-energy band in the near-IR region, which is strongly correlated to hole conductivity. The relationship between the electronic states and intramolecular hole conductivity was discussed on the basis of theoretical calculations.

  16. Dynamical mean-field theory and path integral renormalisation group calculations of strongly correlated electronic states

    Energy Technology Data Exchange (ETDEWEB)

    Heilmann, D.B.

    2007-02-15

    The two-plane HUBBARD model, which is a model for some electronic properties of undoped YBCO superconductors as well as displays a MOTT metal-to-insulator transition and a metal-to-band insulator transition, is studied within Dynamical Mean-Field Theory using HIRSCH-FYE Monte Carlo. In order to find the different transitions and distinguish the types of insulator, we calculate the single-particle spectral densities, the self-energies and the optical conductivities. We conclude that there is a continuous transition from MOTT to band insulator. In the second part, ground state properties of a diagonally disordered HUBBARD model is studied using a generalisation of Path Integral Renormalisation Group, a variational method which can also determine low-lying excitations. In particular, the distribution of antiferromagnetic properties is investigated. We conclude that antiferromagnetism breaks down in a percolation-type transition at a critical disorder, which is not changed appreciably by the inclusion of correlation effects, when compared to earlier studies. Electronic and excitation properties at the system sizes considered turn out to primarily depend on the geometry. (orig.)

  17. Stretchable Electronic Sensors of Nanocomposite Network Films for Ultrasensitive Chemical Vapor Sensing.

    Science.gov (United States)

    Yan, Hong; Zhong, Mengjuan; Lv, Ze; Wan, Pengbo

    2017-11-01

    A stretchable, transparent, and body-attachable chemical sensor is assembled from the stretchable nanocomposite network film for ultrasensitive chemical vapor sensing. The stretchable nanocomposite network film is fabricated by in situ preparation of polyaniline/MoS2 (PANI/MoS2 ) nanocomposite in MoS2 suspension and simultaneously nanocomposite deposition onto prestrain elastomeric polydimethylsiloxane substrate. The assembled stretchable electronic sensor demonstrates ultrasensitive sensing performance as low as 50 ppb, robust sensing stability, and reliable stretchability for high-performance chemical vapor sensing. The ultrasensitive sensing performance of the stretchable electronic sensors could be ascribed to the synergistic sensing advantages of MoS2 and PANI, higher specific surface area, the reliable sensing channels of interconnected network, and the effectively exposed sensing materials. It is expected to hold great promise for assembling various flexible stretchable chemical vapor sensors with ultrasensitive sensing performance, superior sensing stability, reliable stretchability, and robust portability to be potentially integrated into wearable electronics for real-time monitoring of environment safety and human healthcare. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Parametric sensitivity analysis for biochemical reaction networks based on pathwise information theory.

    Science.gov (United States)

    Pantazis, Yannis; Katsoulakis, Markos A; Vlachos, Dionisios G

    2013-10-22

    Stochastic modeling and simulation provide powerful predictive methods for the intrinsic understanding of fundamental mechanisms in complex biochemical networks. Typically, such mathematical models involve networks of coupled jump stochastic processes with a large number of parameters that need to be suitably calibrated against experimental data. In this direction, the parameter sensitivity analysis of reaction networks is an essential mathematical and computational tool, yielding information regarding the robustness and the identifiability of model parameters. However, existing sensitivity analysis approaches such as variants of the finite difference method can have an overwhelming computational cost in models with a high-dimensional parameter space. We develop a sensitivity analysis methodology suitable for complex stochastic reaction networks with a large number of parameters. The proposed approach is based on Information Theory methods and relies on the quantification of information loss due to parameter perturbations between time-series distributions. For this reason, we need to work on path-space, i.e., the set consisting of all stochastic trajectories, hence the proposed approach is referred to as "pathwise". The pathwise sensitivity analysis method is realized by employing the rigorously-derived Relative Entropy Rate, which is directly computable from the propensity functions. A key aspect of the method is that an associated pathwise Fisher Information Matrix (FIM) is defined, which in turn constitutes a gradient-free approach to quantifying parameter sensitivities. The structure of the FIM turns out to be block-diagonal, revealing hidden parameter dependencies and sensitivities in reaction networks. As a gradient-free method, the proposed sensitivity analysis provides a significant advantage when dealing with complex stochastic systems with a large number of parameters. In addition, the knowledge of the structure of the FIM can allow to efficiently address

  19. Connectivity in a Karst System Using Electrical Resistivity Tomography and Network Theory.

    Science.gov (United States)

    Gómez-Nicolás, Mariana; Rebolledo-Vieyra, Mario; Canto-Lugo, Efrain; Huerta-Quintanilla, Rodrigo; Ochoa-Sandoval, Pablo

    2017-11-29

    The Ring of Cenotes (RC) is an alignment of numerous cenotes (sinkholes) in a semicircular form (with a radius of 100 km) located in northwestern Yucatán, México. The formation roughly coincides with a concentric ring that corresponds to a buried structure, which has been identified as the product of a meteor impact, known as the Chicxulub crater. Secondary permeability generated by the fracturing and faulting of the sedimentary sequence in the Chicxulub crater has favored the karstification process and therefore the development of underground rivers that transport water from the mainland to the sea. This study implements the network theory to study the hydrological connectivity between a group of 11 cenotes within the RC. Eight electrical resistivity tomography transects were used as an empirical basis. Each transect was acquired directly in the field using the SuperSting R1/IP equipment with a dipole-dipole configuration. An adapted version of the reliability algorithm for communication networks was used as a theoretical model. We found evidence of the existence of water cavities in the study area. We made a network from the data and assigned connection probabilities among cenotes as a function of the separation length and the number of water cavities, as well as their size. © 2017, National Ground Water Association.

  20. A new measure based on degree distribution that links information theory and network graph analysis.

    Science.gov (United States)

    Hadley, Michael W; McGranaghan, Matt F; Willey, Aaron; Liew, Chun Wai; Reynolds, Elaine R

    2012-06-24

    Detailed connection maps of human and nonhuman brains are being generated with new technologies, and graph metrics have been instrumental in understanding the general organizational features of these structures. Neural networks appear to have small world properties: they have clustered regions, while maintaining integrative features such as short average pathlengths. We captured the structural characteristics of clustered networks with short average pathlengths through our own variable, System Difference (SD), which is computationally simple and calculable for larger graph systems. SD is a Jaccardian measure generated by averaging all of the differences in the connection patterns between any two nodes of a system. We calculated SD over large random samples of matrices and found that high SD matrices have a low average pathlength and a larger number of clustered structures. SD is a measure of degree distribution with high SD matrices maximizing entropic properties. Phi (Φ), an information theory metric that assesses a system's capacity to integrate information, correlated well with SD - with SD explaining over 90% of the variance in systems above 11 nodes (tested for 4 to 13 nodes). However, newer versions of Φ do not correlate well with the SD metric. The new network measure, SD, provides a link between high entropic structures and degree distributions as related to small world properties.