WorldWideScience

Sample records for interactions theories simulations

  1. Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites.

    Science.gov (United States)

    Ganesan, Venkat; Jayaraman, Arthi

    2014-01-07

    Polymer nanocomposites are a class of materials that consist of a polymer matrix filled with inorganic/organic nanoscale additives that enhance the inherent macroscopic (mechanical, optical and electronic) properties of the polymer matrix. Over the past few decades such materials have received tremendous attention from experimentalists, theoreticians, and computational scientists. These studies have revealed that the macroscopic properties of polymer nanocomposites depend strongly on the (microscopic) morphology of the constituent nanoscale additives in the polymer matrix. As a consequence, intense research efforts have been directed to understand the relationships between interactions, morphology, and the phase behavior of polymer nanocomposites. Theory and simulations have proven to be useful tools in this regard due to their ability to link molecular level features of the polymer and nanoparticle additives to the resulting morphology within the composite. In this article we review recent theory and simulation studies, presenting briefly the methodological developments underlying PRISM theories, density functional theory, self-consistent field theory approaches, and atomistic and coarse-grained molecular simulations. We first discuss the studies on polymer nanocomposites with bare or un-functionalized nanoparticles as additives, followed by a review of recent work on composites containing polymer grafted or functionalized nanoparticles as additives. We conclude each section with a brief outlook on some potential future directions.

  2. Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

    Science.gov (United States)

    Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

    2015-03-01

    Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

  3. A Monte Carlo simulation for the field theory with quartic interaction

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Sergio Mittmann dos [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio Grande do Sul (IFRS), Porto Alegre, RS (Brazil)

    2011-07-01

    Full text: In the work [1-S. M. Santos, B. E. J. Bodmann and A. T. Gomez, Um novo metodo computacional para a teoria de campos na rede: resultados preliminares, IV Escola do Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, 2002; and 2-S. M. Santos and B. E. J. Bodmann, Simulacao na rede de teorias de campos quanticos, XXVIII Congresso Nacional de Matematica Aplicada e Computacional (CNMAC), Sao Paulo, 2005], a computational method on the lattice was elaborated for the problem known as scalar field theory with quartic interaction (for instance, see: J. R. Klauder, Beyound conventional quantization, Cambridge: Cambridge University Press, 2000). This one introduced an algorithm, which allows the simulation of a given field theory and is independent of the lattice spacing, by redefining the fields and the parameters (the mass m and the coupling constant g). This kind of approach permits varying the dimension of the lattice without changing the computational complexity of the algorithm. A simulation was made using the Monte Carlo method, where the renormalized mass m{sub R}, the renormalized coupling constant g{sub R} and the two point correlation function were determined with success. In the present work, the genuine computational method is used for new simulations. Now, the Monte Carlo method is not used just for the simulation of the algorithm, like in [1, 2], but also for defining the adjust parameters (the mass and the coupling constant), introduced ad hoc in [1, 2]. This work presents the first simulations' outcomes, where best results that [1, 2] were determined, for the renormalized mass and the renormalized coupling constant. (author)

  4. Modelling of ballistic low energy ion solid interaction - conventional analytic theories versus computer simulations

    International Nuclear Information System (INIS)

    Littmark, U.

    1994-01-01

    The ''philosophy'' behind, and the ''psychology'' of the development from analytic theory to computer simulations in the field of atomic collisions in solids is discussed and a few examples of achievements and perspectives are given. (orig.)

  5. Plasma theory and simulation research

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1989-01-01

    Our research group uses both theory and simulation as tools in order to increase the understanding of instabilities, heating, diffusion, transport and other phenomena in plasmas. We also work on the improvement of simulation, both theoretically and practically. Our focus has been more and more on the plasma edge (the ''sheath''), interactions with boundaries, leading to simulations of whole devices (someday a numerical tokamak)

  6. Theory of particle interactions

    International Nuclear Information System (INIS)

    Belokurov, V.V.; Shirkov, D.V.

    1986-01-01

    Development and modern state of the theory of elementary particle interactions is described. The main aim of the paper is to give a picture of quantum field theory development in the form easily available for physicists not occupied in this field of science. Besides the outline of chronological development of main representations, the description of renormalization and renorm-groups, gauge theories, models of electro-weak interactions and quantum chromodynamics, the latest investigations related to joining all interactions and supersymmetries is given

  7. Testing strong interaction theories

    International Nuclear Information System (INIS)

    Ellis, J.

    1979-01-01

    The author discusses possible tests of the current theories of the strong interaction, in particular, quantum chromodynamics. High energy e + e - interactions should provide an excellent means of studying the strong force. (W.D.L.)

  8. Statistical thermodynamics of aligned rigid rods with attractive lateral interactions: Theory and Monte Carlo simulations

    Science.gov (United States)

    dos Santos, G. J.; Linares, D. H.; Ramirez-Pastor, A. J.

    2018-04-01

    The phase behaviour of aligned rigid rods of length k (k-mers) adsorbed on two-dimensional square lattices has been studied by Monte Carlo (MC) simulations and histogram reweighting technique. The k-mers, containing k identical units (each one occupying a lattice site) were deposited along one of the directions of the lattice. In addition, attractive lateral interactions were considered. The methodology was applied, particularly, to the study of the critical point of the condensation transition occurring in the system. The process was monitored by following the fourth order Binder cumulant as a function of temperature for different lattice sizes. The results, obtained for k ranging from 2 to 7, show that: (i) the transition coverage exhibits a decreasing behaviour when it is plotted as a function of the k-mer size and (ii) the transition temperature, Tc, exhibits a power law dependence on k, Tc ∼k 0 , 4, shifting to higher values as k increases. Comparisons with an analytical model based on a generalization of the Bragg-Williams approximation (BWA) were performed in order to support the simulation technique. A significant qualitative agreement was obtained between BWA and MC results.

  9. Direction: unified theory of interactions

    International Nuclear Information System (INIS)

    Valko, P.

    1987-01-01

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

  10. Theory of fundamental interactions

    International Nuclear Information System (INIS)

    Pestov, A.B.

    1992-01-01

    In the present article the theory of fundamental interactions is derived in a systematic way from the first principles. In the developed theory there is no separation between space-time and internal gauge space. Main equations for basic fields are derived. In is shown that the theory satisfies the correspondence principle and gives rise to new notions in the considered region. In particular, the conclusion is made about the existence of particles which are characterized not only by the mass, spin, charge but also by the moment of inertia. These are rotating particles, the particles which represent the notion of the rigid body on the microscopical level and give the key for understanding strong interactions. The main concepts and dynamical laws for these particles are formulated. The basic principles of the theory may be examined experimentally not in the distant future. 29 refs

  11. Theory of gravitational interactions

    CERN Document Server

    Gasperini, Maurizio

    2017-01-01

    This is the second edition of a well-received book that is a modern, self-contained introduction to the theory of gravitational interactions. The new edition includes more details on gravitational waves of cosmological origin, the so-called brane world scenario, and gravitational time-delay effects. The first part of the book follows the traditional presentation of general relativity as a geometric theory of the macroscopic gravitational field, while the second, more advanced part discusses the deep analogies (and differences) between a geometric theory of gravity and the “gauge” theories of the other fundamental interactions. This fills a gap within the traditional approach to general relativity which usually leaves students puzzled about the role of gravity. The required notions of differential geometry are reduced to the minimum, allowing room for aspects of gravitational physics of current phenomenological and theoretical interest, such as the properties of gravitational waves, the gravitational inter...

  12. Impact simulation of liquid-filled containers including fluid-structure interaction--Part 1: Theory

    International Nuclear Information System (INIS)

    Sauve, R.G.; Morandin, G.D.; Nadeau, E.

    1993-01-01

    In a number of applications, the hydrodynamic effect of a fluid must be included in the structural evaluation of liquid-filled vessels undergoing transient loading. Prime examples are liquid radioactive waste transportation packages. These packages must demonstrate the ability to withstand severe accidental impact scenarios. A hydrodynamic model of the fluid is developed using a finite element discretization of the momentum equations for a three-dimensional continuum. An inviscid fluid model with an isotropic stress state is considered. A barotropic equation of state, relating volumetric strain to pressure, is used to characterize the fluid behavior. The formulation considers the continuum as a compressible medium only, so that no tension fields are permitted. The numerical technique is incorporated into the existing general-purpose three-dimensional structural computer code H3DMAP. Part 1 of the paper describes the theory and implementation along with comparisons with classical theory. Part 2 describes the experimental validations of the theoretical approach. Excellent correlation between predicted and experimental results is obtained

  13. Proton spectra from ultraintense laser-plasma interaction with thin foils: Experiments, theory, and simulation

    International Nuclear Information System (INIS)

    Allen, M.; Sentoku, Y.; Audebert, P.; Fuchs, J.; Gauthier, J.C.; Blazevic, A.; Geissel, M.; Roth, M.; Cowan, T.; Hegelich, M.; Karsch, S.; Morse, E.; Patel, P.K.

    2003-01-01

    A beam of high energy ions and protons is observed from targets irradiated with intensities up to 5x10 19 W/cm 2 . Maximum proton energy is shown to strongly correlate with laser-irradiance on target. Energy spectra from a magnetic spectrometer show a plateau region near the maximum energy cutoff and modulations in the spectrum at approximately 65% of the cutoff energy. Presented two-dimensional particle-in-cell simulations suggest that modulations in the proton spectrum are caused by the presence of multiple heavy-ion species in the expanding plasma

  14. To theory of gravitational interaction

    OpenAIRE

    Minkevich, A. V.

    2008-01-01

    Some principal problems of general relativity theory and attempts of their solution are discussed. The Poincare gauge theory of gravity as natural generalization of Einsteinian gravitation theory is considered. The changes of gravitational interaction in the frame of this theory leading to the solution of principal problems of general relativity theory are analyzed.

  15. Interactive Foresight Simulation

    DEFF Research Database (Denmark)

    Hansen, Mette Sanne; Rasmussen, Lauge Baungaard; Jacobsen, Peter

    2016-01-01

    The Combined Simulation Approach (CSA) is a way to evaluate risks and address potential unforeseen problems in a more interactive way than what is often observed in practice in companies or sectors. The approach is based on a combination of scenario analysis and discrete-event computer simulation...

  16. Intelligently interactive combat simulation

    Science.gov (United States)

    Fogel, Lawrence J.; Porto, Vincent W.; Alexander, Steven M.

    2001-09-01

    To be fully effective, combat simulation must include an intelligently interactive enemy... one that can be calibrated. But human operated combat simulations are uncalibratable, for we learn during the engagement, there's no average enemy, and we cannot replicate their culture/personality. Rule-based combat simulations (expert systems) are not interactive. They do not take advantage of unexpected mistakes, learn, innovate, and reflect the changing mission/situation. And it is presumed that the enemy does not have a copy of the rules, that the available experts are good enough, that they know why they did what they did, that their combat experience provides a sufficient sample and that we know how to combine the rules offered by differing experts. Indeed, expert systems become increasingly complex, costly to develop, and brittle. They have face validity but may be misleading. In contrast, intelligently interactive combat simulation is purpose- driven. Each player is given a well-defined mission, reference to the available weapons/platforms, their dynamics, and the sensed environment. Optimal tactics are discovered online and in real-time by simulating phenotypic evolution in fast time. The initial behaviors are generated randomly or include hints. The process then learns without instruction. The Valuated State Space Approach provides a convenient way to represent any purpose/mission. Evolutionary programming searches the domain of possible tactics in a highly efficient manner. Coupled together, these provide a basis for cruise missile mission planning, and for driving tank warfare simulation. This approach is now being explored to benefit Air Force simulations by a shell that can enhance the original simulation.

  17. The theory of particle interactions

    International Nuclear Information System (INIS)

    Belokurov, V.V.; Shirkov, D.V.

    1991-01-01

    The Theory of Particle Interactions introduces students and physicists to the chronological development, concepts, main methods, and results of modern quantum field theory -- the most fundamental, abstract, and mathematical branch of theoretical physics. Belokurov and Shirkov, two prominent Soviet theoretical physicists, carefully describe the many facets of modern quantum theory including: renormalization theory and renormalization group; gauge theories and spontaneous symmetry breaking; the electroweak interaction theory and quantum chromodynamics; the schemes of the unification of the fundamental interactions; and super-symmetry and super-strings. The authors use a minimum of mathematical concepts and equations in describing the historical development, the current status, and the role of quantum field theory in modern theoretical physics. Because readers will be able to comprehend the main concepts of modern quantum theory without having to master its rather difficult apparatus, The Theory of Particle Interactions is ideal for those who seek a conceptual understanding of the subject. Students, physicists, mathematicians, and theoreticians involved in astrophysics, cosmology, and nuclear physics, as well as those interested in the philosophy and history of natural sciences will find The Theory of Particle Interactions invaluable and an important addition to their reading list

  18. Scalar strong interaction hadron theory

    CERN Document Server

    Hoh, Fang Chao

    2015-01-01

    The scalar strong interaction hadron theory, SSI, is a first principles' and nonlocal theory at quantum mechanical level that provides an alternative to low energy QCD and Higgs related part of the standard model. The quark-quark interaction is scalar rather than color-vectorial. A set of equations of motion for mesons and another set for baryons have been constructed. This book provides an account of the present state of a theory supposedly still at its early stage of development. This work will facilitate researchers interested in entering into this field and serve as a basis for possible future development of this theory.

  19. Unified theory of effective interaction

    Energy Technology Data Exchange (ETDEWEB)

    Takayanagi, Kazuo, E-mail: k-takaya@sophia.ac.jp

    2016-09-15

    We present a unified description of effective interaction theories in both algebraic and graphic representations. In our previous work, we have presented the Rayleigh–Schrödinger and Bloch perturbation theories in a unified fashion by introducing the main frame expansion of the effective interaction. In this work, we start also from the main frame expansion, and present various nonperturbative theories in a coherent manner, which include generalizations of the Brandow, Brillouin–Wigner, and Bloch–Horowitz theories on the formal side, and the extended Krenciglowa–Kuo and the extended Lee–Suzuki methods on the practical side. We thus establish a coherent and comprehensive description of both perturbative and nonperturbative theories on the basis of the main frame expansion.

  20. Interactive Dynamic-System Simulation

    CERN Document Server

    Korn, Granino A

    2010-01-01

    Showing you how to use personal computers for modeling and simulation, Interactive Dynamic-System Simulation, Second Edition provides a practical tutorial on interactive dynamic-system modeling and simulation. It discusses how to effectively simulate dynamical systems, such as aerospace vehicles, power plants, chemical processes, control systems, and physiological systems. Written by a pioneer in simulation, the book introduces dynamic-system models and explains how software for solving differential equations works. After demonstrating real simulation programs with simple examples, the author

  1. Diatomic interaction potential theory applications

    CERN Document Server

    Goodisman, Jerry

    2013-01-01

    Diatomic Interaction Potential Theory, Volume 2: Applications discusses the variety of applicable theoretical material and approaches in the calculations for diatomic systems in their ground states. The volume covers the descriptions and illustrations of modern calculations. Chapter I discusses the calculation of the interaction potential for large and small values of the internuclear distance R (separated and united atom limits). Chapter II covers the methods used for intermediate values of R, which in principle means any values of R. The Hartree-Fock and configuration interaction schemes des

  2. Preparation of Curcumin-Piperazine Coamorphous Phase and Fluorescence Spectroscopic and Density Functional Theory Simulation Studies on the Interaction with Bovine Serum Albumin.

    Science.gov (United States)

    Pang, Wenzhe; Lv, Jie; Du, Shuang; Wang, Jiaojiao; Wang, Jing; Zeng, Yanli

    2017-09-05

    In the present study, a new coamorphous phase (CAP) of bioactive herbal ingredient curcumin (CUR) with high solubilitythe was screened with pharmaceutically acceptable coformers. Besides, to provide basic information for the best practice of physiological and pharmaceutical preparations of CUR-based CAP, the interaction between CUR-based CAP and bovine serum albumin (BSA) was studied at the molecular level in this paper. CAP of CUR and piperazine with molar ratio of 1:2 was prepared by EtOH-assisted grinding. The as-prepared CAP was characterized by powder X-ray diffraction, modulated temperature differential scanning calorimetry, thermogravimetric analysis, Fourier-transform infrared, and solid-state 13 C nuclear magnetic resonance. The 1:2 CAP stoichioimetry was sustained by C═O···H hydrogen bonds between the N-H group of the piperazine and the C═O group of CUR; piperazine stabilized the diketo structure of CUR in CAP. The dissolution rate of CUR-piperazine CAP in 30% ethanol-water was faster than that of CUR; the t 50 values were 243.1 min for CUR and 4.378 min for CAP. Furthermore, interactions of CUR and CUR-piperazine CAP with BSA were investigated by fluorescence spectroscopy and density functional theory (DFT) calculation. The binding constants (K b ) of CUR and CUR-piperazine CAP with BSA were 10.0 and 9.1 × 10 3 L mol -1 at 298 K, respectively. Moreover, DFT simulation indicated that the interaction energy values of hydrogen-bonded interaction in the tryptophan-CUR and tryptophan-CUR-piperazine complex were -26.1 and -17.9 kJ mol -1 , respectively. In a conclusion, after formation of CUR-piperazine CAP, the interaction forces between CUR and BSA became weaker.

  3. Game theory and experimental games the study of strategic interaction

    CERN Document Server

    Colman, Andrew M

    1982-01-01

    Game Theory and Experimental Games: The Study of Strategic Interaction is a critical survey of the essential ideas of game theory and the findings of empirical research on strategic interaction. Some experiments using lifelike simulations of familiar kinds of strategic interactions are presented, and applications of game theory to the study of voting, the theory of evolution, and moral philosophy are discussed.Comprised of 13 chapters, this volume begins with an informal definition of game theory and an outline of the types of social situations to which it applies. Games of skill, games of cha

  4. Weak interactions and gauge theories

    International Nuclear Information System (INIS)

    Gaillard, M.K.

    1979-12-01

    The status of the electroweak gauge theory, also known as quantum asthenodynamics (QAD), is examined. The major result is that the standard WS-GIM model describes the data well, although one should still look for signs of further complexity and better tests of its gauge theory aspect. A second important result is that the measured values of the three basic coupling constants of present-energy physics, g/sub s/, g, and √(5/3)g' of SU(3)/sub c/ x SU(2) 2 x U(1), are compatible with the idea that these interactions are unified at high energies. Much of the paper deals with open questions, and it takes up the following topics: the status of QAD, the scalar meson spectrum, the fermion spectrum, CP violation, and decay dynamics. 118 references, 20 figures

  5. Stochastic models: theory and simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Field, Richard V., Jr.

    2008-03-01

    Many problems in applied science and engineering involve physical phenomena that behave randomly in time and/or space. Examples are diverse and include turbulent flow over an aircraft wing, Earth climatology, material microstructure, and the financial markets. Mathematical models for these random phenomena are referred to as stochastic processes and/or random fields, and Monte Carlo simulation is the only general-purpose tool for solving problems of this type. The use of Monte Carlo simulation requires methods and algorithms to generate samples of the appropriate stochastic model; these samples then become inputs and/or boundary conditions to established deterministic simulation codes. While numerous algorithms and tools currently exist to generate samples of simple random variables and vectors, no cohesive simulation tool yet exists for generating samples of stochastic processes and/or random fields. There are two objectives of this report. First, we provide some theoretical background on stochastic processes and random fields that can be used to model phenomena that are random in space and/or time. Second, we provide simple algorithms that can be used to generate independent samples of general stochastic models. The theory and simulation of random variables and vectors is also reviewed for completeness.

  6. Quantum theory of acoustoelectric interaction

    DEFF Research Database (Denmark)

    Mosekilde, Erik

    1974-01-01

    term, significant in the classical-collision-dominated regime only, the dielectric response function and the acoustic gain factor for a piezoelectrically active sound wave are obtained for the quantum and semiclassical-microscopic regimes. The manner in which the theory can be extended to the collision......-dominated regime is discussed. For a collision-free electron gas, the requirements of energy and momentum conservation in individual electron-phonon interactions lead to a cutoff in the acoustoelectric coupling when the acoustic wave number exceeds the characteristic electron wave number. The broadening...

  7. Situational simulations in interactive video

    Energy Technology Data Exchange (ETDEWEB)

    Smith, L.J.

    1991-07-01

    The Westinghouse Hanford Company Advanced Training Technologies section is using situational simulations in several Interactive Video training courses. Two applications of situational simulations will be discussed. In the first, used in the Hanford General Employee Training course, the student evaluates employee's actions in simulations of possible workplace situations. In the second, used in the Criticality Safety course, students must follow well-defined procedures to complete tasks. Design and incorporation of situational simulations will be discussed. 3 refs.

  8. Situational simulations in interactive video

    International Nuclear Information System (INIS)

    Smith, L.J.

    1991-07-01

    The Westinghouse Hanford Company Advanced Training Technologies section is using situational simulations in several Interactive Video training courses. Two applications of situational simulations will be discussed. In the first, used in the Hanford General Employee Training course, the student evaluates employee's actions in simulations of possible workplace situations. In the second, used in the Criticality Safety course, students must follow well-defined procedures to complete tasks. Design and incorporation of situational simulations will be discussed. 3 refs

  9. Interaction theory of mammalian mitochondria.

    Science.gov (United States)

    Nakada, K; Inoue, K; Hayashi, J

    2001-11-09

    We generated mice with deletion mutant mtDNA by its introduction from somatic cells into mouse zygotes. Expressions of disease phenotypes are limited to tissues expressing mitochondrial dysfunction. Considering that all these mice share the same nuclear background, these observations suggest that accumulation of the mutant mtDNA and resultant expressions of mitochondrial dysfunction are responsible for expression of disease phenotypes. On the other hand, mitochondrial dysfunction and expression of clinical abnormalities were not observed until the mutant mtDNA accumulated predominantly. This protection is due to the presence of extensive and continuous interaction between exogenous mitochondria from cybrids and recipient mitochondria from embryos. Thus, we would like to propose a new hypothesis on mitochondrial biogenesis, interaction theory of mitochondria: mammalian mitochondria exchange genetic contents, and thus lost the individuality and function as a single dynamic cellular unit. Copyright 2001 Academic Press.

  10. Theory, modeling and simulation: Annual report 1993

    Energy Technology Data Exchange (ETDEWEB)

    Dunning, T.H. Jr.; Garrett, B.C.

    1994-07-01

    Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE`s research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies.

  11. Theory, modeling and simulation: Annual report 1993

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Garrett, B.C.

    1994-07-01

    Developing the knowledge base needed to address the environmental restoration issues of the US Department of Energy requires a fundamental understanding of molecules and their interactions in insolation and in liquids, on surfaces, and at interfaces. To meet these needs, the PNL has established the Environmental and Molecular Sciences Laboratory (EMSL) and will soon begin construction of a new, collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation program (TMS), which is one of seven research directorates in the EMSL, will play a critical role in understanding molecular processes important in restoring DOE's research, development and production sites, including understanding the migration and reactions of contaminants in soils and groundwater, the development of separation process for isolation of pollutants, the development of improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TMS program are to apply available techniques to study fundamental molecular processes involved in natural and contaminated systems; to extend current techniques to treat molecular systems of future importance and to develop techniques for addressing problems that are computationally intractable at present; to apply molecular modeling techniques to simulate molecular processes occurring in the multispecies, multiphase systems characteristic of natural and polluted environments; and to extend current molecular modeling techniques to treat complex molecular systems and to improve the reliability and accuracy of such simulations. The program contains three research activities: Molecular Theory/Modeling, Solid State Theory, and Biomolecular Modeling/Simulation. Extended abstracts are presented for 89 studies

  12. Galaxy Alignments: Theory, Modelling & Simulations

    Science.gov (United States)

    Kiessling, Alina; Cacciato, Marcello; Joachimi, Benjamin; Kirk, Donnacha; Kitching, Thomas D.; Leonard, Adrienne; Mandelbaum, Rachel; Schäfer, Björn Malte; Sifón, Cristóbal; Brown, Michael L.; Rassat, Anais

    2015-11-01

    The shapes of galaxies are not randomly oriented on the sky. During the galaxy formation and evolution process, environment has a strong influence, as tidal gravitational fields in the large-scale structure tend to align nearby galaxies. Additionally, events such as galaxy mergers affect the relative alignments of both the shapes and angular momenta of galaxies throughout their history. These "intrinsic galaxy alignments" are known to exist, but are still poorly understood. This review will offer a pedagogical introduction to the current theories that describe intrinsic galaxy alignments, including the apparent difference in intrinsic alignment between early- and late-type galaxies and the latest efforts to model them analytically. It will then describe the ongoing efforts to simulate intrinsic alignments using both N-body and hydrodynamic simulations. Due to the relative youth of this field, there is still much to be done to understand intrinsic galaxy alignments and this review summarises the current state of the field, providing a solid basis for future work.

  13. Theory of interacting dislocations on cylinders.

    Science.gov (United States)

    Amir, Ariel; Paulose, Jayson; Nelson, David R

    2013-04-01

    We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

  14. Theory of interacting quantum fields

    International Nuclear Information System (INIS)

    Rebenko, Alexei L.

    2012-01-01

    This monograph is devoted to the systematic presentation of foundations of the quantum field theory. Unlike numerous monographs devoted to this topic, a wide range of problems covered in this book are accompanied by their sufficiently clear interpretations and applications. An important significant feature of this monograph is the desire of the author to present mathematical problems of the quantum field theory with regard to new methods of the constructive and Euclidean field theory that appeared in the last thirty years of the 20 th century and are based on the rigorous mathematical apparatus of functional analysis, the theory of operators, and the theory of generalized functions. The monograph is useful for students, post-graduate students, and young scientists who desire to understand not only the formality of construction of the quantum field theory but also its essence and connection with the classical mechanics, relativistic classical field theory, quantum mechanics, group theory, and the theory of path integral formalism.

  15. Theory of pairwise lesion interaction

    International Nuclear Information System (INIS)

    Harder, Dietrich; Virsik-Peuckert, Patricia; Bartels, Ernst

    1992-01-01

    A comparison between repair time constants measured both at the molecular and cellular levels has shown that the DNA double strand break is the molecular change of key importance in the causation of cellular effects such as chromosome aberrations and cell inactivation. Cell fusion experiments provided the evidence that it needs the pairwise interaction between two double strand breaks - or more exactly between the two ''repair sites'' arising from them in the course of enzymatic repair - to provide the faulty chromatin crosslink which leads to cytogenetic and cytolethal effects. These modern experiments have confirmed the classical assumption of pairwise lesion interaction (PLI) on which the models of Lea and Neary were based. It seems worthwhile to continue and complete the mathematical treatment of their proposed mechanism in order to show in quantitative terms that the well-known fractionation, protraction and linear energy transfer (LET) irradiation effects are consequences of or can at least be partly attributed to PLI. Arithmetic treatment of PLI - a second order reaction - has also the advantage of providing a prerequisite for further investigations into the stages of development of misrepair products such as chromatin crosslinks. It has been possible to formulate a completely arithmetic theory of PLI by consequently applying three biophysically permitted approximations - pure first order lesion repair kinetics, dose-independent repair time constants and low yield of the ionization/lesion conversion. The mathematical approach will be summarized here, including several formulae not elaborated at the time of previous publications. We will also study an application which sheds light on the chain of events involved in PLI. (author)

  16. Interactive Simulations of Biohybrid Systems

    Directory of Open Access Journals (Sweden)

    Sebastian Albrecht von Mammen

    2017-10-01

    Full Text Available In this article, we present approaches to interactive simulations of biohybrid systems. These simulations are comprised of two major computational components: (1 agent-based developmental models that retrace organismal growth and unfolding of technical scaffoldings and (2 interfaces to explore these models interactively. Simulations of biohybrid systems allow us to fast forward and experience their evolution over time based on our design decisions involving the choice, configuration and initial states of the deployed biological and robotic actors as well as their interplay with the environment. We briefly introduce the concept of swarm grammars, an agent-based extension of L-systems for retracing growth processes and structural artifacts. Next, we review an early augmented reality prototype for designing and projecting biohybrid system simulations into real space. In addition to models that retrace plant behaviors, we specify swarm grammar agents to braid structures in a self-organizing manner. Based on this model, both robotic and plant-driven braiding processes can be experienced and explored in virtual worlds. We present an according user interface for use in virtual reality. As we present interactive models concerning rather diverse description levels, we only ensured their principal capacity for interaction but did not consider efficiency analyzes beyond prototypic operation. We conclude this article with an outlook on future works on melding reality and virtuality to drive the design and deployment of biohybrid systems.

  17. Capstone Renaissance = Simulation + Interaction + DSS.

    Science.gov (United States)

    Jauch, Lawrence R.; And Others

    1989-01-01

    Reviews the development of integrated business policy and strategic management courses, or capstone courses, in business school curricula. A simulation game is described that incorporates the need for computer literacy, decision support systems (DSS), and interaction to effectively meet the needs for a capstone course. (14 references) (LRW)

  18. Symmetries and Interactions in Matrix String Theory

    NARCIS (Netherlands)

    Hacquebord, F.H.

    1999-01-01

    This PhD-thesis reviews matrix string theory and recent developments therein. The emphasis is put on symmetries, interactions and scattering processes in the matrix model. We start with an introduction to matrix string theory and a review of the orbifold model that flows out of matrix string theory

  19. Intercorporeality and aida: Developing an interaction theory of social cognition.

    Science.gov (United States)

    Tanaka, Shogo

    2017-06-01

    The aim of this article is to develop an interaction theory (IT) of social cognition. The central issue in the field of social cognition has been theory of mind (ToM), and there has been debate regarding its nature as either theory-theory or as simulation theory. Insights from phenomenology have brought a second-person perspective based on embodied interactions into the debate, thereby forming a third position known as IT. In this article, I examine how IT can be further elaborated by drawing on two phenomenological notions-Merleau-Ponty's intercorporeality and Kimura's aida . Both of these notions emphasize the sensory-motor, perceptual, and non-conceptual aspects of social understanding and describe a process of interpersonal coordination in which embodied interaction gains autonomy as an emergent system. From this perspective, detailed and nuanced social understanding is made possible through the embodied skill of synchronizing with others.

  20. A theory of the strong interactions

    International Nuclear Information System (INIS)

    Gross, D.J.

    1979-01-01

    The most promising candidate for a fundamental microscopic theory of the strong interactions is a gauge theory of colored quarks-Quantum Chromodynamics (QCD). There are many excellent reasons for believing in this theory. It embodies the broken symmetries, SU(3) and chiral SU(3)xSU(3), of the strong interactions and reflects the success of (albeit crude) quark models in explaining the spectrum of the observed hadrons. The hidden quantum number of color, necessary to account for the quantum numbers of the low lying hadrons, plays a fundamental role in this theory as the SU(3) color gauge vector 'gluons' are the mediators of the strong interactions. The absence of physical quark states can be 'explained' by the hypothesis of color confinement i.e. that hadrons are permanently bound in color singlet bound states. Finally this theory is unique in being asymptotically free, thus accounting for the almost free field theory behvior of quarks observed at short distances. (Auth.)

  1. Discrete and continuous simulation theory and practice

    CERN Document Server

    Bandyopadhyay, Susmita

    2014-01-01

    When it comes to discovering glitches inherent in complex systems-be it a railway or banking, chemical production, medical, manufacturing, or inventory control system-developing a simulation of a system can identify problems with less time, effort, and disruption than it would take to employ the original. Advantageous to both academic and industrial practitioners, Discrete and Continuous Simulation: Theory and Practice offers a detailed view of simulation that is useful in several fields of study.This text concentrates on the simulation of complex systems, covering the basics in detail and exploring the diverse aspects, including continuous event simulation and optimization with simulation. It explores the connections between discrete and continuous simulation, and applies a specific focus to simulation in the supply chain and manufacturing field. It discusses the Monte Carlo simulation, which is the basic and traditional form of simulation. It addresses future trends and technologies for simulation, with par...

  2. Fermi and the Theory of Weak Interactions

    Indian Academy of Sciences (India)

    IAS Admin

    Quantum Field Theory created by Dirac and used by Fermi to describe weak ... of classical electrodynamics (from which the electric field and magnetic field can be obtained .... Universe. However, thanks to weak interactions, this can be done.

  3. Multiparton interactions. Theory and experimental findings

    Energy Technology Data Exchange (ETDEWEB)

    Diehl, Markus

    2013-06-15

    I give an introduction to multiparton interactions in proton-proton collisions, with a focus on the perturbative regime. Recent experimental results are discussed, as well as progress and open questions in theory.

  4. Lectures on interacting string field theory

    International Nuclear Information System (INIS)

    Jevicki, A.

    1986-09-01

    We give a detailed review of the current formulations of interacting string field theory. The historical development of the subject is taken beginning with the old dual resonance model theory. The light cone approach is reviewed in some detail with emphasis on conformal mapping techniques. Witten's covariant approach is presented. The main body of the lectures concentrates on developing the operator formulation of Witten's theory. 38 refs., 22 figs., 5 tabs

  5. Theory and simulation of laser plasma coupling

    International Nuclear Information System (INIS)

    Kruer, W.L.

    1979-01-01

    The theory and simulation of these coupling processes are considered. Particular emphasis is given to their nonlinear evolution. First a brief introduction to computer simulation of plasmas using particle codes is given. Then the absorption of light via the generation of plasma waves is considered, followed by a discussion of stimulated scattering of intense light. Finally these calculations are compared with experimental results

  6. Effective field theory for NN interactions

    International Nuclear Information System (INIS)

    Tran Duy Khuong; Vo Hanh Phuc

    2003-01-01

    The effective field theory of NN interactions is formulated and the power counting appropriate to this case is reviewed. It is more subtle than in most effective field theories since in the limit that the S-wave NN scattering lengths go to infinity. It is governed by nontrivial fixed point. The leading two body terms in the effective field theory for nucleon self interactions are scale invariant and invariant under Wigner SU(4) spin-isospin symmetry in this limit. Higher body terms with no derivatives (i.e. three and four body terms) are automatically invariant under Wigner symmetry. (author)

  7. A Dynamic Interactive Theory of Person Construal

    Science.gov (United States)

    Freeman, Jonathan B.; Ambady, Nalini

    2011-01-01

    A dynamic interactive theory of person construal is proposed. It assumes that the perception of other people is accomplished by a dynamical system involving continuous interaction between social categories, stereotypes, high-level cognitive states, and the low-level processing of facial, vocal, and bodily cues. This system permits lower-level…

  8. Introduction to gauge theories of electroweak interactions

    International Nuclear Information System (INIS)

    Ecker, G.

    1982-01-01

    Intended as a lecture for physicists who are not familiar with the sophisticated theoretical models in particle physics. Starting with the standard gauge model of electromagnetic, weak and strong interactions the recent developments of a unified gauge theory of electroweak interactions are shown. Shortcomings in the unitarity problem of the V-A fermi theory of charged intermediate vector bosons. Presented are the spontaneous symmetry breaking in quantum mechanics, the abelian higgs model as an example of a spontaneously broken gauge field theory, the minimal gauge group of electroweak interactions, the fermion mass generation. Further on the anomalies in quantum field theory are discussed and the radiative corrections to the vector boson masses are considered. (H.B.)

  9. Filtration theory using computer simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bergman, W.; Corey, I. [Lawrence Livermore National Lab., CA (United States)

    1997-08-01

    We have used commercially available fluid dynamics codes based on Navier-Stokes theory and the Langevin particle equation of motion to compute the particle capture efficiency and pressure drop through selected two- and three-dimensional fiber arrays. The approach we used was to first compute the air velocity vector field throughout a defined region containing the fiber matrix. The particle capture in the fiber matrix is then computed by superimposing the Langevin particle equation of motion over the flow velocity field. Using the Langevin equation combines the particle Brownian motion, inertia and interception mechanisms in a single equation. In contrast, most previous investigations treat the different capture mechanisms separately. We have computed the particle capture efficiency and the pressure drop through one, 2-D and two, 3-D fiber matrix elements. 5 refs., 11 figs.

  10. Third and fourth quarter progress report on plasma theory and simulation, July 1-December 31, 1986

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1987-01-01

    Our group uses theory and simulation as tools in order to increase the understanding of plasma instabilities, heating, transport, plasma-wall interactions, and large potentials in plasmas. We also work on the improvement of simulation both theoretically and practically

  11. Renormalization and Interaction in Quantum Field Theory

    International Nuclear Information System (INIS)

    RATSIMBARISON, H.M.

    2008-01-01

    This thesis works on renormalization in quantum field theory (QFT), in order to show the relevance of some mathematical structures as C*-algebraic and probabilistic structures. Our work begins with a study of the path integral formalism and the Kreimer-Connes approach in perturbative renormalization, which allows to situate the statistical nature of QFT and to appreciate the ultra-violet divergence problem of its partition function. This study is followed by an emphasis of the presence of convolution products in non perturbative renormalisation, through the construction of the Wilson effective action and the Legendre effective action. Thanks to these constructions and the definition of effective theories according J. Polchinski, the non perturbative renormalization shows in particular the general approach of regularization procedure. We begin the following chapter with a C*-algebraic approach of the scale dependence of physical theories by showing the existence of a hierarchy of commutative spaces of states and its compatibility with the fiber bundle formulation of classical field theory. Our Hierarchy also allows us to modelize the notion of states and particles. Finally, we develop a probabilistic construction of interacting theories starting from simple model, a Bernoulli random processes. We end with some arguments on the applicability of our construction -such as the independence between the free and interacting terms and the possibility to introduce a symmetry group wich will select the type of interactions in quantum field theory. [fr

  12. Photon-Graviton Interaction and CPH Theory

    DEFF Research Database (Denmark)

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

    2016-01-01

    , and the weak interaction by the W and Z bosons. The hypothesis is that the gravitational interaction is likewise mediated by a – yet undiscovered – elementary particle, dubbed the graviton. In the classical limit, the theory would reduce to general relativity and conform to Newton's law of gravitation......-renormalizable). Since classical general relativity and quantum mechanics are incompatible at such energies, from a theoretical point of view the present situation is not tenable. Some proposed models of quantum gravity attempt to address these issues, but these are speculative theories. Does a new definition...

  13. Dual field theory of strong interactions

    International Nuclear Information System (INIS)

    Akers, D.

    1987-01-01

    A dual field theory of strong interactions is derived from a Lagrangian of the Yang-Mills and Higgs fields. The existence of a magnetic monopole of mass 2397 MeV and Dirac charge g = (137/2)e is incorporated into the theory. Unification of the strong, weak, and electromagnetic forces is shown to converge at the mass of the intermediate vector boson W/sup +/-/. The coupling constants of the strong and weak interactions are derived in terms of the fine-structure constant α = 1/137

  14. Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory

    International Nuclear Information System (INIS)

    Abdel-Khalik, Hany S.; Turinsky, Paul J.

    2005-01-01

    Use of adaptive simulation is intended to improve the fidelity and robustness of important core attribute predictions such as core power distribution, thermal margins, and core reactivity. Adaptive simulation utilizes a selected set of past and current reactor measurements of reactor observables, i.e., in-core instrumentation readings, to adapt the simulation in a meaningful way. A meaningful adaption will result in high-fidelity and robust adapted core simulator models. To perform adaption, we propose an inverse theory approach in which the multitudes of input data to core simulators, i.e., reactor physics and thermal-hydraulic data, are to be adjusted to improve agreement with measured observables while keeping core simulator models unadapted. At first glance, devising such adaption for typical core simulators with millions of input and observables data would spawn not only several prohibitive challenges but also numerous disparaging concerns. The challenges include the computational burdens of the sensitivity-type calculations required to construct Jacobian operators for the core simulator models. Also, the computational burdens of the uncertainty-type calculations required to estimate the uncertainty information of core simulator input data present a demanding challenge. The concerns however are mainly related to the reliability of the adjusted input data. The methodologies of adaptive simulation are well established in the literature of data adjustment. We adopt the same general framework for data adjustment; however, we refrain from solving the fundamental adjustment equations in a conventional manner. We demonstrate the use of our so-called Efficient Subspace Methods (ESMs) to overcome the computational and storage burdens associated with the core adaption problem. We illustrate the successful use of ESM-based adaptive techniques for a typical boiling water reactor core simulator adaption problem

  15. Fluctuation Solution Theory Properties from Molecular Simulation

    DEFF Research Database (Denmark)

    Abildskov, Jens; Wedberg, R.; O’Connell, John P.

    2013-01-01

    The thermodynamic properties obtained in the Fluctuation Solution Theory are based on spatial integrals of molecular TCFs between component pairs in the mixture. Molecular simulation, via either MD or MC calculations, can yield these correlation functions for model inter- and intramolecular...

  16. Gauge theories of the weak interactions

    International Nuclear Information System (INIS)

    Quinn, H.

    1978-08-01

    Two lectures are presented on the Weinberg--Salam--Glashow--Iliopoulos--Maiani gauge theory for weak interactions. An attempt is made to give some impressions of the generality of this model, how it was developed, variations found in the literature, and the status of the standard model. 21 references

  17. U(1) Wilson lattice gauge theories in digital quantum simulators

    Science.gov (United States)

    Muschik, Christine; Heyl, Markus; Martinez, Esteban; Monz, Thomas; Schindler, Philipp; Vogell, Berit; Dalmonte, Marcello; Hauke, Philipp; Blatt, Rainer; Zoller, Peter

    2017-10-01

    Lattice gauge theories describe fundamental phenomena in nature, but calculating their real-time dynamics on classical computers is notoriously difficult. In a recent publication (Martinez et al 2016 Nature 534 516), we proposed and experimentally demonstrated a digital quantum simulation of the paradigmatic Schwinger model, a U(1)-Wilson lattice gauge theory describing the interplay between fermionic matter and gauge bosons. Here, we provide a detailed theoretical analysis of the performance and the potential of this protocol. Our strategy is based on analytically integrating out the gauge bosons, which preserves exact gauge invariance but results in complicated long-range interactions between the matter fields. Trapped-ion platforms are naturally suited to implementing these interactions, allowing for an efficient quantum simulation of the model, with a number of gate operations that scales polynomially with system size. Employing numerical simulations, we illustrate that relevant phenomena can be observed in larger experimental systems, using as an example the production of particle-antiparticle pairs after a quantum quench. We investigate theoretically the robustness of the scheme towards generic error sources, and show that near-future experiments can reach regimes where finite-size effects are insignificant. We also discuss the challenges in quantum simulating the continuum limit of the theory. Using our scheme, fundamental phenomena of lattice gauge theories can be probed using a broad set of experimentally accessible observables, including the entanglement entropy and the vacuum persistence amplitude.

  18. Quasiconfigurations and the theory of effective interactions

    International Nuclear Information System (INIS)

    Poves, A.; Zuker, A.

    1980-01-01

    Perturbation theory is reformulated. Schroedinger's equation is recast as a non linear integral equation which yields by Neumann expansion a linked cluster series for the degenerate, quasi degenerate or non degenerate problem. An effective interaction theory emerges that can be formulated in a biorthogonal basis leading to a non Hermitian secular problem. Hermiticity can be recovered in a clear and rigorous way. As the mathematical form of the theory is dictated by the request of physical clarity the latter is obtained naturally. When written in diagrammatic many body language, the integral equation produces a set of linked coupled equations for the degenerate case. The classic summations (Brueckner, Bethe-Faddeev and RPA) emerge naturally. Possible extensions of nuclear matter theory are suggested

  19. Theory and Simulation of Multicomponent Osmotic Systems.

    Science.gov (United States)

    Karunaweera, Sadish; Gee, Moon Bae; Weerasinghe, Samantha; Smith, Paul E

    2012-05-28

    Most cellular processes occur in systems containing a variety of components many of which are open to material exchange. However, computer simulations of biological systems are almost exclusively performed in systems closed to material exchange. In principle, the behavior of biomolecules in open and closed systems will be different. Here, we provide a rigorous framework for the analysis of experimental and simulation data concerning open and closed multicomponent systems using the Kirkwood-Buff (KB) theory of solutions. The results are illustrated using computer simulations for various concentrations of the solutes Gly, Gly(2) and Gly(3) in both open and closed systems, and in the absence or presence of NaCl as a cosolvent. In addition, KB theory is used to help rationalize the aggregation properties of the solutes. Here one observes that the picture of solute association described by the KB integrals, which are directly related to the solution thermodynamics, and that provided by more physical clustering approaches are different. It is argued that the combination of KB theory and simulation data provides a simple and powerful tool for the analysis of complex multicomponent open and closed systems.

  20. Digital Quantum Simulation of Z2 Lattice Gauge Theories with Dynamical Fermionic Matter

    Science.gov (United States)

    Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J. Ignacio

    2017-02-01

    We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2 +1 ) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z2 model in (2 +1 ) dimensions.

  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. Social cognitive theory, metacognition, and simulation learning in nursing education.

    Science.gov (United States)

    Burke, Helen; Mancuso, Lorraine

    2012-10-01

    Simulation learning encompasses simple, introductory scenarios requiring response to patients' needs during basic hygienic care and during situations demanding complex decision making. Simulation integrates principles of social cognitive theory (SCT) into an interactive approach to learning that encompasses the core principles of intentionality, forethought, self-reactiveness, and self-reflectiveness. Effective simulation requires an environment conducive to learning and introduces activities that foster symbolic coding operations and mastery of new skills; debriefing builds self-efficacy and supports self-regulation of behavior. Tailoring the level of difficulty to students' mastery level supports successful outcomes and motivation to set higher standards. Mindful selection of simulation complexity and structure matches course learning objectives and supports progressive development of metacognition. Theory-based facilitation of simulated learning optimizes efficacy of this learning method to foster maturation of cognitive processes of SCT, metacognition, and self-directedness. Examples of metacognition that are supported through mindful, theory-based implementation of simulation learning are provided. Copyright 2012, SLACK Incorporated.

  3. Simulation Methodology in Nursing Education and Adult Learning Theory

    Science.gov (United States)

    Rutherford-Hemming, Tonya

    2012-01-01

    Simulation is often used in nursing education as a teaching methodology. Simulation is rooted in adult learning theory. Three learning theories, cognitive, social, and constructivist, explain how learners gain knowledge with simulation experiences. This article takes an in-depth look at each of these three theories as each relates to simulation.…

  4. Defects and diffusion, theory & simulation II

    CERN Document Server

    Fisher, David J

    2010-01-01

    This second volume in a new series covering entirely general results in the fields of defects and diffusion includes 356 abstracts of papers which appeared between the end of 2009 and the end of 2010. As well as the abstracts, the volume includes original papers on theory/simulation, semiconductors and metals: ""Predicting Diffusion Coefficients from First Principles ..."" (Mantina, Chen & Liu), ""Gouge Assessment for Pipes ..."" (Meliani, Pluvinage & Capelle), ""Simulation of the Impact Behaviour of ... Hollow Sphere Structures"" (Ferrano, Speich, Rimkus, Merkel & Öchsner), ""Elastic-Plastic

  5. Nonlinear theory of electroelastic and magnetoelastic interactions

    CERN Document Server

    Dorfmann, Luis

    2014-01-01

    This book provides a unified theory of nonlinear electro-magnetomechanical interactions of soft materials capable of large elastic deformations. The authors include an overview of the basic principles of the classical theory of electromagnetism from the fundamental notions of point charges and magnetic dipoles through to distributions of charge and current in a non-deformable continuum, time-dependent electromagnetic fields and Maxwell’s equations. They summarize the basic ingredients of continuum mechanics that are required to account for the deformability of material and present nonlinear constitutive frameworks for electroelastic and magnetoelastic interactions in a highly deformable material. The equations contained in the book are used to formulate and solve a variety of representative boundary-value problems for both nonlinear electroelasticity and magnetoelasticity.

  6. Interaction vertices in reduced string field theories

    International Nuclear Information System (INIS)

    Embacher, F.

    1989-01-01

    In contrast to previous expectations, covariant overlap vertices are not always suitable for gauge-covariant formulations of bosonic string field theory with a reduced supplementary field content. This is demonstrated for the version of the theory suggested by Neveu, Schwarz and West. The method to construct the interaction, as formulated by Neveu and West, fails at one level higher than these authors have considered. The condition for a general vertex to describe formally a local gauge-invariant interaction is derived. The solution for the action functional and the gauge transformation law is exhibited for all fields at once, to the first order in the coupling constant. However, all these vertices seem to be unphysical. 21 refs. (Author)

  7. Simulation of random walks in field theory

    International Nuclear Information System (INIS)

    Rensburg, E.J.J. van

    1988-01-01

    The numerical simulation of random walks is considered using the Monte Carlo method previously proposed. The algorithm is tested and then generalised to generate Edwards random walks. The renormalised masses of the Edwards model are calculated and the results are compared with those obtained from a simple perturbation theory calculation for small values of the bare coupling constant. The efficiency of this algorithm is discussed and compared with an alternative approach. (author)

  8. Fluid dynamics theory, computation, and numerical simulation

    CERN Document Server

    Pozrikidis, C

    2001-01-01

    Fluid Dynamics Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes Two distinguishing features of the discourse are solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty Matlab codes are presented and discussed for a broad...

  9. Fluid Dynamics Theory, Computation, and Numerical Simulation

    CERN Document Server

    Pozrikidis, Constantine

    2009-01-01

    Fluid Dynamics: Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner. The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming. This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice. There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes. Two distinguishing features of the discourse are: solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty. Matlab codes are presented and discussed for ...

  10. Liquid/Vapor Coexistence and Surface Tension of the Sutherland Fluid with a Variable Range of Interaction: Computer Simulation and Perturbation Theory Studies

    Czech Academy of Sciences Publication Activity Database

    Melnyk, R.; Orea, P.; Nezbeda, Ivo; Trokhymchuk, A.

    2010-01-01

    Roč. 132, č. 13 (2010), 134504-1-8 ISSN 0021-9606 R&D Projects: GA AV ČR IAA400720710 Institutional research plan: CEZ:AV0Z40720504 Keywords : liquid-vapour transformations * meson field theory * monte carlo methods Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.920, year: 2010

  11. Diffusive epidemic process: theory and simulation

    International Nuclear Information System (INIS)

    Maia, Daniel Souza; Dickman, Ronald

    2007-01-01

    We study the continuous absorbing-state phase transition in the one-dimensional diffusive epidemic process via mean-field theory and Monte Carlo simulation. In this model, particles of two species (A and B) hop on a lattice and undergo reactions B → A and A+B → 2B; the total particle number is conserved. We formulate the model as a continuous-time Markov process described by a master equation. A phase transition between the (absorbing) B-free state and an active state is observed as the parameters (reaction and diffusion rates, and total particle density) are varied. Mean-field theory reveals a surprising, nonmonotonic dependence of the critical recovery rate on the diffusion rate of B particles. A computational realization of the process that is faithful to the transition rates defining the model is devised, allowing for direct comparison with theory. Using the quasi-stationary simulation method we determine the order parameter and the survival time in systems of up to 4000 sites. Due to strong finite-size effects, the results converge only for large system sizes. We find no evidence for a discontinuous transition. Our results are consistent with the existence of three distinct universality classes, depending on whether A particles diffusive more rapidly, less rapidly or at the same rate as B particles. We also perform quasi-stationary simulations of the triplet creation model, which yield results consistent with a discontinuous transition at high diffusion rates

  12. Theory and Simulations of Solar System Plasmas

    Science.gov (United States)

    Goldstein, Melvyn L.

    2011-01-01

    "Theory and simulations of solar system plasmas" aims to highlight results from microscopic to global scales, achieved by theoretical investigations and numerical simulations of the plasma dynamics in the solar system. The theoretical approach must allow evidencing the universality of the phenomena being considered, whatever the region is where their role is studied; at the Sun, in the solar corona, in the interplanetary space or in planetary magnetospheres. All possible theoretical issues concerning plasma dynamics are welcome, especially those using numerical models and simulations, since these tools are mandatory whenever analytical treatments fail, in particular when complex nonlinear phenomena are at work. Comparative studies for ongoing missions like Cassini, Cluster, Demeter, Stereo, Wind, SDO, Hinode, as well as those preparing future missions and proposals, like, e.g., MMS and Solar Orbiter, are especially encouraged.

  13. Mars Tumbleweed Simulation Using Singular Perturbation Theory

    Science.gov (United States)

    Raiszadeh, Behzad; Calhoun, Phillip

    2005-01-01

    The Mars Tumbleweed is a new surface rover concept that utilizes Martian winds as the primary source of mobility. Several designs have been proposed for the Mars Tumbleweed, all using aerodynamic drag to generate force for traveling about the surface. The Mars Tumbleweed, in its deployed configuration, must be large and lightweight to provide the ratio of drag force to rolling resistance necessary to initiate motion from the Martian surface. This paper discusses the dynamic simulation details of a candidate Tumbleweed design. The dynamic simulation model must properly evaluate and characterize the motion of the tumbleweed rover to support proper selection of system design parameters. Several factors, such as model flexibility, simulation run times, and model accuracy needed to be considered in modeling assumptions. The simulation was required to address the flexibility of the rover and its interaction with the ground, and properly evaluate its mobility. Proper assumptions needed to be made such that the simulated dynamic motion is accurate and realistic while not overly burdened by long simulation run times. This paper also shows results that provided reasonable correlation between the simulation and a drop/roll test of a tumbleweed prototype.

  14. Game theory decisions, interaction and evolution

    CERN Document Server

    Webb, James N

    2007-01-01

    This introduction to game theory is written from a mathematical perspective. Its primary purpose is to be a first course for undergraduate students of mathematics, but it also contains material which will be of interest to advanced students or researchers in biology and economics. The outstanding feature of the book is that it provides a unified account of three types of decision problem: Situations involving a single decision-maker: in which a sequence of choices is to be made in "a game against nature". This introduces the basic ideas of optimality and decision processes. Classical game theory: in which the interactions of two or more decision-makers are considered. This leads to the concept of the Nash equilibrium. Evolutionary game theory: in which the changing structure of a population of interacting decision makers is considered. This leads to the ideas of evolutionarily stable strategies and replicator dynamics. An understanding of basic calculus and probability is assumed but no prior knowledge of gam...

  15. Towards a natural theory of electroweak interactions

    Science.gov (United States)

    Dobrescu, Bogdan A.

    1998-01-01

    I study theories of electroweak symmetry breaking that may describe naturally the electromagnetic and weak interactions of the elementary particles observed so far (quarks, leptons and gauge bosons). These theories should explain why the energy scale at which the electroweak symmetry is spontaneously broken (246 GeV), called the 'electroweak scale', is seventeen orders of magnitude smaller than the 'Planck scale', which is associated with the quantum origin of gravity. I discuss first theories where the electroweak symmetry is broken by the dynamics of new strong interactions, naturally producing the hierarchy between the Planck scale and the electroweak scale. I show that in a realistic class of models of this type, the new gauge bosons needed for generating the mass of the heaviest quark have couplings which require a careful adjustment in order to be compatible with experimental data. In the case where the strong dynamics produces a composite spinless particle ('Higgs boson') whose interactions break the electroweak symmetry, I derive an upper bound of 460 GeV on the Higgs boson mass from experimental constraints on processes sensitive to new physics. I also discuss a different type of theory that explains the hierarchy of energy scales, based on a special symmetry, called supersymmetry, which requires the existence of new particles ('superpartners'). No superpartners have been seen in experiments. Therefore, if they exist, they must have masses larger than the particles known so far, implying that supersymmetry is not exact. In the simplest models, supersymmetry breaking is transmitted to the superpartners by standard gauge interactions. I show that all known models of this type are likely to be unacceptable because they do not admit a stable and phenomenologically viable ground state of the universe ('vacuum'). I then construct modified versions of these models that permit viable stable vacua. Also, I present a new model in which supersymmetry breaking is

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

    Science.gov (United States)

    Asakura, Nobuhiko; Inui, Toshio

    2016-01-01

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

  17. Lattice gauge theories and Monte Carlo simulations

    International Nuclear Information System (INIS)

    Rebbi, C.

    1981-11-01

    After some preliminary considerations, the discussion of quantum gauge theories on a Euclidean lattice takes up the definition of Euclidean quantum theory and treatment of the continuum limit; analogy is made with statistical mechanics. Perturbative methods can produce useful results for strong or weak coupling. In the attempts to investigate the properties of the systems for intermediate coupling, numerical methods known as Monte Carlo simulations have proved valuable. The bulk of this paper illustrates the basic ideas underlying the Monte Carlo numerical techniques and the major results achieved with them according to the following program: Monte Carlo simulations (general theory, practical considerations), phase structure of Abelian and non-Abelian models, the observables (coefficient of the linear term in the potential between two static sources at large separation, mass of the lowest excited state with the quantum numbers of the vacuum (the so-called glueball), the potential between two static sources at very small distance, the critical temperature at which sources become deconfined), gauge fields coupled to basonic matter (Higgs) fields, and systems with fermions

  18. The renormalized theory of beam-beam interaction

    International Nuclear Information System (INIS)

    Chin, Yong Ho.

    1988-06-01

    A new approach to calculate analytically the particle distribution in the presence of beam-beam interaction and synchrotron radiation effects for an electron-positron colliding beam storage ring is presented. The method is based on correct calculation of the Green's function which includes the full effect of the beam-beam force on the distortion of particle orbits, borrowing the renormalization technique of quantum field therory. By this way, the theory is applicable to any level of beam-beam interaction, no matter whether chaos ensues in phase space or not. This paper is devoted mostly to verificaiton of the theory by comparison with the results of computer simulations. Fairly good agreements are obtained. 5 refs., 3 figs

  19. Quasilinear theory and simulation of Buneman instability

    International Nuclear Information System (INIS)

    Pavan, J.; Yoon, P. H.; Umeda, T.

    2011-01-01

    In a recently developed nonlinear theory of Buneman instability, a simplifying assumption of self-similarity was imposed for the electron distribution function, based upon which, a set of moment kinetic equations was derived and solved together with nonlinear wave kinetic equation [P. H. Yoon and T. Umeda, Phys. Plasmas 17, 112317 (2010)]. It was found that the theoretical result compared reasonably against one-dimensional electrostatic Vlasov simulation. In spite of this success, however, the simulated distribution deviated appreciably from the assumed self-similar form during the late stages of nonlinear evolution. In order to rectify this shortcoming, in this paper, the distribution function is computed on the basis of rigorous velocity space diffusion equation. A novel theoretical scheme is developed so that both the quasilinear particle diffusion equation and the adiabatic dispersion relation can be solved for an arbitrary particle distribution function. Comparison with Vlasov simulation over relatively early quasilinear phase of the instability shows a reasonable agreement, despite the fact that quasilinear theory lacks coherent nonlinear effects as well as mode-mode coupling effects.

  20. Toward an Ontology of Simulated Social Interaction

    DEFF Research Database (Denmark)

    Seibt, Johanna

    2017-01-01

    and asymmetric modes of realizing Á, called the ‘simulatory expansion’ of interaction type Á. Simulatory expansions of social interactions can be used to map out different kinds and degrees of sociality in human-human and human-robot interaction, relative to current notions of sociality in philosophy......, anthropology, and linguistics. The classificatory framework developed (SISI) thus represents the field of possible simulated social interactions. SISI can be used to clarify which conceptual and empirical grounds we can draw on to evaluate capacities and affordances of robots for social interaction......The paper develops a general conceptual framework for the ontological classification of human-robot interaction. After arguing against fictionalist interpretations of human-robot interactions, I present five notions of simulation or partial realization, formally defined in terms of relationships...

  1. Salesperson Ethics: An Interactive Computer Simulation

    Science.gov (United States)

    Castleberry, Stephen

    2014-01-01

    A new interactive computer simulation designed to teach sales ethics is described. Simulation learner objectives include gaining a better understanding of legal issues in selling; realizing that ethical dilemmas do arise in selling; realizing the need to be honest when selling; seeing that there are conflicting demands from a salesperson's…

  2. Interatomic interactions in the effective medium theory

    International Nuclear Information System (INIS)

    Jacobsen, K.W.; Puska, M.J.

    1986-08-01

    An expression is derived for the total energy of a system of interacting atoms based on an ansatz for the total electron density of the system as a superposition of atom densities taken from calculations for the atoms embedded in a homogeneous electron gas. This leads to an expression for the interaction energy in terms of the embedding energy of the atoms in a homogeneous electron gas, and corrections accounting for instance for the d-d hybridization in the transition metals. The density of the homogeneous electron gas is chosen as the average of the density from the surrounding atoms. Due to the variational property of the total energy functional the errors in the interaction energy is second order in the deviation of the ansatz density from the true ground state values. The applicability of the approach is illustrated by calculations of the chohesive properties of some simple metals and all the 3d transition metals. The interaction energy can be expressed in a form simple enough to allow calculations for low symmetry systems and will be very well suited for simulations of time dependent and finite temperature problems. Preliminary results for the phonon dispersion relations and the surface energies and relaxations for Al are used to illustrate the versatility of the approach. The division of the total energy into a density dependent part, an electrostatic 'pair potential' part, and a hybridization part provides a very simple way of understanding a number of these phenomena. (orig.)

  3. Quasilinear theory of laser-plasma interactions

    International Nuclear Information System (INIS)

    Neil, A.J.

    1992-01-01

    The interaction of a high intensity laser beam with a plasma is generally susceptible to the filamentation instability due to nonuniformities in the laser profile. In ponderomotive filamentation high intensity spots in the beam expell plasma by pondermotive force, lowering the local density, causing even more light to be focused into the already high intensity region. The result-the beam is broken up into a filamentary structure. Several optical smoothing techniques have been proposed to eliminate this problem. In the Random Phase Plates (RPS) approach, the beam is split into a very fine scale, time-stationary interference pattern. The irregularities in this pattern are small enough that thermal diffusion is then responsible for smoothing the illumination. In the Induced Spatial Incoherence (ISI) approach the beam is broken up into a larger scale but non-time-stationary interference pattern. In this dissertation the author proposes that the photons in an ISI beam resonantly interact with the sound waves in the wake of the beam. Such a resonant interaction induces diffusion in the velocity space of the photons. The diffusion will tend to spread the distribution of photons, thus if the diffusion time is much shorter than the e-folding time of the filamentation instability, the instability will be suppressed. Using a wave-kinetic description of laser-plasma interactions the author has applied quasilinear theory to model the resonant interactions of the photons in an ISI beam with the beam's wake field. An analytic expression is derived for the transverse diffusion coefficient. The quasilinear hypothesis was tested numerically and shown to yield an underestimate of the diffusion rate. By comparing the quasilinear diffusion rate with the maximum growth rate for the ponderomotive filamentation of a uniform beam, the author derived a worst case criterion for stability against ponderomotive filamentation

  4. Simulating human behavior for national security human interactions.

    Energy Technology Data Exchange (ETDEWEB)

    Bernard, Michael Lewis; Hart, Dereck H.; Verzi, Stephen J.; Glickman, Matthew R.; Wolfenbarger, Paul R.; Xavier, Patrick Gordon

    2007-01-01

    This 3-year research and development effort focused on what we believe is a significant technical gap in existing modeling and simulation capabilities: the representation of plausible human cognition and behaviors within a dynamic, simulated environment. Specifically, the intent of the ''Simulating Human Behavior for National Security Human Interactions'' project was to demonstrate initial simulated human modeling capability that realistically represents intra- and inter-group interaction behaviors between simulated humans and human-controlled avatars as they respond to their environment. Significant process was made towards simulating human behaviors through the development of a framework that produces realistic characteristics and movement. The simulated humans were created from models designed to be psychologically plausible by being based on robust psychological research and theory. Progress was also made towards enhancing Sandia National Laboratories existing cognitive models to support culturally plausible behaviors that are important in representing group interactions. These models were implemented in the modular, interoperable, and commercially supported Umbra{reg_sign} simulation framework.

  5. Numerical simulation of ion-surface interactions

    International Nuclear Information System (INIS)

    Hou, M.

    1994-01-01

    This paper, based on examples from the author's contribution, aims to illustrate the role of ballistic simulations of the interaction between an ion beam and a surface in the characterization of surface properties. Several aspects of the ion-surface interaction have been modelled to various levels of sophistication by computer simulation. Particular emphasis is given to the ion scattering in the impact mode, in the multiple scattering regime and at grazing incidence, as well as to the Auger emission resulting from electronic excitation. Some examples are then given in order to illustrate the use of the combination between simulation and experiment to study the ion-surface interaction and surface properties. Ion-induced Auger emission, the determination of potentials and of overlay structures are discusse. The possibility to tackle dynamical surface properties by menas of a combination between molecular dynamics, ballistic simulations and ion scattering measurements in then briefly discussed. (orig.)

  6. Interactive simulation of technology management foresight

    DEFF Research Database (Denmark)

    Hansen, Mette Sanne; Rasmussen, Lauge Baungaard; Jacobsen, Peter

    2013-01-01

    of either qualitative or quantitative processes due to the complexity and uncertainty of the more or less interrelated technology tracks. Accordingly, the foresight approach must allow for interaction between the real-world system and the model builders, for example by using an interacting narrative...... is often occurring in companies. The use of CSA makes it possible for management to close the often experienced knowledge and activity gaps between the strategic, tactical and operational levels in a company. The outcome of developing and using CSA is a generic approach that enables the interaction between...... narrative simulation (scenarios) and numerical simulation. These interactive processes can take place on the strategic, tactical and operational levels of an organization and thus contribute to close the gaps that often exist between these levels. The combined foresight simulation approach is, however...

  7. Shock wave interaction with turbulence: Pseudospectral simulations

    International Nuclear Information System (INIS)

    Buckingham, A.C.

    1986-01-01

    Shock waves amplify pre-existing turbulence. Shock tube and shock wave boundary layer interaction experiments provide qualitative confirmation. However, shock pressure, temperature, and rapid transit complicate direct measurement. Computational simulations supplement the experimental data base and help isolate the mechanisms responsible. Simulations and experiments, particularly under reflected shock wave conditions, significantly influence material mixing. In these pseudospectral Navier-Stokes simulations the shock wave is treated as either a moving (tracked or fitted) domain boundary. The simulations assist development of code mix models. Shock Mach number and pre-existing turbulence intensity initially emerge as key parameters. 20 refs., 8 figs

  8. Compact toroidal plasmas: Simulations and theory

    International Nuclear Information System (INIS)

    Harned, D.S.; Hewett, D.W.; Lilliequist, C.G.

    1983-01-01

    Realistic FRC equilibria are calculated and their stability to the n=1 tilting mode is studied. Excluding kinetic effects, configurations ranging from elliptical to racetrack are unstable. Particle simulations of FRCs show that particle loss on open field lines can cause sufficient plasma rotation to drive the n=2 rotational instability. The allowed frequencies of the shear Alfven wave are calculated for use in heating of spheromaks. An expanded spheromak is introduced and its stability properties are studied. Transport calculations of CTs are described. A power balance model shows that many features of gun-generated CT plasmas can be explained by the dominance of impurity radiation. It is shown how the Taylor relaxation theory, applied to gun-generated CT plasmas, leads to the possibility of steady-state current drive. Lastly, applications of accelerated CTs are considered. (author)

  9. Simulation and theory of spontaneous TAE frequency sweeping

    International Nuclear Information System (INIS)

    Wang Ge; Berk, H.L.

    2012-01-01

    A simulation model, based on the linear tip model of Rosenbluth, Berk and Van Dam (RBV), is developed to study frequency sweeping of toroidal Alfvén eigenmodes (TAEs). The time response of the background wave in the RBV model is given by a Volterra integral equation. This model captures the properties of TAE waves both in the gap and in the continuum. The simulation shows that phase space structures form spontaneously at frequencies close to the linearly predicted frequency, due to resonant particle–wave interactions and background dissipation. The frequency sweeping signals are found to chirp towards the upper and lower continua. However, the chirping signals penetrate only the lower continuum, whereupon the frequency chirps and mode amplitude increases in synchronism to produce an explosive solution. An adiabatic theory describing the evolution of a chirping signal is developed which replicates the chirping dynamics of the simulation in the lower continuum. This theory predicts that a decaying chirping signal will terminate at the upper continuum though in the numerical simulation the hole disintegrates before the upper continuum is reached. (paper)

  10. Simulation and theory of spontaneous TAE frequency sweeping

    Science.gov (United States)

    Wang, Ge; Berk, H. L.

    2012-09-01

    A simulation model, based on the linear tip model of Rosenbluth, Berk and Van Dam (RBV), is developed to study frequency sweeping of toroidal Alfvén eigenmodes (TAEs). The time response of the background wave in the RBV model is given by a Volterra integral equation. This model captures the properties of TAE waves both in the gap and in the continuum. The simulation shows that phase space structures form spontaneously at frequencies close to the linearly predicted frequency, due to resonant particle-wave interactions and background dissipation. The frequency sweeping signals are found to chirp towards the upper and lower continua. However, the chirping signals penetrate only the lower continuum, whereupon the frequency chirps and mode amplitude increases in synchronism to produce an explosive solution. An adiabatic theory describing the evolution of a chirping signal is developed which replicates the chirping dynamics of the simulation in the lower continuum. This theory predicts that a decaying chirping signal will terminate at the upper continuum though in the numerical simulation the hole disintegrates before the upper continuum is reached.

  11. Theories and simulations of complex social systems

    CERN Document Server

    Mago, Vijay

    2014-01-01

    Research into social systems is challenging due to their complex nature. Traditional methods of analysis are often difficult to apply effectively as theories evolve over time. This can be due to a lack of appropriate data, or too much uncertainty. It can also be the result of problems which are not yet understood well enough in the general sense so that they can be classified, and an appropriate solution quickly identified. Simulation is one tool that deals well with these challenges, fits in well with the deductive process, and is useful for testing theory. This field is still relatively new, and much of the work is necessarily innovative, although it builds upon a rich and varied foundation. There are a number of existing modelling paradigms being applied to complex social systems research. Additionally, new methods and measures are being devised through the process of conducting research. We expect that readers will enjoy the collection of high quality research works from new and accomplished researchers. ...

  12. Coulomb interaction in multiple scattering theory

    International Nuclear Information System (INIS)

    Ray, L.; Hoffmann, G.W.; Thaler, R.M.

    1980-01-01

    The treatment of the Coulomb interaction in the multiple scattering theories of Kerman-McManus-Thaler and Watson is examined in detail. By neglecting virtual Coulomb excitations, the lowest order Coulomb term in the Watson optical potential is shown to be a convolution of the point Coulomb interaction with the distributed nuclear charge, while the equivalent Kerman-McManus-Thaler Coulomb potential is obtained from an averaged, single-particle Coulombic T matrix. The Kerman-McManus-Thaler Coulomb potential is expressed as the Watson Coulomb term plus additional Coulomb-nuclear and Coulomb-Coulomb cross terms, and the omission of the extra terms in usual Kerman-McManus-Thaler applications leads to negative infinite total reaction cross section predictions and incorrect pure Coulomb scattering limits. Approximations are presented which eliminate these anomalies. Using the two-potential formula, the full projectile-nucleus T matrix is separated into two terms, one resulting from the distributed nuclear charge and the other being a Coulomb distorted nuclear T matrix. It is shown that the error resulting from the omission of the Kerman-McManus-Thaler Coulomb terms is effectively removed when the pure Coulomb T matrix in Kerman-McManus-Thaler is replaced by the analogous quantity in the Watson approach. Using the various approximations, theoretical angular distributions are obtained for 800 MeV p+ 208 Pb elastic scattering and compared with experimental data

  13. Plasma confinement theory and transport simulation

    International Nuclear Information System (INIS)

    Ross, D.W.

    1989-06-01

    An overview of the program has been given in the contract proposal. The principal objectives are: to provide theoretical interpretation and computer modelling for the TEXT tokamak, and to advance the simulation studies of tokamaks generally, functioning as a National Transport Center. We also carry out equilibrium and stability studies in support of the TEXT upgrade, and work has continued on Alfven waves and MFENET software development. The focus of the program is to lay the groundwork for detailed comparison with experiment of the various transport theories to improve physics understanding and confidence in predictions of future machine behavior. This involves: to collect, in retrievable form, the data from TEXT and other tokamaks; to make the data available through easy-to-use interfaces; to develop criteria for success in fitting models to the data; to maintain the Texas transport code CHAPO and make it available to users; to collect theoretical models and implement them in the transport code; and to carry out simulation studies and evaluate fits to the data. In the following we outline the progress made in fiscal year 1989. Of special note are the proposed participation of our data base project in the ITER program, and a proposed q-profile diagnostic based on our neutral transport studies. We have emphasized collaboration with the TEXT experimentalists, making as much use as possible of the measured fluctuation spectra. 52 refs

  14. Simulations of dimensionally reduced effective theories of high temperature QCD

    CERN Document Server

    Hietanen, Ari

    Quantum chromodynamics (QCD) is the theory describing interaction between quarks and gluons. At low temperatures, quarks are confined forming hadrons, e.g. protons and neutrons. However, at extremely high temperatures the hadrons break apart and the matter transforms into plasma of individual quarks and gluons. In this theses the quark gluon plasma (QGP) phase of QCD is studied using lattice techniques in the framework of dimensionally reduced effective theories EQCD and MQCD. Two quantities are in particular interest: the pressure (or grand potential) and the quark number susceptibility. At high temperatures the pressure admits a generalised coupling constant expansion, where some coefficients are non-perturbative. We determine the first such contribution of order g^6 by performing lattice simulations in MQCD. This requires high precision lattice calculations, which we perform with different number of colors N_c to obtain N_c-dependence on the coefficient. The quark number susceptibility is studied by perf...

  15. New logistics protocols for distributed interactive simulation

    Science.gov (United States)

    Taylor, Darrin; Morrison, John; Katz, Warren; Felton, Erik; Herman, Deborah A.

    1995-06-01

    In today's environment, the transportation and maintenance of military forces is nearly as important as combat operations. Rapid deployment to regions of low-intensity conflict will become a very common training scenario for the U.S. military. Thus it is desirable to apply distributed simulation technology to train logistics personnel in their combat support roles. Currently, distributed interactive simulation (DIS) only contains rudimentary logistics protocols. This paper introduces new protocols designed to handle the logistics problem. The Newtonian protocol takes a physics-based approach to modeling interactions on the simulation network. This protocol consists of a family of protocol data units (PDUs) which are used to communicate forces in different circumstances. The protocol implements a small set of physical relations. This represents a flexible and general mechanism to describe battlefield interactions between network entities. The migratory object protocol (MOP) family addresses the transfer of control. General mechanisms provide the means to simulate resupply, repair, and maintenance of entities at any level of abstraction (individual soldier to division). It can also increase the fidelity of mine laying, enable handover of weapons for terminal guidance, allow for the distribution of aggregate-level simulation entities, provide capabilities for the simulation of personnel, etc.

  16. Renormalization of gauge theories of weak interactions

    International Nuclear Information System (INIS)

    Lee, B.W.

    1973-01-01

    The renormalizability of spontaneously broken gauge theories is discussed. A brief outline of the motivation for such an investigation is given, and the manner in which the renormalizability of such theories is proven is described. The renormalizability question of the unbroken gauge theory is considered, and the formulation of a renormalizable perturbation theory of Higgs phenomena (spontaneously broken gauge theories) is considered. (U.S.)

  17. Ray-theory approach to electrical-double-layer interactions.

    Science.gov (United States)

    Schnitzer, Ory

    2015-02-01

    A novel approach is presented for analyzing the double-layer interaction force between charged particles in electrolyte solution, in the limit where the Debye length is small compared with both interparticle separation and particle size. The method, developed here for two planar convex particles of otherwise arbitrary geometry, yields a simple asymptotic approximation limited to neither small zeta potentials nor the "close-proximity" assumption underlying Derjaguin's approximation. Starting from the nonlinear Poisson-Boltzmann formulation, boundary-layer solutions describing the thin diffuse-charge layers are asymptotically matched to a WKBJ expansion valid in the bulk, where the potential is exponentially small. The latter expansion describes the bulk potential as superposed contributions conveyed by "rays" emanating normally from the boundary layers. On a special curve generated by the centers of all circles maximally inscribed between the two particles, the bulk stress-associated with the ray contributions interacting nonlinearly-decays exponentially with distance from the center of the smallest of these circles. The force is then obtained by integrating the traction along this curve using Laplace's method. We illustrate the usefulness of our theory by comparing it, alongside Derjaguin's approximation, with numerical simulations in the case of two parallel cylinders at low potentials. By combining our result and Derjaguin's approximation, the interaction force is provided at arbitrary interparticle separations. Our theory can be generalized to arbitrary three-dimensional geometries, nonideal electrolyte models, and other physical scenarios where exponentially decaying fields give rise to forces.

  18. Euclidean Monte Carlo simulation of nuclear interactions

    International Nuclear Information System (INIS)

    Montvay, Istvan; Bonn Univ.; Urbach, Carsten

    2011-05-01

    We present an exploratory study of chiral effective theories of nuclei with methods adopted from lattice quantum chromodynamics (QCD). We show that the simulations in the Euclidean path integral approach are feasible and that we can determine the energy of the two nucleon state. By varying the parameters and the simulated volumes phase shifts can be determined in principle and hopefully tuned to their physical values in the future. The physical cut-off of the theory is realised by blocking of the lattice fields. By keeping this physical cut-off fixed in physical units the lattice cut-off can be changed and in this way the lattice artefacts can be eliminated. (orig.)

  19. Interactive Mathematica Simulations in Chemical Engineering Courses

    Science.gov (United States)

    Falconer, John L.; Nicodemus, Garret D.

    2014-01-01

    Interactive Mathematica simulations with graphical displays of system behavior are an excellent addition to chemical engineering courses. The Manipulate command in Mathematica creates on-screen controls that allow users to change system variables and see the graphical output almost instantaneously. They can be used both in and outside class. More…

  20. Local simulation algorithms for Coulombic interactions

    Indian Academy of Sciences (India)

    We consider a problem in dynamically constrained Monte Carlo dynamics and show that this leads to the generation of long ranged effective interactions. This allows us to construct a local algorithm for the simulation of charged systems without ever having to evaluate pair potentials or solve the Poisson equation.

  1. Dynamic Interactions for Network Visualization and Simulation

    Science.gov (United States)

    2009-03-01

    projects.htm, Site accessed January 5, 2009. 12. John S. Weir, Major, USAF, Mediated User-Simulator Interactive Command with Visualization ( MUSIC -V). Master’s...Computing Sciences in Colleges, December 2005). 14. Enrique Campos -Nanez, “nscript user manual,” Department of System Engineer- ing University of

  2. Interactive Heat Transfer Simulations for Everyone

    Science.gov (United States)

    Xie, Charles

    2012-01-01

    Heat transfer is widely taught in secondary Earth science and physics. Researchers have identified many misconceptions related to heat and temperature. These misconceptions primarily stem from hunches developed in everyday life (though the confusions in terminology often worsen them). Interactive computer simulations that visualize thermal energy,…

  3. Interactive visualization to advance earthquake simulation

    Science.gov (United States)

    Kellogg, L.H.; Bawden, G.W.; Bernardin, T.; Billen, M.; Cowgill, E.; Hamann, B.; Jadamec, M.; Kreylos, O.; Staadt, O.; Sumner, D.

    2008-01-01

    The geological sciences are challenged to manage and interpret increasing volumes of data as observations and simulations increase in size and complexity. For example, simulations of earthquake-related processes typically generate complex, time-varying data sets in two or more dimensions. To facilitate interpretation and analysis of these data sets, evaluate the underlying models, and to drive future calculations, we have developed methods of interactive visualization with a special focus on using immersive virtual reality (VR) environments to interact with models of Earth's surface and interior. Virtual mapping tools allow virtual "field studies" in inaccessible regions. Interactive tools allow us to manipulate shapes in order to construct models of geological features for geodynamic models, while feature extraction tools support quantitative measurement of structures that emerge from numerical simulation or field observations, thereby enabling us to improve our interpretation of the dynamical processes that drive earthquakes. VR has traditionally been used primarily as a presentation tool, albeit with active navigation through data. Reaping the full intellectual benefits of immersive VR as a tool for scientific analysis requires building on the method's strengths, that is, using both 3D perception and interaction with observed or simulated data. This approach also takes advantage of the specialized skills of geological scientists who are trained to interpret, the often limited, geological and geophysical data available from field observations. ?? Birkhaueser 2008.

  4. Nonlinear turbulence theory and simulation of Buneman instability

    International Nuclear Information System (INIS)

    Yoon, P. H.; Umeda, T.

    2010-01-01

    In the present paper, the weak turbulence theory for reactive instabilities, formulated in a companion paper [P. H. Yoon, Phys. Plasmas 17, 112316 (2010)], is applied to the strong electron-ion two-stream (or Buneman) instability. The self-consistent theory involves quasilinear velocity space diffusion equation for the particles and nonlinear wave kinetic equation that includes quasilinear (or induced emission) term as well as nonlinear wave-particle interaction term (or a term that represents an induced scattering off ions). We have also performed one-dimensional electrostatic Vlasov simulation in order to benchmark the theoretical analysis. Under the assumption of self-similar drifting Gaussian distribution function for the electrons it is shown that the current reduction and the accompanying electron heating as well as electric field turbulence generation can be discussed in a self-consistent manner. Upon comparison with the Vlasov simulation result it is found that quasilinear wave kinetic equation alone is insufficient to account for the final saturation amplitude. Upon including the nonlinear scattering term in the wave kinetic equation, however, we find that a qualitative agreement with the simulation is recovered. From this, we conclude that the combined quasilinear particle diffusion plus induced emission and scattering (off ions) processes adequately account for the nonlinear development of the Buneman instability.

  5. Nonlattice Simulation for Supersymmetric Gauge Theories in One Dimension

    International Nuclear Information System (INIS)

    Hanada, Masanori; Nishimura, Jun; Takeuchi, Shingo

    2007-01-01

    Lattice simulation of supersymmetric gauge theories is not straightforward. In some cases the lack of manifest supersymmetry just necessitates cumbersome fine-tuning, but in the worse cases the chiral and/or Majorana nature of fermions makes it difficult to even formulate an appropriate lattice theory. We propose circumventing all these problems inherent in the lattice approach by adopting a nonlattice approach for one-dimensional supersymmetric gauge theories, which are important in the string or M theory context. In particular, our method can be used to investigate the gauge-gravity duality from first principles, and to simulate M theory based on the matrix theory conjecture

  6. Coherent Synchrotron Radiation: Theory and Simulations

    International Nuclear Information System (INIS)

    Novokhatski, Alexander

    2012-01-01

    The physics of coherent synchrotron radiation (CSR) emitted by ultra-relativistic electron bunches, known since the last century, has become increasingly important with the development of high peak current free electron lasers and shorter bunch lengths in storage rings. Coherent radiation can be described as a low frequency part of the familiar synchrotron radiation in bending magnets. As this part is independent of the electron energy, the fields of different electrons of a short bunch can be in phase and the total power of the radiation will be quadratic with the number of electrons. Naturally the frequency spectrum of the longitudinal electron distribution in a bunch is of the same importance as the overall electron bunch length. The interest in the utilization of high power radiation from the terahertz and far infrared region in the field of chemical, physical and biological processes has led synchrotron radiation facilities to pay more attention to the production of coherent radiation. Several laboratories have proposed the construction of a facility wholly dedicated to terahertz production using the coherent radiation in bending magnets initiated by the longitudinal instabilities in the ring. Existing synchrotron radiation facilities also consider such a possibility among their future plans. There is a beautiful introduction to CSR in the 'ICFA Beam Dynamics Newsletter' N 35 (Editor C. Biscari). In this paper we recall the basic properties of CSR from the theory and what new effects, we can get from the precise simulations of the coherent radiation using numerical solutions of Maxwell's equations. In particular, transverse variation of the particle energy loss in a bunch, discovered in these simulations, explains the slice emittance growth in bending magnets of the bunch compressors and transverse de-coherence in undulators. CSR may play same the role as the effect of quantum fluctuations of synchrotron radiation in damping rings. It can limit the minimum

  7. Introduction to gauge theories of electroweak interactions

    International Nuclear Information System (INIS)

    Ecker, G.

    1982-01-01

    The author presents an introduction to electroweak gauge theories. Emphasis is placed on the properties of a general gauge theory. The standard model is discussed as the simplest example to illustrate these properties. (G.T.H.)

  8. Digital Quantum Simulation of Z_{2} Lattice Gauge Theories with Dynamical Fermionic Matter.

    Science.gov (United States)

    Zohar, Erez; Farace, Alessandro; Reznik, Benni; Cirac, J Ignacio

    2017-02-17

    We propose a scheme for digital quantum simulation of lattice gauge theories with dynamical fermions. Using a layered optical lattice with ancilla atoms that can move and interact with the other atoms (simulating the physical degrees of freedom), we obtain a stroboscopic dynamics which yields the four-body plaquette interactions, arising in models with (2+1) and higher dimensions, without the use of perturbation theory. As an example we show how to simulate a Z_{2} model in (2+1) dimensions.

  9. Interactive methods for exploring particle simulation data

    Energy Technology Data Exchange (ETDEWEB)

    Co, Christopher S.; Friedman, Alex; Grote, David P.; Vay, Jean-Luc; Bethel, E. Wes; Joy, Kenneth I.

    2004-05-01

    In this work, we visualize high-dimensional particle simulation data using a suite of scatter plot-based visualizations coupled with interactive selection tools. We use traditional 2D and 3D projection scatter plots as well as a novel oriented disk rendering style to convey various information about the data. Interactive selection tools allow physicists to manually classify ''interesting'' sets of particles that are highlighted across multiple, linked views of the data. The power of our application is the ability to correspond new visual representations of the simulation data with traditional, well understood visualizations. This approach supports the interactive exploration of the high-dimensional space while promoting discovery of new particle behavior.

  10. RISM theory distribution functions for Lennard--Jones interaction site fluids

    International Nuclear Information System (INIS)

    Johnson, E.; Hazoume, R.P.

    1978-01-01

    Reference interaction site model (RISM) theory distribution functions for Lennard-Jones interaction site fluids are discussed. The comparison with computer simulation results suggests that these distribution functions are as accurate as RISM distribution functions for fused hard sphere molecular fluids

  11. Plasma theory and simulation: Third and fourth quarterly progress report, July 1, 1986-December 31, 1986

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1986-01-01

    Our group uses theory and simulation as tools in order to increase the understanding of plasma instabilities, heating, transport, plasma-wall interactions, and large potentials in plasmas. We also work on the improvement of simulation both theoretically and practically. Two separate papers are included in this report

  12. An interactive beam position monitor system simulator

    International Nuclear Information System (INIS)

    Ryan, W.A.; Shea, T.J.

    1993-03-01

    A system simulator has been implemented to aid the development of the RHIC position monitor system. Based on the LabVIEW software package by National Instruments, this simulator allows engineers and technicians to interactively explore the parameter space of a system during the design phase. Adjustable parameters are divided into three categories: beam, pickup, and electronics. The simulator uses these parameters in simple formulas to produce results in both time-domain and frequencydomain. During the prototyping phase, these simulated results can be compared to test data acquired with the same software package. The RHIC position monitor system is presented as an example, but the software is applicable to several other systems as well

  13. Simulation of a Schema Theory-Based Knowledge Delivery System for Scientists.

    Science.gov (United States)

    Vaughan, W. S., Jr.; Mavor, Anne S.

    A future, automated, interactive, knowledge delivery system for use by researchers was tested using a manual cognitive model. Conceptualized from schema/frame/script theories in cognitive psychology and artificial intelligence, this hypothetical system was simulated by two psychologists who interacted with four researchers in microbiology to…

  14. Foundational Elements of Applied Simulation Theory: Development and Implementation of a Longitudinal Simulation Educator Curriculum.

    Science.gov (United States)

    Chiu, Michelle; Posner, Glenn; Humphrey-Murto, Susan

    2017-01-27

    Simulation-based education has gained popularity, yet many faculty members feel inadequately prepared to teach using this technique. Fellowship training in medical education exists, but there is little information regarding simulation or formal educational programs therein. In our institution, simulation fellowships were offered by individual clinical departments. We recognized the need for a formal curriculum in educational theory. Kern's approach to curriculum development was used to develop, implement, and evaluate the Foundational Elements of Applied Simulation Theory (FEAST) curriculum. Needs assessments resulted in a 26-topic curriculum; each biweekly session built upon the previous. Components essential to success included setting goals and objectives for each interactive session and having dedicated faculty, collaborative leadership and administrative support for the curriculum. Evaluation data was collated and analyzed annually via anonymous feedback surveys, focus groups, and retrospective pre-post self-assessment questionnaires. Data collected from 32 fellows over five years of implementation showed that the curriculum improved knowledge, challenged thinking, and was excellent preparation for a career in simulation-based medical education. Themes arising from focus groups demonstrated that participants valued faculty expertise and the structure, practicality, and content of the curriculum. We present a longitudinal simulation educator curriculum that adheres to a well-described framework of curriculum development. Program evaluation shows that FEAST has increased participant knowledge in key areas relevant to simulation-based education and that the curriculum has been successful in meeting the needs of novice simulation educators. Insights and practice points are offered for educators wishing to implement a similar curriculum in their institution.

  15. Methodology for the interactive graphic simulator construction

    International Nuclear Information System (INIS)

    Milian S, Idalmis; Rodriguez M, Lazaro; Lopez V, Miguel A.

    1997-01-01

    The PC-supported Interactive Graphic Simulators (IGS) have successfully been used for industrial training programs in many countries. This paper is intended to illustrate the general methodology applied by our research team for the construction of this kind of conceptual or small scale simulators. The information and tools available to achieve this goal are also described. The applicability of the present methodology was confirmed with the construction of a set of IGS for nuclear power plants operators training programs in Cuba. One of them, relating reactor kinetics, is shown and briefly described in this paper. (author). 11 refs., 3 figs

  16. The Theory of Quark and Gluon Interactions

    CERN Document Server

    Ynduráin, Francisco J

    2006-01-01

    F. J. Ynduráin's book on Quantum Chromodynamics has become a classic among advanced textbooks. First published in 1983, and translated into Russian in 1986, it now sees its fourth edition. It addresses readers with basic knowledge of field theory and particle phenomenology. The author presents the basic facts of quark and gluon physics in pedagogical form. Theory is always confronted with experimental findings. The reader will learn enough to be able to follow modern research articles. This fourth edition presents a new section on heavy quark effective theories, more material on lattice QCD and on chiral perturbation theory.

  17. Simulations of light antinucleus-nucleus interactions

    Energy Technology Data Exchange (ETDEWEB)

    Galoyan, A., E-mail: galoyan@lxmx00.jinr.ru [JINR, LHEP (Russian Federation); Uzhinsky, V. [JINR, LIT (Russian Federation)

    2013-03-15

    Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-{sup 3}He and anti-{sup 4}He) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

  18. Simulation of Light Antinucleus-Nucleus Interactions

    CERN Document Server

    Galoyan, A.

    2013-01-01

    Creations of light anti-nuclei (anti-deuterium, anti-tritium, anti-He3 and anti-He4) are observed by collaborations at the LHC and RHIC accelerators. Some cosmic ray experiments are aimed to find the anti-nuclei in cosmic rays. To support the experimental studies of the anti-nuclei a Monte Carlo simulation of anti-nuclei interactions with matter is implemented in the Geant4 toolkit. The implementation combines practically all known theoretical approaches to the problem of antinucleon-nucleon interactions.

  19. Interactive monitoring portal for fusion simulations

    International Nuclear Information System (INIS)

    Abla, G.; Schissel, D.P.; Kim, E.N.; Flanagan, S.M.; Lee, X.

    2012-01-01

    Highlights: ► We designed a web-based monitoring system that tracks the status of fusion simulations. ► Our system is scalable to monitor the simulations running on distributed supercomputers and clusters located at multiple geographical locations. ► The monitoring portal provides a web-based interface for post-run analysis, such as visualizing the results, logging the user comments, and rating the simulation quality. ► Our system utilizes the open source software, such as Python, Django, MySQL, Apache, and MDSplus. - Abstract: The Center for Simulation of RF Wave Interactions with Magnetohydrodynamics (SWIM) Project is a proto-Fusion Simulation Program (FSP) whose goal is to study high-performance fusion plasmas and perform comprehensive simulations that are essential to the development of fusion. SWIM team members are geographically distributed and utilize distributed supercomputers for computational simulations. Due to the highly distributed computational work environment, the SWIM team has the difficulty of monitoring code runs and discovering historical runs. To alleviate this difficulty a web-based monitoring portal has been developed and deployed. The monitoring portal tracks the progress of simulations and automatically collects metadata in real-time. This capability helps scientists to effectively utilize precious computer resources. Furthermore, the portal provides a web-based interface for post-run analysis, such as visualizing the results, logging the user comments, and rating the simulation quality. The user interface provides rapid discovery capability via multi-field searching and sorting. The development of the monitoring portal used open source software, such as Python, Django, MySQL, and Apache. It uses MDSplus for data management, Memcached for data caches, and OpenID for single sign-on security. This paper describes the software architecture, related technologies and deployment experiences of the monitoring portal.

  20. Quantum Link Models and Quantum Simulation of Gauge Theories

    International Nuclear Information System (INIS)

    Wiese, U.J.

    2015-01-01

    This lecture is about Quantum Link Models and Quantum Simulation of Gauge Theories. The lecture consists out of 4 parts. The first part gives a brief history of Computing and Pioneers of Quantum Computing and Quantum Simulations of Quantum Spin Systems are introduced. The 2nd lecture is about High-Temperature Superconductors versus QCD, Wilson’s Lattice QCD and Abelian Quantum Link Models. The 3rd lecture deals with Quantum Simulators for Abelian Lattice Gauge Theories and Non-Abelian Quantum Link Models. The last part of the lecture discusses Quantum Simulators mimicking ‘Nuclear’ physics and the continuum limit of D-Theorie models. (nowak)

  1. Trait-mediated trophic interactions: is foraging theory keeping up?

    Science.gov (United States)

    Steven F. Railsback; Bret C. Harvey

    2013-01-01

    Many ecologists believe that there is a lack of foraging theory that works in community contexts, for populations of unique individuals each making trade-offs between food and risk that are subject to feedbacks from behavior of others. Such theory is necessary to reproduce the trait-mediated trophic interactions now recognized as widespread and strong. Game theory can...

  2. Phase Diagrams of Strongly Interacting Theories

    DEFF Research Database (Denmark)

    Sannino, Francesco

    2010-01-01

    We summarize the phase diagrams of SU, SO and Sp gauge theories as function of the number of flavors, colors, and matter representation as well as the ones of phenomenologically relevant chiral gauge theories such as the Bars-Yankielowicz and the generalized Georgi-Glashow models. We finally report...

  3. Theory and simulations of adhesion receptor dimerization on membrane surfaces.

    Science.gov (United States)

    Wu, Yinghao; Honig, Barry; Ben-Shaul, Avinoam

    2013-03-19

    The equilibrium constants of trans and cis dimerization of membrane bound (2D) and freely moving (3D) adhesion receptors are expressed and compared using elementary statistical-thermodynamics. Both processes are mediated by the binding of extracellular subdomains whose range of motion in the 2D environment is reduced upon dimerization, defining a thin reaction shell where dimer formation and dissociation take place. We show that the ratio between the 2D and 3D equilibrium constants can be expressed as a product of individual factors describing, respectively, the spatial ranges of motions of the adhesive domains, and their rotational freedom within the reaction shell. The results predicted by the theory are compared to those obtained from a novel, to our knowledge, dynamical simulations methodology, whereby pairs of receptors perform realistic translational, internal, and rotational motions in 2D and 3D. We use cadherins as our model system. The theory and simulations explain how the strength of cis and trans interactions of adhesive receptors are affected both by their presence in the constrained intermembrane space and by the 2D environment of membrane surfaces. Our work provides fundamental insights as to the mechanism of lateral clustering of adhesion receptors after cell-cell contact and, more generally, to the formation of lateral microclusters of proteins on cell surfaces. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  4. Molecular Theory and Simulation of Water-Oil Contacts

    Science.gov (United States)

    Tan, Liang

    The statistical mechanical theory of hydrophobic interactions was initiated decades ago for purely repulsive hydrophobic species, in fact, originally for hard-sphere solutes in liquid water. Systems which treat only repulsive solute-water interactions obviously differ from the real world situation. The issue of the changes to be expected from inclusion of realistic attractive solute-water interactions has been of specific interest also for decades. We consider the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions. The principal result of LMF theory is outlined, then tested by obtaining radial distribution functions (rdfs) for Ar atoms in water, with and without attractive interactions distinguished by the Weeks-Chandler-Andersen (WCA) separation. Change from purely repulsive atomic solute interactions to include realistic attractive interactions substantially diminishes the strength of hydrophobic bonds. Since attractions make a big contribution to hydrophobic interactions, Pratt-Chandler theory, which did not include attractions, should not be naively compared to computer simulation results with general physical interactions, including attractions. Lack of general appreciation of this point has lead to mistaken comparisons throughout the history of this subject. The rdfs permit evaluation of osmotic second virial coefficients B2. Those B 2 are consistent with the conclusion that incorporation of attractive interactions leads to more positive (repulsive) values. In all cases here, B2 becomes more attractive with increasing temperature below T = 360K, the so-call inverse temperature behavior. In 2010, the Gulf of Mexico Macondo well (Deepwater Horizon) oil spill focused the attention of the world on water-oil phase equilibrium. In response to the disaster, chemical dispersants were applied to break oil slicks into droplets and thus to avoid large-scale fouling of beaches and to speed up biodegradation

  5. A theory of strong interactions ''from'' general relativity

    International Nuclear Information System (INIS)

    Caldirola, P.; Recami, E.

    1979-01-01

    In this paper a previous letter (where, among other things, a classical ''quark confinement'' was derived from general relativity plus dilatation-covariance), is completed by showing that the theory is compatible also with quarks ''asymptotic freedom''. Then -within a bi-scale theory of gravitational and strong interactions- a classical field theory is proposed for the (strong) interactions between hadrons. Various consequences are briefly analysed

  6. Classical diffusion: theory and simulation codes

    International Nuclear Information System (INIS)

    Grad, H.; Hu, P.N.

    1978-03-01

    A survey is given of the development of classical diffusion theory which arose from the observation of Grad and Hogan that the Pfirsch-Schluter and Neoclassical theories are very special and frequently inapplicable because they require that plasma mass flow be treated as transport rather than as a state variable of the plasma. The subsequent theory, efficient numerical algorithms, and results of various operating codes are described

  7. Density-functional theory simulation of large quantum dots

    Science.gov (United States)

    Jiang, Hong; Baranger, Harold U.; Yang, Weitao

    2003-10-01

    Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. Here an efficient method for the simulation of quantum dots using density-function theory is developed; it includes the particle-in-the-box representation of the Kohn-Sham orbitals, an efficient conjugate-gradient method to directly minimize the total energy, a Fourier convolution approach for the calculation of the Hartree potential, and a simplified multigrid technique to accelerate the convergence. We test the methodology in a two-dimensional model system and show that numerical studies of large quantum dots with several hundred electrons become computationally affordable. In the noninteracting limit, the classical dynamics of the system we study can be continuously varied from integrable to fully chaotic. The qualitative difference in the noninteracting classical dynamics has an effect on the quantum properties of the interacting system: integrable classical dynamics leads to higher-spin states and a broader distribution of spacing between Coulomb blockade peaks.

  8. A Theory for Educational Research: Socialisation Theory and Symbolic Interaction

    Science.gov (United States)

    Potts, Anthony

    2015-01-01

    This article develops a theory of socialisation based on the Chicago School of symbolic interactionism but infused with new and important insights offered by contemporary scholars and their writings on roles and relationships in the twenty first century and life in the informational, network and global world. While still rooted in the seminal…

  9. Interactive physically-based sound simulation

    Science.gov (United States)

    Raghuvanshi, Nikunj

    The realization of interactive, immersive virtual worlds requires the ability to present a realistic audio experience that convincingly compliments their visual rendering. Physical simulation is a natural way to achieve such realism, enabling deeply immersive virtual worlds. However, physically-based sound simulation is very computationally expensive owing to the high-frequency, transient oscillations underlying audible sounds. The increasing computational power of desktop computers has served to reduce the gap between required and available computation, and it has become possible to bridge this gap further by using a combination of algorithmic improvements that exploit the physical, as well as perceptual properties of audible sounds. My thesis is a step in this direction. My dissertation concentrates on developing real-time techniques for both sub-problems of sound simulation: synthesis and propagation. Sound synthesis is concerned with generating the sounds produced by objects due to elastic surface vibrations upon interaction with the environment, such as collisions. I present novel techniques that exploit human auditory perception to simulate scenes with hundreds of sounding objects undergoing impact and rolling in real time. Sound propagation is the complementary problem of modeling the high-order scattering and diffraction of sound in an environment as it travels from source to listener. I discuss my work on a novel numerical acoustic simulator (ARD) that is hundred times faster and consumes ten times less memory than a high-accuracy finite-difference technique, allowing acoustic simulations on previously-intractable spaces, such as a cathedral, on a desktop computer. Lastly, I present my work on interactive sound propagation that leverages my ARD simulator to render the acoustics of arbitrary static scenes for multiple moving sources and listener in real time, while accounting for scene-dependent effects such as low-pass filtering and smooth attenuation

  10. Gauge theories of the weak interactions

    International Nuclear Information System (INIS)

    Quinn, H.

    1978-01-01

    Lectures are given on the Weinberg--Salam or Weinberg--Salam--Glashow--Iliopoulos--Maiani gauge theory. The way it is put together and some possible variations in the literature are discussed. 53 references

  11. Interactive simulations for quantum key distribution

    International Nuclear Information System (INIS)

    Kohnle, Antje; Rizzoli, Aluna

    2017-01-01

    Secure communication protocols are becoming increasingly important, e.g. for internet-based communication. Quantum key distribution (QKD) allows two parties, commonly called Alice and Bob, to generate a secret sequence of 0s and 1s called a key that is only known to themselves. Classically, Alice and Bob could never be certain that their communication was not compromised by a malicious eavesdropper. Quantum mechanics however makes secure communication possible. The fundamental principle of quantum mechanics that taking a measurement perturbs the system (unless the measurement is compatible with the quantum state) also applies to an eavesdropper. Using appropriate protocols to create the key, Alice and Bob can detect the presence of an eavesdropper by errors in their measurements. As part of the QuVis Quantum Mechanics Visualisation Project, we have developed a suite of four interactive simulations that demonstrate the basic principles of three different QKD protocols. The simulations use either polarised photons or spin 1/2 particles as physical realisations. The simulations and accompanying activities are freely available for use online or download, and run on a wide range of devices including tablets and PCs. Evaluation with students over three years was used to refine the simulations and activities. Preliminary studies show that the refined simulations and activities help students learn the basic principles of QKD at both the introductory and advanced undergraduate levels. (paper)

  12. Interactive simulations for quantum key distribution

    Science.gov (United States)

    Kohnle, Antje; Rizzoli, Aluna

    2017-05-01

    Secure communication protocols are becoming increasingly important, e.g. for internet-based communication. Quantum key distribution (QKD) allows two parties, commonly called Alice and Bob, to generate a secret sequence of 0s and 1s called a key that is only known to themselves. Classically, Alice and Bob could never be certain that their communication was not compromised by a malicious eavesdropper. Quantum mechanics however makes secure communication possible. The fundamental principle of quantum mechanics that taking a measurement perturbs the system (unless the measurement is compatible with the quantum state) also applies to an eavesdropper. Using appropriate protocols to create the key, Alice and Bob can detect the presence of an eavesdropper by errors in their measurements. As part of the QuVis Quantum Mechanics Visualisation Project, we have developed a suite of four interactive simulations that demonstrate the basic principles of three different QKD protocols. The simulations use either polarised photons or spin 1/2 particles as physical realisations. The simulations and accompanying activities are freely available for use online or download, and run on a wide range of devices including tablets and PCs. Evaluation with students over three years was used to refine the simulations and activities. Preliminary studies show that the refined simulations and activities help students learn the basic principles of QKD at both the introductory and advanced undergraduate levels.

  13. Theory, Modeling and Simulation: Research progress report 1994--1995

    Energy Technology Data Exchange (ETDEWEB)

    Garrett, B.C.; Dixon, D.A.; Dunning, T.H.

    1997-01-01

    The Pacific Northwest National Laboratory (PNNL) has established the Environmental Molecular Sciences Laboratory (EMSL). In April 1994, construction began on the new EMSL, a collaborative research facility devoted to advancing the understanding of environmental molecular science. Research in the Theory, Modeling, and Simulation (TM and S) program will play a critical role in understanding molecular processes important in restoring DOE`s research, development, and production sites, including understanding the migration and reactions of contaminants in soils and ground water, developing processes for isolation and processing of pollutants, developing improved materials for waste storage, understanding the enzymatic reactions involved in the biodegradation of contaminants, and understanding the interaction of hazardous chemicals with living organisms. The research objectives of the TM and S program are fivefold: to apply available electronic structure and dynamics techniques to study fundamental molecular processes involved in the chemistry of natural and contaminated systems; to extend current electronic structure and dynamics techniques to treat molecular systems of future importance and to develop new techniques for addressing problems that are computationally intractable at present; to apply available molecular modeling techniques to simulate molecular processes occurring in the multi-species, multi-phase systems characteristic of natural and polluted environments; to extend current molecular modeling techniques to treat ever more complex molecular systems and to improve the reliability and accuracy of such simulations; and to develop technologies for advanced parallel architectural computer systems. Research highlights of 82 projects are given.

  14. Long-range interactions in lattice field theory

    Energy Technology Data Exchange (ETDEWEB)

    Rabin, J.M.

    1981-06-01

    Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations.

  15. Long-range interactions in lattice field theory

    International Nuclear Information System (INIS)

    Rabin, J.M.

    1981-06-01

    Lattice quantum field theories containing fermions can be formulated in a chirally invariant way provided long-range interactions are introduced. It is established that in weak-coupling perturbation theory such a lattice theory is renormalizable when the corresponding continuum theory is, and that the continuum theory is indeed recovered in the perturbative continuum limit. In the strong-coupling limit of these theories one is led to study an effective Hamiltonian describing a Heisenberg antiferromagnet with long-range interactions. Block-spin renormalization group methods are used to find a critical rate of falloff of the interactions, approximately as inverse distance squared, which separates a nearest-neighbor-antiferromagnetic phase from a phase displaying identifiable long-range effects. A duality-type symmetry is present in some block-spin calculations

  16. On the inclusion of macroscopic theory in Monte Carlo simulation using game theory

    International Nuclear Information System (INIS)

    Tatarkiewicz, J.

    1980-01-01

    This paper presents the inclusion of macroscopic damage theory into Monte Carlo particle-range simulation using game theory. A new computer code called RADDI was developed on the basis of this inclusion. Results of Monte Carlo damage simulation after 6.3 MeV proton bombardment of silicon are compared with experimental data of Bulgakov et al. (orig.)

  17. Charging of the Van Allen Probes: Theory and Simulations

    Science.gov (United States)

    Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Denton, M.

    2017-12-01

    The electrical charging of spacecraft has been a known problem since the beginning of the space age. Its consequences can vary from moderate (single event upsets) to catastrophic (total loss of the spacecraft) depending on a variety of causes, some of which could be related to the surrounding plasma environment, including emission processes from the spacecraft surface. Because of its complexity and cost, this problem is typically studied using numerical simulations. However, inherent unknowns in both plasma parameters and spacecraft material properties can lead to inaccurate predictions of overall spacecraft charging levels. The goal of this work is to identify and study the driving causes and necessary parameters for particular spacecraft charging events on the Van Allen Probes (VAP) spacecraft. This is achieved by making use of plasma theory, numerical simulations, and on-board data. First, we present a simple theoretical spacecraft charging model, which assumes a spherical spacecraft geometry and is based upon the classical orbital-motion-limited approximation. Some input parameters to the model (such as the warm plasma distribution function) are taken directly from on-board VAP data, while other parameters are either varied parametrically to assess their impact on the spacecraft potential, or constrained through spacecraft charging data and statistical techniques. Second, a fully self-consistent numerical simulation is performed by supplying these parameters to CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC simulations remove some of the assumptions of the theoretical model and also capture the influence of the full geometry of the spacecraft. The CPIC numerical simulation results will be presented and compared with on-board VAP data. This work will set the foundation for our eventual goal of importing the full plasma environment from the LANL-developed SHIELDS framework into CPIC, in order to more accurately

  18. An Emerging Interactional Theory of Communication.

    Science.gov (United States)

    Malone, Martin J.

    An interactional model of communication can be based on Erving Goffman's concept of the "interaction order" and the conversation analytic focus on meaning. Three sets of related ideas provide the intellectual foundations for this approach: actions are designed for recipients; talk is multi-functional; and self presentation is semiotic.…

  19. Dynamics simulations for engineering macromolecular interactions

    Science.gov (United States)

    Robinson-Mosher, Avi; Shinar, Tamar; Silver, Pamela A.; Way, Jeffrey

    2013-01-01

    The predictable engineering of well-behaved transcriptional circuits is a central goal of synthetic biology. The artificial attachment of promoters to transcription factor genes usually results in noisy or chaotic behaviors, and such systems are unlikely to be useful in practical applications. Natural transcriptional regulation relies extensively on protein-protein interactions to insure tightly controlled behavior, but such tight control has been elusive in engineered systems. To help engineer protein-protein interactions, we have developed a molecular dynamics simulation framework that simplifies features of proteins moving by constrained Brownian motion, with the goal of performing long simulations. The behavior of a simulated protein system is determined by summation of forces that include a Brownian force, a drag force, excluded volume constraints, relative position constraints, and binding constraints that relate to experimentally determined on-rates and off-rates for chosen protein elements in a system. Proteins are abstracted as spheres. Binding surfaces are defined radially within a protein. Peptide linkers are abstracted as small protein-like spheres with rigid connections. To address whether our framework could generate useful predictions, we simulated the behavior of an engineered fusion protein consisting of two 20 000 Da proteins attached by flexible glycine/serine-type linkers. The two protein elements remained closely associated, as if constrained by a random walk in three dimensions of the peptide linker, as opposed to showing a distribution of distances expected if movement were dominated by Brownian motion of the protein domains only. We also simulated the behavior of fluorescent proteins tethered by a linker of varying length, compared the predicted Förster resonance energy transfer with previous experimental observations, and obtained a good correspondence. Finally, we simulated the binding behavior of a fusion of two ligands that could

  20. Introducing Simulation via the Theory of Records

    Science.gov (United States)

    Johnson, Arvid C.

    2011-01-01

    While spreadsheet simulation can be a useful method by which to help students to understand some of the more advanced concepts in an introductory statistics course, introducing the simulation methodology at the same time as these concepts can result in student cognitive overload. This article describes a spreadsheet model that has been…

  1. Monte Carlo simulations of lattice gauge theories

    International Nuclear Information System (INIS)

    Forcrand, P. de; Minnesota Univ., Minneapolis, MN

    1989-01-01

    Lattice gauge simulations are presented in layman's terms. The need for large computer resources is justified. The main aspects of implementations on vector and parallel machines are explained. An overview of state of the art simulations and dedicated hardware projects is presented. 8 refs.; 1 figure; 1 table

  2. Simulation of interactions at the LHC

    Energy Technology Data Exchange (ETDEWEB)

    Duckeck, Guenter [Munich Univ. (Germany). Physics Faculty

    2016-11-01

    The LHC Run-2 is planned to continue until end of 2018 and should increase the data volume by at least a factor 5 compared to Run-1. A corresponding increase of the simulated data volume is required in order to analyze and interpret the recorded data. This will allow us to determine with much better precision the properties of the Higgs Boson and either find new particles as predicted by 'New Physics' theories or further increase the constraints on these models. Using SuperMUC to simulate events will be a crucial component to reach these goals. Active development of the simulation software is ongoing in order to make the workflow more flexible and better parallelizable for smaller work-units. Adapting the software for Intel/Mic architectures is an important goal, though presumably more in the long-term after LHC Run-2 (Run-3 is planned to start in 2021). We would hope that ''SuperMUC Next Generation'' provides Intel/Mic architecture extensions.

  3. The mode coupling theory in the FDR-preserving field theory of interacting Brownian particles

    International Nuclear Information System (INIS)

    Kim, Bongsoo; Kawasaki, Kyozi

    2007-01-01

    We develop a renormalized perturbation theory for the dynamics of interacting Brownian particles, which preserves the fluctuation-dissipation relation order by order. We then show that the resulting one-loop theory gives a closed equation for the density correlation function, which is identical with that in the standard mode coupling theory. (fast track communication)

  4. Early history of gauge theories and weak interactions

    International Nuclear Information System (INIS)

    Straumann, N.

    1996-01-01

    The paper deals with Weyl's attempt to unify gravitation and electromagnetism, Weyl's 1929 classic 'Electron and gravitation', Yang-Mills theory, parity violation and 2-component neutrino, chiral invariance and universal V-A interaction. 3 figs., 38 refs

  5. Renormalization theory of beam-beam interaction in electron-positron colliders

    International Nuclear Information System (INIS)

    Chin, Y.H.

    1989-07-01

    This note is devoted to explaining the essence of the renormalization theory of beam-beam interaction for carrying out analytical calculations of equilibrium particle distributions in electron-positron colliding beam storage rings. Some new numerical examples are presented such as for betatron tune dependence of the rms beam size. The theory shows reasonably good agreements with the results of computer simulations. 5 refs., 6 figs

  6. Simulating the Interactions Among Land Use, Transportation ...

    Science.gov (United States)

    In most transportation studies, computer models that forecast travel behavior statistics for a future year use static projections of the spatial distribution of future population and employment growth as inputs. As a result, they are unable to account for the temporally dynamic and non-linear interactions among transportation, land use, and socioeconomic systems. System dynamics (SD) provides a common framework for modeling the complex interactions among transportation and other related systems. This study uses a SD model to simulate the cascading impacts of a proposed light rail transit (LRT) system in central North Carolina, USA. The Durham-Orange Light Rail Project (D-O LRP) SD model incorporates relationships among the land use, transportation, and economy sectors to simulate the complex feedbacks that give rise to the travel behavior changes forecasted by the region’s transportation model. This paper demonstrates the sensitivity of changes in travel behavior to the proposed LRT system and the assumptions that went into the transportation modeling, and compares those results to the impacts of an alternative fare-free transit system. SD models such as the D-O LRP SD model can complement transportation studies by providing valuable insight into the interdependent community systems that collectively contribute to travel behavior changes. Presented at the 35th International Conference of the System Dynamics Society in Cambridge, MA, July 18th, 2017

  7. Using Historical Simulations to Teach Political Theory

    Science.gov (United States)

    Gorton, William; Havercroft, Jonathan

    2012-01-01

    As teachers of political theory, our goal is not merely to help students understand the abstract reasoning behind key ideas and texts of our discipline. We also wish to convey the historical contexts that informed these ideas and texts, including the political aims of their authors. But the traditional lecture-and-discussion approach tends to…

  8. Plasma confinement theory and transport simulation

    International Nuclear Information System (INIS)

    Ross, D.W.

    1993-02-01

    The objectives continue to be: (1) to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database, and (2) to provide theoretical interpretation, modeling and equilibrium and stability for TEXT-Upgrade. Recent publications and reports, and conference presentations of the Fusion Research Center theory group are listed

  9. Proxemic interactions from theory to practice

    CERN Document Server

    Marquardt, Nicolai

    2015-01-01

    In the everyday world, much of what we do as social beings is dictated by how we perceive and manage our interpersonal space. This is called proxemics. At its simplest, people naturally correlate physical distance to social distance. We believe that people's expectations of proxemics can be exploited in interaction design to mediate their interactions with devices (phones, tablets, computers, appliances, large displays) contained within a small ubiquitous computing ecology. Just as people expect increasing engagement and intimacy as they approach others, so should they naturally expect increas

  10. 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.

  11. A comparison between integral equation theory and molecular dynamics simulations of dense, flexible polymer liquids

    International Nuclear Information System (INIS)

    Curro, J.G.; Schweizer, K.S.; Grest, G.S.; Kremer, K.; Corporate Research Science Laboratory, Exxon Research and Engineering Company, Annandale, New Jersey 08801; Institut fur Festkorperforschung der Kernforschungsanlage Julich, D-5170 Julich, Federal Republic of Germany)

    1989-01-01

    Recently we (J.G.C. and K.S.S.) formulated a tractable ''reference interaction site model'' (RISM) integral equation theory of flexible polymer liquids. The purpose of this paper is to compare the results of the theory with recent molecular dynamics simulations (G.S.G. and K.K.) on dense chain liquids of degree of polymerization N=50 and 200. Specific comparisons were made between theory and simulation for the intramolecular structure factor ω(k) and the intermolecular radial distribution function g(r) in the liquid. In particular it was possible to independently test the assumptions inherent in the RISM theory and the additional ideality approximation that was made in the initial application of the theory. This comparison was accomplished by calculating the intermolecular g(r) using the simulated intramolecular structure factor, as well as, ω(k) derived from a freely jointed chain model.The RISM theory results, using the simulated ω(k), were found to be in excellent agreement, over all length scales, with the g(r) from molecular dynamics simulations. The theoretical predictions using the ''ideal'' intramolecular structure factor tended to underestimate g(r) near contact, indicating local intramolecular expansion of the chains. This local expansion can be incorporated into the theory self consistently by including the effects of the ''medium induced'' potential on the intramolecular structure

  12. Direct interaction in nuclear reactions: a theory

    International Nuclear Information System (INIS)

    Dominicis, C.T. de

    1959-01-01

    General treatment of the foundations of direct interaction in nuclear reactions; representation of the instantaneous elastic scattering amplitude by the scattering amplitude due to a complex potential; expansion of the instantaneous inelastic scattering amplitude and discussion of the 1. Bohr approximation (distorted waves) contribution to individual and collective states of excitation. (author) [fr

  13. Interaction Analysis: Theory, Research and Application.

    Science.gov (United States)

    Amidon, Edmund J., Ed.; Hough, John J., Ed.

    This volume of selected readings developed for students and practitioners at various levels of sophistication is intended to be representative of work done to date on interaction analysis. The contents include journal articles, papers read at professional meetings, abstracts of doctoral dissertations, and selections from larger monographs, plus 12…

  14. Fluid dynamics theory, computation, and numerical simulation

    CERN Document Server

    Pozrikidis, C

    2017-01-01

    This book provides an accessible introduction to the basic theory of fluid mechanics and computational fluid dynamics (CFD) from a modern perspective that unifies theory and numerical computation. Methods of scientific computing are introduced alongside with theoretical analysis and MATLAB® codes are presented and discussed for a broad range of topics: from interfacial shapes in hydrostatics, to vortex dynamics, to viscous flow, to turbulent flow, to panel methods for flow past airfoils. The third edition includes new topics, additional examples, solved and unsolved problems, and revised images. It adds more computational algorithms and MATLAB programs. It also incorporates discussion of the latest version of the fluid dynamics software library FDLIB, which is freely available online. FDLIB offers an extensive range of computer codes that demonstrate the implementation of elementary and advanced algorithms and provide an invaluable resource for research, teaching, classroom instruction, and self-study. This ...

  15. Nuclear Lattice Simulations with Chiral Effective Field Theory

    OpenAIRE

    Lee, Dean

    2008-01-01

    We present recent results on lattice simulations using chiral effective field theory. In particular we discuss lattice simulations for dilute neutron matter at next-to-leading order and three-body forces in light nuclei at next-to-next-to-leading order.

  16. Electrodynamics as a theory of interacting complex charges

    International Nuclear Information System (INIS)

    Akeyo Omolo, Joseph

    2003-04-01

    In this paper, we formulate a general theory of electrodynamics which incorporates both electric and magnetic charges. The mathematical origin of a second vector potential and magnetic charge is established. Electrodynamics is then reformulated in complex form as a theory of complex charges moving in a complex force field. This provides the framework for complex charged particle interactions as a generalization of Schwinger's theory of dyon-dyon interactions. The concept of duality transformation relating electric and magnetic charge spaces is developed within the general framework of electrodynamics in complex form. (author)

  17. Thermodynamic and transport properties of nitrogen fluid: Molecular theory and computer simulations

    Science.gov (United States)

    Eskandari Nasrabad, A.; Laghaei, R.

    2018-04-01

    Computer simulations and various theories are applied to compute the thermodynamic and transport properties of nitrogen fluid. To model the nitrogen interaction, an existing potential in the literature is modified to obtain a close agreement between the simulation results and experimental data for the orthobaric densities. We use the Generic van der Waals theory to calculate the mean free volume and apply the results within the modified Cohen-Turnbull relation to obtain the self-diffusion coefficient. Compared to experimental data, excellent results are obtained via computer simulations for the orthobaric densities, the vapor pressure, the equation of state, and the shear viscosity. We analyze the results of the theory and computer simulations for the various thermophysical properties.

  18. Pairing interaction method in crystal field theory

    International Nuclear Information System (INIS)

    Dushin, R.B.

    1989-01-01

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

  19. Developing a Theory-Based Simulation Educator Resource.

    Science.gov (United States)

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

    2015-01-01

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

  20. Reconsidering Schumpeterian opportunities: The contribution of interaction ritual chain theory

    OpenAIRE

    Goss, David

    2007-01-01

    Purpose The purpose of this article is to develop a conceptual framework that recognises the significance of emotional and interactional factors in shaping the development and enactment of entrepreneurial opportunities. Design/methodology/approach Provides a theory development illustrated through a case study based on secondary sources. Findings Demonstrates how emotion and interaction ritual chains can extend the scope of entrepreneurial theorising. Research limitations/...

  1. Reconstruction of Nietzsche’s Theory of Simulation

    Directory of Open Access Journals (Sweden)

    Elizbar Elizbarashvili

    2014-03-01

    Full Text Available The article shows the interior plane of contact of thinking of German philosopher Friedrich Nietzsche and French philosopher Jean Baudrillard. We have formed the metaphor world of Nietzsche and his philosophy and found the common code between these metaphors and philosophic language of the language of the simulation theory by Jean Baudrillard. The decoding and interpretation of the material was made on its basis. As a result, we came to the conclusion that Nietzsche philosophy had the simulation plane before postmodernism and it is possible to reconstruct the simulation theory of his philosophy at the rational level. The article considers the specified mechanisms of Nietzsche simulation theory. Zarathustra personality, the great tempter and connects the mechanisms of faith and courage.

  2. Trait-mediated trophic interactions: is foraging theory keeping up?

    Science.gov (United States)

    Railsback, Steven F; Harvey, Bret C

    2013-02-01

    Many ecologists believe that there is a lack of foraging theory that works in community contexts, for populations of unique individuals each making trade-offs between food and risk that are subject to feedbacks from behavior of others. Such theory is necessary to reproduce the trait-mediated trophic interactions now recognized as widespread and strong. Game theory can address feedbacks but does not provide foraging theory for unique individuals in variable environments. 'State- and prediction-based theory' (SPT) is a new approach that combines existing trade-off methods with routine updating: individuals regularly predict future food availability and risk from current conditions to optimize a fitness measure. SPT can reproduce a variety of realistic foraging behaviors and trait-mediated trophic interactions with feedbacks, even when the environment is unpredictable. Copyright © 2012 Elsevier Ltd. All rights reserved.

  3. Quantum decision-maker theory and simulation

    Science.gov (United States)

    Zak, Michail; Meyers, Ronald E.; Deacon, Keith S.

    2000-07-01

    A quantum device simulating the human decision making process is introduced. It consists of quantum recurrent nets generating stochastic processes which represent the motor dynamics, and of classical neural nets describing the evolution of probabilities of these processes which represent the mental dynamics. The autonomy of the decision making process is achieved by a feedback from the mental to motor dynamics which changes the stochastic matrix based upon the probability distribution. This feedback replaces unavailable external information by an internal knowledge- base stored in the mental model in the form of probability distributions. As a result, the coupled motor-mental dynamics is described by a nonlinear version of Markov chains which can decrease entropy without an external source of information. Applications to common sense based decisions as well as to evolutionary games are discussed. An example exhibiting self-organization is computed using quantum computer simulation. Force on force and mutual aircraft engagements using the quantum decision maker dynamics are considered.

  4. Plasma confinement theory and transport simulation

    International Nuclear Information System (INIS)

    Ross, D.W.

    1993-10-01

    The objectives of the Fusion Research Center Theory Program continue to be: (1) to advance the transport studies of tokamaks, including development and maintenance of the Magnetic Fusion Energy Database; and (2) to provide theoretical interpretation, modeling and equilibrium and stability studies for the TEXT-Upgrade tokamak. Publications and reports and conference presentations for the grant period are listed. Work is described in five basic categories: A. Magnetic Fusion Energy Database; B. Computational Support and Numerical Modeling; C. Support for TEXT-Upgrade and Diagnostics; D. Transport Studies; E. Alfven Waves

  5. Computer simulation of spacecraft/environment interaction

    International Nuclear Information System (INIS)

    Krupnikov, K.K.; Makletsov, A.A.; Mileev, V.N.; Novikov, L.S.; Sinolits, V.V.

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language

  6. Computer simulation of spacecraft/environment interaction

    CERN Document Server

    Krupnikov, K K; Mileev, V N; Novikov, L S; Sinolits, V V

    1999-01-01

    This report presents some examples of a computer simulation of spacecraft interaction with space environment. We analysed a set data on electron and ion fluxes measured in 1991-1994 on geostationary satellite GORIZONT-35. The influence of spacecraft eclipse and device eclipse by solar-cell panel on spacecraft charging was investigated. A simple method was developed for an estimation of spacecraft potentials in LEO. Effects of various particle flux impact and spacecraft orientation are discussed. A computer engineering model for a calculation of space radiation is presented. This model is used as a client/server model with WWW interface, including spacecraft model description and results representation based on the virtual reality markup language.

  7. Theory, modeling, and simulation annual report, 1992

    Energy Technology Data Exchange (ETDEWEB)

    1993-05-01

    This report briefly discusses research on the following topics: development of electronic structure methods; modeling molecular processes in clusters; modeling molecular processes in solution; modeling molecular processes in separations chemistry; modeling interfacial molecular processes; modeling molecular processes in the atmosphere; methods for periodic calculations on solids; chemistry and physics of minerals; graphical user interfaces for computational chemistry codes; visualization and analysis of molecular simulations; integrated computational chemistry environment; and benchmark computations.

  8. Interactive digital narrative history, theory and practice

    CERN Document Server

    Koenitz, Hartmut; Haahr, Mads; Sezen, Digdem; Sezen, Tonguç Ibrahim

    2015-01-01

    The book is concerned with narrative in digital media that changes according to user input-Interactive Digital Narrative (IDN). It provides a broad overview of current issues and future directions in this multi-disciplinary field that includes humanities-based and computational perspectives. It assembles the voices of leading researchers and practitioners like Janet Murray, Marie-Laure Ryan, Scott Rettberg and Martin Rieser. In three sections, it covers history, theoretical perspectives and varieties of practice including narrative game design, with a special focus on changes in the power rela

  9. MSTS - Multiphase Subsurface Transport Simulator theory manual

    International Nuclear Information System (INIS)

    White, M.D.; Nichols, W.E.

    1993-05-01

    The US Department of Energy, through the Yucca Mountain Site Characterization Project Office, has designated the Yucca Mountain site in Nevada for detailed study as the candidate US geologic repository for spent nuclear fuel and high-level radioactive waste. Site characterization will determine the suitability of the Yucca Mountain site for the potential waste repository. If the site is determined suitable, subsequent studies and characterization will be conducted to obtain authorization from the Nuclear Regulatory Commission to construct the potential waste repository. A principal component of the characterization and licensing processes involves numerically predicting the thermal and hydrologic response of the subsurface environment of the Yucca Mountain site to the potential repository over a 10,000-year period. The thermal and hydrologic response of the subsurface environment to the repository is anticipated to include complex processes of countercurrent vapor and liquid migration, multiple-phase heat transfer, multiple-phase transport, and geochemical reactions. Numerical simulators based on mathematical descriptions of these subsurface phenomena are required to make numerical predictions of the thermal and hydrologic response of the Yucca Mountain subsurface environment The engineering simulator called the Multiphase Subsurface Transport Simulator (MSTS) was developed at the request of the Yucca Mountain Site Characterization Project Office to produce numerical predictions of subsurface flow and transport phenomena at the potential Yucca Mountain site. This document delineates the design architecture and describes the specific computational algorithms that compose MSTS. Details for using MSTS and sample problems are given in the open-quotes User's Guide and Referenceclose quotes companion document

  10. Constructing International Relations Simulations: Examining the Pedagogy of IR Simulations through a Constructivist Learning Theory Lens

    Science.gov (United States)

    Asal, Victor; Kratoville, Jayson

    2013-01-01

    Simulations are being used more and more in political science generally and in international relations specifically. While there is a growing body of literature describing different simulations and a small amount of literature that empirically tests the impact of simulations, scholars have written very little linking the pedagogic theory behind…

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

    Science.gov (United States)

    McGaghie, William C; Harris, Ilene B

    2018-06-01

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

  12. Quantized vortices in interacting gauge theories

    International Nuclear Information System (INIS)

    Butera, Salvatore; Valiente, Manuel; Öhberg, Patrik

    2016-01-01

    We consider a two-dimensional weakly interacting ultracold Bose gas whose constituents are two-level atoms. We study the effects of a synthetic density-dependent gauge field that arises from laser–matter coupling in the adiabatic limit with a laser configuration such that the single-particle zeroth-order vector potential corresponds to a constant synthetic magnetic field. We find a new exotic type of current nonlinearity in the Gross–Pitaevskii equation which affects the dynamics of the order parameter of the condensate. We investigate the rotational properties of this system in the Thomas–Fermi limit, focusing in particular on the physical conditions that make the existence of a quantized vortex in the system energetically favourable with respect to the non-rotating solution. We point out that two different physical interpretations can be given to this new nonlinearity: firstly it can be seen as a local modification of the mean field coupling constant, whose value depends on the angular momentum of the condensate. Secondly, it can be interpreted as a density modulated angular velocity given to the cloud. Looking at the problem from both of these viewpoints, we show that the effect of the new nonlinearity is to induce a rotation to the condensate, where the transition from non-rotating to rotating states depends on the density of the cloud. (paper)

  13. Theory of defect interactions in metals

    International Nuclear Information System (INIS)

    Thetford, Roger.

    1989-09-01

    The state relaxation program DEVIL has been updated to use N-body Finnis-Sinclair potentials. Initial calculations of self-interstitial and monovacancy formation energies confirm that the modified program is working correctly. An extra repulsive pair potential (constructed to leave the original fitting unaltered) overcomes some deficiencies in the published Finnis-Sinclair potentials. The modified potentials are used to calculate interstitial energies and relaxation in the b.c.c. transition metals vanadium, niobium, tantalum, molybdenum and tungsten. Further adaptation enables DEVIL to model dislocations running parallel to any lattice vector. Periodic boundary conditions are applied in the direction of the dislocation line, giving an infinite straight dislocation. The energies per unit length of two different dislocations are compared with experiment. A study of migration of point defects in the perfect lattice provides information on the mobility of interstitials and vacancies. The total energy needed to form and migrate an interstitial is compared with that required for a vacancy. The interaction between point defects and dislocations is studied in detail. Binding energies for both self-interstitials and monovacancies at edge dislocations are calculated for the five metals. Formation energies of the point defects in the neighbourhood of the edge dislocation are calculated for niobium, and the extend of the regions from which the defects are spontaneously absorbed are found. (author)

  14. Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions.

    Science.gov (United States)

    Chaudhari, Mangesh I; Rempe, Susan B; Asthagiri, D; Tan, L; Pratt, L R

    2016-03-03

    The role of solute attractive forces on hydrophobic interactions is studied by coordinated development of theory and simulation results for Ar atoms in water. We present a concise derivation of the local molecular field (LMF) theory for the effects of solute attractive forces on hydrophobic interactions, a derivation that clarifies the close relation of LMF theory to the EXP approximation applied to this problem long ago. The simulation results show that change from purely repulsive atomic solute interactions to include realistic attractive interactions diminishes the strength of hydrophobic bonds. For the Ar-Ar rdfs considered pointwise, the numerical results for the effects of solute attractive forces on hydrophobic interactions are opposite in sign and larger in magnitude than predicted by LMF theory. That comparison is discussed from the point of view of quasichemical theory, and it is suggested that the first reason for this difference is the incomplete evaluation within LMF theory of the hydration energy of the Ar pair. With a recent suggestion for the system-size extrapolation of the required correlation function integrals, the Ar-Ar rdfs permit evaluation of osmotic second virial coefficients B2. Those B2's also show that incorporation of attractive interactions leads to more positive (repulsive) values. With attractive interactions in play, B2 can change from positive to negative values with increasing temperatures. This is consistent with the puzzling suggestions of decades ago that B2 ≈ 0 for intermediate cases of temperature or solute size. In all cases here, B2 becomes more attractive with increasing temperature.

  15. In search for the unified theory of fundamental interactions

    International Nuclear Information System (INIS)

    Ansel'm, A.A.

    1980-01-01

    The problem of developing the unified theory of fundamental interactions is considered in a popular form. The fundamental interactions include interactions between really elementary particles (quarks and leptons) which are performed by strong, weak, electromagnetic and gravitational forces. The unified theory is based on the requirement of ''Local symmetry''. The problem on invariance of strong interaction theory to local isotopic transformation was proposed for the first time by Yang and Mills, who introduced fields, called compensating (they compensate additional members in the theory equations, appearing during local transformations) Quanta of these fields (calibrating bosons) are massless particles with a spin, equal to one. The bosons should have the mass different from zero in order to be the carriers of real strong and weak interactions. At present there exist two mechanisms, due to which the mentioned controdiction can be overcome. One of these mechanisms - spontaneous symmetry distortion, the other mechanism - ''non-escape'', or ''captivity'' of the particles. The main ideas of building the realistic model of strong interaction are briefly presented

  16. Crossover from equilibration to aging: Nonequilibrium theory versus simulations.

    Science.gov (United States)

    Mendoza-Méndez, P; Lázaro-Lázaro, E; Sánchez-Díaz, L E; Ramírez-González, P E; Pérez-Ángel, G; Medina-Noyola, M

    2017-08-01

    Understanding glasses and the glass transition requires comprehending the nature of the crossover from the ergodic (or equilibrium) regime, in which the stationary properties of the system have no history dependence, to the mysterious glass transition region, where the measured properties are nonstationary and depend on the protocol of preparation. In this work we use nonequilibrium molecular dynamics simulations to test the main features of the crossover predicted by the molecular version of the recently developed multicomponent nonequilibrium self-consistent generalized Langevin equation theory. According to this theory, the glass transition involves the abrupt passage from the ordinary pattern of full equilibration to the aging scenario characteristic of glass-forming liquids. The same theory explains that this abrupt transition will always be observed as a blurred crossover due to the unavoidable finiteness of the time window of any experimental observation. We find that within their finite waiting-time window, the simulations confirm the general trends predicted by the theory.

  17. Singular perturbation theory for interacting fermions in two dimensions

    International Nuclear Information System (INIS)

    Chubukov, A.V.; Maslov, D.L.; Gangadharaiah, S.; Glazman, L.I.

    2004-11-01

    We consider a system of interacting fermions in two dimensions beyond the second-order perturbation theory in the interaction. It is shown that the mass-shell singularities in the self-energy, arising already at the second order of the perturbation theory, manifest a nonperturbative effect: an interaction with the zero-sound mode. Resuming the perturbation theory for a weak, short-range interaction and accounting for a finite curvature of the fermion spectrum, we eliminate the singularities and obtain the results for the quasi-particle self-energy and the spectral function to all orders in the interaction with the zero-sound mode. A threshold for emission of zero-sound waves leads a non-monotonic variation of the self-energy with energy (or momentum) near the mass shell. Consequently, the spectral function has a kink-like feature. We also study in detail a non-analytic temperature dependence of the specific heat, C(T) ∝T 2 . It turns out that although the interaction with the collective mode results in an enhancement of the fermion self-energy, this interaction does not affect the non-analytic term in C(T) due to a subtle cancellation between the contributions from the real and imaginary parts of the self-energy. For a short-range and weak interaction, this implies that the second-order perturbation theory suffices to determine the non-analytic part of C(T). We also obtain a general form of the non-analytic term in C(T), valid for the case of a generic Fermi liquid, i.e., beyond the perturbation theory. (author)

  18. Weak turbulence theory for beam-plasma interaction

    Science.gov (United States)

    Yoon, Peter H.

    2018-01-01

    The kinetic theory of weak plasma turbulence, of which Ronald C. Davidson was an important early pioneer [R. C. Davidson, Methods in Nonlinear Plasma Theory, (Academic Press, New York, 1972)], is a venerable and valid theory that may be applicable to a large number of problems in both laboratory and space plasmas. This paper applies the weak turbulence theory to the problem of gentle beam-plasma interaction and Langmuir turbulence. It is shown that the beam-plasma interaction undergoes various stages of physical processes starting from linear instability, to quasilinear saturation, to mode coupling that takes place after the quasilinear stage, followed by a state of quasi-static "turbulent equilibrium." The long term quasi-equilibrium stage is eventually perturbed by binary collisional effects in order to bring the plasma to a thermodynamic equilibrium with increased entropy.

  19. Three-dimensional theory for light-matter interaction

    DEFF Research Database (Denmark)

    Sørensen, Martin Westring; Sørensen, Anders Søndberg

    2008-01-01

    We present a full quantum mechanical three dimensional theory describing an electromagnetic field interacting with an ensemble of identical atoms. The theory is constructed such that it describes recent experiments on light-matter quantum interfaces, where the quantum fluctuations of light...... to a dressed state picture, where the light modes are solutions to the diffraction problem, and develop a perturbative expansion in the fluctuations. The fluctuations are due to quantum fluctuations as well as the random positions of the atoms. In this perturbative expansion we show how the quantum...... fluctuations are mapped between atoms and light while the random positioning of the atoms give rise to decay due to spontaneous emission. Furthermore we identify limits, where the full three dimensional theory reduce to the one dimensional theory typically used to describe the interaction....

  20. Effective field theory of interactions on the lattice

    DEFF Research Database (Denmark)

    Valiente, Manuel; Zinner, Nikolaj T.

    2015-01-01

    We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling consta...... constants. Our method constitutes a very simple avenue for the systematic renormalization in effective field theory, and is especially useful as the number of interaction parameters increases.......We consider renormalization of effective field theory interactions by discretizing the continuum on a tight-binding lattice. After studying the one-dimensional problem, we address s-wave collisions in three dimensions and relate the bare lattice coupling constants to the continuum coupling...

  1. Reionization and Cosmic Dawn: theory and simulations

    Science.gov (United States)

    Mesinger, Andrei

    2018-05-01

    We highlight recent progress in the sophistication and diversification of the simulations of cosmic dawn and reionization. The application of these modeling tools to recent observations has allowed us narrow down the timing of reionization. The midpoint of reionization is constrained to z = 7.6-0.7+0.8 (1 σ), with the strongest constraints coming from the optical depth to the CMB measured with the Planck satellite and the first detection of ongoing reionization from the spectra of the z = 7.1 QSOs ULASJ1120+0641. However, we still know virtually nothing about the astrophysical sources during the first billion years. The revolution in our understanding will be led by upcoming interferometric observations of the cosmic 21-cm signal. The properties of the sources and sinks of UV and X-ray photons are encoded in the 3D patterns of the signal. The development of Bayesian parameter recovery techniques, which tap into the wealth of the 21-cm signal, will soon usher in an era of precision astrophysical cosmology.

  2. Nucleic acids: theory and computer simulation, Y2K.

    Science.gov (United States)

    Beveridge, D L; McConnell, K J

    2000-04-01

    Molecular dynamics simulations on DNA and RNA that include solvent are now being performed under realistic environmental conditions of water activity and salt. Improvements to force-fields and treatments of long-range interactions have significantly increased the reliability of simulations. New studies of sequence effects, axis bending, solvation and conformational transitions have appeared.

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

    DEFF Research Database (Denmark)

    Jessen, Jari Due; Jessen, Carsten

    2014-01-01

    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......, and by doing so they create in humans what in modern play theory is known as a “state of play”...

  4. QCD : the theory of strong interactions Conference MT17

    CERN Multimedia

    2001-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD), predicts that the strong interaction is transmitted by the exchange of particles called gluons. Unlike the messengers of electromagnetism photons, which are electrically neutral - gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies. LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

  5. Linear response theory of activated surface diffusion with interacting adsorbates

    Energy Technology Data Exchange (ETDEWEB)

    Marti' nez-Casado, R. [Department of Chemistry, Imperial College London, South Kensington, London SW7 2AZ (United Kingdom); Sanz, A.S.; Vega, J.L. [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain); Rojas-Lorenzo, G. [Instituto Superior de Tecnologi' as y Ciencias Aplicadas, Ave. Salvador Allende, esq. Luaces, 10400 La Habana (Cuba); Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain); Miret-Artes, S., E-mail: s.miret@imaff.cfmac.csic.es [Instituto de Fi' sica Fundamental, Consejo Superior de Investigaciones Cienti' ficas, Serrano 123, 28006 Madrid (Spain)

    2010-05-12

    Graphical abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed. - Abstract: Activated surface diffusion with interacting adsorbates is analyzed within the Linear Response Theory framework. The so-called interacting single adsorbate model is justified by means of a two-bath model, where one harmonic bath takes into account the interaction with the surface phonons, while the other one describes the surface coverage, this leading to defining a collisional friction. Here, the corresponding theory is applied to simple systems, such as diffusion on flat surfaces and the frustrated translational motion in a harmonic potential. Classical and quantum closed formulas are obtained. Furthermore, a more realistic problem, such as atomic Na diffusion on the corrugated Cu(0 0 1) surface, is presented and discussed within the classical context as well as within the framework of Kramer's theory. Quantum corrections to the classical results are also analyzed and discussed.

  6. Theory of compressive modeling and simulation

    Science.gov (United States)

    Szu, Harold; Cha, Jae; Espinola, Richard L.; Krapels, Keith

    2013-05-01

    Modeling and Simulation (M&S) has been evolving along two general directions: (i) data-rich approach suffering the curse of dimensionality and (ii) equation-rich approach suffering computing power and turnaround time. We suggest a third approach. We call it (iii) compressive M&S (CM&S); because the basic Minimum Free-Helmholtz Energy (MFE) facilitating CM&S can reproduce and generalize Candes, Romberg, Tao & Donoho (CRT&D) Compressive Sensing (CS) paradigm as a linear Lagrange Constraint Neural network (LCNN) algorithm. CM&S based MFE can generalize LCNN to 2nd order as Nonlinear augmented LCNN. For example, during the sunset, we can avoid a reddish bias of sunlight illumination due to a long-range Rayleigh scattering over the horizon. With CM&S we can take instead of day camera, a night vision camera. We decomposed long wave infrared (LWIR) band with filter into 2 vector components (8~10μm and 10~12μm) and used LCNN to find pixel by pixel the map of Emissive-Equivalent Planck Radiation Sources (EPRS). Then, we up-shifted consistently, according to de-mixed sources map, to the sub-micron RGB color image. Moreover, the night vision imaging can also be down-shifted at Passive Millimeter Wave (PMMW) imaging, suffering less blur owing to dusty smokes scattering and enjoying apparent smoothness of surface reflectivity of man-made objects under the Rayleigh resolution. One loses three orders of magnitudes in the spatial Rayleigh resolution; but gains two orders of magnitude in the reflectivity, and gains another two orders in the propagation without obscuring smog . Since CM&S can generate missing data and hard to get dynamic transients, CM&S can reduce unnecessary measurements and their associated cost and computing in the sense of super-saving CS: measuring one & getting one's neighborhood free .

  7. The quest of a unified theory of interactions

    International Nuclear Information System (INIS)

    Weingerg, St.; Hawking, St.; Mlodinow, L.; Lisi, G.; Weatherall, J.

    2011-01-01

    The unification of the 4 basic interactions is far from being achieved despite all the efforts made during decades. One theory states that unification is not possible unless to have the point of view of an observer outside the universe...This document is composed of 3 articles. In the first article, stakes, difficulties and the existing research axis of unification are presented. The second article is dedicated to the string theory that is the most promising according to scientists. In fact there are 5 string theories, each one explaining a limited range of phenomena. Nevertheless, string theories share common concepts called dualities, which made physicists think of a unique theory: the M theory that might lie behind the string theories. The third article presents a recent attempt of unification based on the E8 Lie group. Even if this E8 theory appears to be wrong, it will have shed light on deep geometrical relationships between particles that the real theory will have to explain. (A.C.)

  8. Fundamental Elements and Interactions of Nature: A Classical Unification Theory

    Directory of Open Access Journals (Sweden)

    Tianxi Zhang

    2010-04-01

    Full Text Available A classical unification theory that completely unifies all the fundamental interactions of nature is developed. First, the nature is suggested to be composed of the following four fundamental elements: mass, radiation, electric charge, and color charge. All known types of matter or particles are a combination of one or more of the four fundamental elements. Photons are radiation; neutrons have only mass; protons have both mass and electric charge; and quarks contain mass, electric charge, and color charge. The nature fundamental interactions are interactions among these nature fundamental elements. Mass and radiation are two forms of real energy. Electric and color charges are considered as two forms of imaginary energy. All the fundamental interactions of nature are therefore unified as a single interaction between complex energies. The interaction between real energies is the gravitational force, which has three types: mass-mass, mass-radiation, and radiation-radiation interactions. Calculating the work done by the mass-radiation interaction on a photon derives the Einsteinian gravitational redshift. Calculating the work done on a photon by the radiation-radiation interaction derives a radiation redshift, which is much smaller than the gravitational redshift. The interaction between imaginary energies is the electromagnetic (between electric charges, weak (between electric and color charges, and strong (between color charges interactions. In addition, we have four imaginary forces between real and imaginary energies, which are mass-electric charge, radiation-electric charge, mass-color charge, and radiation-color charge interactions. Among the four fundamental elements, there are ten (six real and four imaginary fundamental interactions. This classical unification theory deepens our understanding of the nature fundamental elements and interactions, develops a new concept of imaginary energy for electric and color charges, and provides a

  9. Combining Interactive Thermodynamics Simulations with Screencasts and Conceptests

    Science.gov (United States)

    Falconer, John L.

    2016-01-01

    More than 40 interactive "Mathematica" simulations were prepared for chemical engineering thermodynamics, screencasts were prepared that explain how to use each simulation, and more than 100 ConcepTests were prepared that utilize the simulations. They are located on www.LearnChemE.com. The purposes of these simulations are to clarify…

  10. A general sensitivity theory for simulations of nonlinear systems

    International Nuclear Information System (INIS)

    Kenton, M.A.

    1981-01-01

    A general sensitivity theory is developed for nonlinear lumped-parameter system simulations. The point-of-departure is general perturbation theory, which has long been used for linear systems in nuclear engineering and reactor physics. The theory allows the sensitivity of particular figures-of-merit of the system behavior to be calculated with respect to any parameter.An explicit procedure is derived for applying the theory to physical systems undergoing sudden events (e.g., reactor scrams, tank ruptures). A related problem, treating figures-of-merit defined as functions of extremal values of system variables occurring at sudden events, is handled by the same procedure. The general calculational scheme for applying the theory to numerical codes is discussed. It is shown that codes which use pre-packaged implicit integration subroutines can be augmented to include sensitivity theory: a companion set of subroutines to solve the sensitivity problem is listed. This combined system analysis code is applied to a simple model for loss of post-accident heat removal in a liquid metal-cooled fast breeder reactor. The uses of the theory for answering more general sensitivity questions are discussed. One application of the theory is to systematically determine whether specific physical processes in a model contribute significantly to the figures-of-merit. Another application of the theory is for selecting parameter values which enable a model to match experimentally observed behavior

  11. Fundamental Elements and Interactions of Nature: A Classical Unification Theory

    Directory of Open Access Journals (Sweden)

    Zhang T. X.

    2010-04-01

    Full Text Available A classical unification theory that completely unifies all the fundamental interactions of nature is developed. First, the nature is suggested to be composed of the following four fundamental elements: mass, radiation, electric charge, and color charge. All known types of matter or particles are a combination of one or more of the four fundamental elements. Photons are radiation; neutrons have only mass; protons have both mass and electric charge; and quarks contain mass, electric charge, and color charge. The nature fundamental interactions are interactions among these nature fundamental elements. Mass and radiation are two forms of real energy. Electric and color charges are con- sidered as two forms of imaginary energy. All the fundamental interactions of nature are therefore unified as a single interaction between complex energies. The interac- tion between real energies is the gravitational force, which has three types: mass-mass, mass-radiation, and radiation-radiation interactions. Calculating the work done by the mass-radiation interaction on a photon derives the Einsteinian gravitational redshift. Calculating the work done on a photon by the radiation-radiation interaction derives a radiation redshift, which is much smaller than the gravitational redshift. The interaction between imaginary energies is the electromagnetic (between electric charges, weak (between electric and color charges, and strong (between color charges interactions. In addition, we have four imaginary forces between real and imaginary energies, which are mass-electric charge, radiation-electric charge, mass-color charge, and radiation- color charge interactions. Among the four fundamental elements, there are ten (six real and four imaginary fundamental interactions. This classical unification theory deep- ens our understanding of the nature fundamental elements and interactions, develops a new concept of imaginary energy for electric and color charges, and provides a

  12. Theories of the eta-meson-nucleus interaction

    International Nuclear Information System (INIS)

    Liu, L.C.

    1994-01-01

    It is sown that the pion-nucleon elastic scattering, eta-nucleon scattering length and the cross sections for pion-induced eta production on a nucleon satisfy a set of consistency relations. These relations are used to examine the ηN scattering lengths given by the various models. The nature of the threshold ηN interaction is discussed and recent advancements in ηN interaction is discussed and recent advancements in η-nucleus reaction theory are reviewed

  13. Polarization asymmetries and gauge theory interactions at short distances

    International Nuclear Information System (INIS)

    Craigie, N.S.

    1983-01-01

    In this talk, we give the arguments as to why spin asymmetries test fundamental properties of the underlying gauge theories of elementary particles, concentrating mainly on electro-weak and QCD interactions, but also looking at the future and possible signatures for supersymmetric strong interactions. We also mention briefly the role helicity asymmetry measurements can play as regards higher order corrections, including higher twist, in QCD. (orig./HSI)

  14. Relativistic mechanics of two interacting particles and bilocal theory

    International Nuclear Information System (INIS)

    Takabayasi, Takehiko

    1975-01-01

    New relativistic mechanics of two-particle system is set forth, where the two constituent particles are interacting by an arbitrary (central) action-at-a-distance. The fundamental equations are presented in a form covariant under general transformation of parameters parametrizing the world lines of constituent particles. The theory represents the proper relativistic generalization of the usual Newtonian mechanics in the sense that it tends in the non-relativistic (and weak interaction) limit to the usual mechanics of two particles moving under a corresponding non-relativistic potential. For the analysis of theory it is convenient to choose a certain particular gauge (i.e., parametrization) fixed by two gauge relations. This brings the theory to a canonical formalism accompanied by two weak equations, and in this gauge quantization can be performed. The result verifies that the relativistic quantum mechanics for two particles interacting by an action-at-a-distance is just represented by a bilocal wave equation and a subsidiary condition, with the clarification of its correspondence-theoretical foundation and internal dynamics. As an example the case of Hooke-type force is illustrated, where the internal motions are elliptic oscillations in the center-of-mass frame. Its quantum theory just reproduces the original form of bilocal theory giving bound states lying on a straightly rising trajectory and on its daughter trajectories. (auth.)

  15. Thermodynamic Models from Fluctuation Solution Theory Analysis of Molecular Simulations

    DEFF Research Database (Denmark)

    Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing

    2007-01-01

    Fluctuation solution theory (FST) is employed to analyze results of molecular dynamics (MD) simulations of liquid mixtures. The objective is to generate parameters for macroscopic GE-models, here the modified Margules model. We present a strategy for choosing the number of parameters included...

  16. Self-interaction corrections in density functional theory

    International Nuclear Information System (INIS)

    Tsuneda, Takao; Hirao, Kimihiko

    2014-01-01

    Self-interaction corrections for Kohn-Sham density functional theory are reviewed for their physical meanings, formulations, and applications. The self-interaction corrections get rid of the self-interaction error, which is the sum of the Coulomb and exchange self-interactions that remains because of the use of an approximate exchange functional. The most frequently used self-interaction correction is the Perdew-Zunger correction. However, this correction leads to instabilities in the electronic state calculations of molecules. To avoid these instabilities, several self-interaction corrections have been developed on the basis of the characteristic behaviors of self-interacting electrons, which have no two-electron interactions. These include the von Weizsäcker kinetic energy and long-range (far-from-nucleus) asymptotic correction. Applications of self-interaction corrections have shown that the self-interaction error has a serious effect on the states of core electrons, but it has a smaller than expected effect on valence electrons. This finding is supported by the fact that the distribution of self-interacting electrons indicates that they are near atomic nuclei rather than in chemical bonds

  17. Aspects of statistical spectroscopy relevant to effective-interaction theory

    International Nuclear Information System (INIS)

    French, J.B.

    1975-01-01

    The three aspects of statistical spectroscopy discussed in this paper are the information content of complex spectra: procedures for spectroscopy in huge model spaces, useful in effective-interaction theory; and practical ways of identifying and calculating measurable parameters of the effective Hamiltonian and other operators, and of comparing different effective Hamiltonians. (4 figures) (U.S.)

  18. Discriminative deep inelastic tests of strong interaction field theories

    International Nuclear Information System (INIS)

    Glueck, M.; Reya, E.

    1979-02-01

    It is demonstrated that recent measurements of ∫ 0 1 F 2 (x, Q 2 )dx eliminate already all strong interaction field theories except QCD. A detailed study of scaling violations of F 2 (x, Q 2 ) in QCD shows their insensitivity to the gluon content of the hadron at presently measured values of Q 2 . (orig.) [de

  19. Early history of gauge theories and weak interactions

    Energy Technology Data Exchange (ETDEWEB)

    Straumann, N [Zurich Univ. (Switzerland). Inst. fuer Theoretische Physik

    1996-11-01

    The paper deals with Weyl`s attempt to unify gravitation and electromagnetism, Weyl`s 1929 classic `Electron and gravitation`, Yang-Mills theory, parity violation and 2-component neutrino, chiral invariance and universal V-A interaction. 3 figs., 38 refs.

  20. Theory and simulation of epitaxial rotation. Light particles adsorbed on graphite

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise to frustra...... found a modulated 4 x 4 structure. Energy, structure-factor intensities, peak positions, and epitaxial rotation angles as a function of temperature and coverage have been determined from the simulations. Good agreement with theory and experimental data is found.......We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise...... between the commensurate and incommensurate phase for the adsorbed systems. From our simulations and our theory, we are, able to understand the gamma phase of D2 as an ordered phase stabilized by disorder. It can be described as a 2q-modulated structure. In agreement with the experiments, we have also...

  1. Problems of the π meson-nucleus interaction theory

    International Nuclear Information System (INIS)

    Kopaleishvili, T.I.

    1984-01-01

    The theory of multiple scattering as applied to PI-meson scattering on nuclei is outlined on the base of optical potential method: first in neglecting the real absorption of a pion by a nucleus and then for the case when this effect is taken into account. The pion interaction with a deuteron is considered both neglecting the pion absorption channel (the relativisitic problem of three bodies) and with account of the absorption channels and pion emission (in this case the problem is solved within the frames of the channel coupling theory for the pion-two nucleus system and the system of two nucleons). Approximate or model solutions to the problem of elastic pion-nuclear scattering primarily in the range of (3.3)-resonance are presented. The formulated theory permits to uniquely describe the observed processes caused by the strong pion interaction with a two-nucleon system

  2. Quantum Monte Carlo calculations with chiral effective field theory interactions

    Energy Technology Data Exchange (ETDEWEB)

    Tews, Ingo

    2015-10-12

    The neutron-matter equation of state connects several physical systems over a wide density range, from cold atomic gases in the unitary limit at low densities, to neutron-rich nuclei at intermediate densities, up to neutron stars which reach supranuclear densities in their core. An accurate description of the neutron-matter equation of state is therefore crucial to describe these systems. To calculate the neutron-matter equation of state reliably, precise many-body methods in combination with a systematic theory for nuclear forces are needed. Chiral effective field theory (EFT) is such a theory. It provides a systematic framework for the description of low-energy hadronic interactions and enables calculations with controlled theoretical uncertainties. Chiral EFT makes use of a momentum-space expansion of nuclear forces based on the symmetries of Quantum Chromodynamics, which is the fundamental theory of strong interactions. In chiral EFT, the description of nuclear forces can be systematically improved by going to higher orders in the chiral expansion. On the other hand, continuum Quantum Monte Carlo (QMC) methods are among the most precise many-body methods available to study strongly interacting systems at finite densities. They treat the Schroedinger equation as a diffusion equation in imaginary time and project out the ground-state wave function of the system starting from a trial wave function by propagating the system in imaginary time. To perform this propagation, continuum QMC methods require as input local interactions. However, chiral EFT, which is naturally formulated in momentum space, contains several sources of nonlocality. In this Thesis, we show how to construct local chiral two-nucleon (NN) and three-nucleon (3N) interactions and discuss results of first QMC calculations for pure neutron systems. We have performed systematic auxiliary-field diffusion Monte Carlo (AFDMC) calculations for neutron matter using local chiral NN interactions. By

  3. QCD : the theory of strong interactions Exhibition LEPFest 2000

    CERN Multimedia

    2000-01-01

    The theory of strong interactions,Quantum Chromodynamics (QCD),predicts that the strong interac- tion is transmitted by the exchange of particles called glu- ons.Unlike the messengers of electromagnetism -pho- tons,which are electrically neutral -gluons carry a strong charge associated with the interaction they mediate. QCD predicts that the strength of the interaction between quarks and gluons becomes weaker at higher energies.LEP has measured the evolution of the strong coupling constant up to energies of 200 GeV and has confirmed this prediction.

  4. Lagrangian model of conformal invariant interacting quantum field theory

    International Nuclear Information System (INIS)

    Lukierski, J.

    1976-01-01

    A Lagrangian model of conformal invariant interacting quantum field theory is presented. The interacting Lagrangian and free Lagrangian are derived replacing the canonical field phi by the field operator PHIsub(d)sup(c) and introducing the conformal-invariant interaction Lagrangian. It is suggested that in the conformal-invariant QFT with the dimensionality αsub(B) obtained from the bootstrep equation, the normalization constant c of the propagator and the coupling parametery do not necessarily need to satisfy the relation xsub(B) = phi 2 c 3

  5. Spectator interactions in soft-collinear effective theory

    International Nuclear Information System (INIS)

    Hill, Richard J.; Neubert, Matthias

    2003-01-01

    Soft-collinear effective theory is generalized to include soft massless quarks in addition to collinear fields. This extension is necessary for the treatment of interactions with the soft spectator quark in a heavy meson. The power counting of the relevant fields and the construction of the effective Lagrangian are discussed at leading order in Λ/m b . Several novel effects occur in the matching of full-theory amplitudes onto effective-theory operators containing soft light quarks, such as the appearance of an intermediate mass scale and large non-localities of operators on scales of order 1/Λ. Important examples of effective-theory operators with soft light quarks are studied and their renormalization properties explored. The formalism presented here forms the basis for a systematic analysis of factorization and power corrections for any exclusive B-meson decay into light particles

  6. Spectator Interactions in Soft-Collinear Effective Theory

    International Nuclear Information System (INIS)

    Hill, Richard J

    2002-01-01

    Soft-collinear effective theory is generalized to include soft massless quarks in addition to collinear fields. This extension is necessary for the treatment of interactions with the soft spectator quark in a heavy meson. The power counting of the relevant fields and the construction of the effective Lagrangian are discussed at leading order in Λ/m b . Several novel effects occur in the matching of full-theory amplitudes onto effective-theory operators containing soft light quarks, such as the appearance of an intermediate mass scale and large non-localities of operators on scales of order 1/Λ. Important examples of effective-theory operators with soft light quarks are studied and their renormalization properties explored. The formalism presented here forms the basis for a systematic analysis of factorization and power corrections for any exclusive B-meson decay into light particles

  7. Spin and orbital exchange interactions from Dynamical Mean Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Secchi, A., E-mail: a.secchi@science.ru.nl [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands); Lichtenstein, A.I., E-mail: alichten@physnet.uni-hamburg.de [Universitat Hamburg, Institut für Theoretische Physik, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I., E-mail: m.katsnelson@science.ru.nl [Radboud University, Institute for Molecules and Materials, 6525 AJ Nijmegen (Netherlands)

    2016-02-15

    We derive a set of equations expressing the parameters of the magnetic interactions characterizing a strongly correlated electronic system in terms of single-electron Green's functions and self-energies. This allows to establish a mapping between the initial electronic system and a spin model including up to quadratic interactions between the effective spins, with a general interaction (exchange) tensor that accounts for anisotropic exchange, Dzyaloshinskii–Moriya interaction and other symmetric terms such as dipole–dipole interaction. We present the formulas in a format that can be used for computations via Dynamical Mean Field Theory algorithms. - Highlights: • We give formulas for the exchange interaction tensor in strongly correlated systems. • Interactions are written in terms of electronic Green's functions and self-energies. • The method is suitable for a Dynamical Mean Field Theory implementation. • No quenching of the orbital magnetic moments is assumed. • Spin and orbital contributions to magnetism can be computed separately.

  8. Interaction of Caffeine Molecular Associates with Water: Theory and Experiment

    OpenAIRE

    Shestopalova, Anna V.

    1990-01-01

    Results of a Monte Carlo simulation of the association process of caffeine (1,3,7-trimethyl-2,6-dioxipurine) in water are presented. Simulation was performed in a cluster approximation ; the system contained 200 water molecules. The nature of the stabilization of caffeine stacking associates in water was considered. Hydrophobic behaviour of methyl group s during association of caffeine molecules in water is shown. The peculiarity of interaction of caffeine associates with wa...

  9. Interacting open Wilson lines from noncommutative field theories

    International Nuclear Information System (INIS)

    Kiem, Youngjai; Lee, Sangmin; Rey, Soo-Jong; Sato, Haru-Tada

    2002-01-01

    In noncommutative field theories, it is known that the one-loop effective action describes the propagation of noninteracting open Wilson lines, obeying the flying dipole's relation. We show that the two-loop effective action describes the cubic interaction among 'closed string' states created by open Wilson line operators. Taking d-dimensional λ[Φ 3 ] * theory as the simplest setup, we compute the nonplanar contribution at a low-energy and large noncommutativity limit. We find that the contribution is expressible in a remarkably simple cubic interaction involving scalar open Wilson lines only and nothing else. We show that the interaction is purely geometrical and noncommutative in nature, depending only on the size of each open Wilson line

  10. Mapping Cultural Frame Shifting in Interaction Design with Blending Theory

    DEFF Research Database (Denmark)

    Markussen, Thomas; Krogh, Peter Gall

    2008-01-01

    In this paper, we introduce Gilles Fauconnier & Mark Turner's blending theory as a new conceptual framework for explaining ‘cultural frame shifting' in interaction design. Cultural frame shifting is when people, through their explorative use of technology, are required imaginatively to reorganize...... their cultural background knowledge and expectations. In current HCI research it has occasionally been pointed out that a proper understanding of this phenomenon hinges on addressing the relationship between embodied interaction and cultural meaning construction as part of a larger interactive system. However...... the network model of mental spaces from Fauconnier & Turner's blending theory onto video material and interviews from initial qualitative use studies of a design case. In so doing we explore and argue for how meaning formation and embodied cognition coalesce in cultural frame shifting and provide a tool...

  11. Organisational learning via Interactive Process Simulation in AGE

    NARCIS (Netherlands)

    Szirbik, N. B.; Roest, G. B.; Sklenar, J; Tanguy, A; Bertelle, C; Fortino, G

    2007-01-01

    In this paper, the concept of Interactive Process Simulation is introduced as a specialisation of Business Gaming. A specific gaming and agent development framework, based oil interactive simulation and a specific modelling langauge, is shortly presented. The concepts of the language are explained

  12. Web-based Interactive Simulator for Rotating Machinery.

    Science.gov (United States)

    Sirohi, Vijayalaxmi

    1999-01-01

    Baroma (Balance of Rotating Machinery), the Web-based educational engineering interactive software for teaching/learning combines didactical and software ergonomical approaches. The software in tutorial form simulates a problem using Visual Interactive Simulation in graphic display, and animation is brought about through graphical user interface…

  13. Simulated galaxy interactions as probes of merger spectral energy distributions

    Energy Technology Data Exchange (ETDEWEB)

    Lanz, Lauranne; Zezas, Andreas; Smith, Howard A.; Ashby, Matthew L. N.; Fazio, Giovanni G.; Hernquist, Lars [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Hayward, Christopher C. [Heidelberger Institut für Theoretische Studien, Schloss-Wolfsbrunnenweg 35, D-69118 Heidelberg (Germany); Brassington, Nicola, E-mail: llanz@ipac.caltech.edu [School of Physics, Astronomy and Mathematics, University of Hertfordshire, College Lane, Hatfield, AL10 9AB (United Kingdom)

    2014-04-10

    We present the first systematic comparison of ultraviolet-millimeter spectral energy distributions (SEDs) of observed and simulated interacting galaxies. Our sample is drawn from the Spitzer Interacting Galaxy Survey and probes a range of galaxy interaction parameters. We use 31 galaxies in 14 systems which have been observed with Herschel, Spitzer, GALEX, and 2MASS. We create a suite of GADGET-3 hydrodynamic simulations of isolated and interacting galaxies with stellar masses comparable to those in our sample of interacting galaxies. Photometry for the simulated systems is then calculated with the SUNRISE radiative transfer code for comparison with the observed systems. For most of the observed systems, one or more of the simulated SEDs match reasonably well. The best matches recover the infrared luminosity and the star formation rate of the observed systems, and the more massive systems preferentially match SEDs from simulations of more massive galaxies. The most morphologically distorted systems in our sample are best matched to the simulated SEDs that are close to coalescence, while less evolved systems match well with the SEDs over a wide range of interaction stages, suggesting that an SED alone is insufficient for identifying the interaction stage except during the most active phases in strongly interacting systems. This result is supported by our finding that the SEDs calculated for simulated systems vary little over the interaction sequence.

  14. Quantum chemistry simulation on quantum computers: theories and experiments.

    Science.gov (United States)

    Lu, Dawei; Xu, Boruo; Xu, Nanyang; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

    2012-07-14

    It has been claimed that quantum computers can mimic quantum systems efficiently in the polynomial scale. Traditionally, those simulations are carried out numerically on classical computers, which are inevitably confronted with the exponential growth of required resources, with the increasing size of quantum systems. Quantum computers avoid this problem, and thus provide a possible solution for large quantum systems. In this paper, we first discuss the ideas of quantum simulation, the background of quantum simulators, their categories, and the development in both theories and experiments. We then present a brief introduction to quantum chemistry evaluated via classical computers followed by typical procedures of quantum simulation towards quantum chemistry. Reviewed are not only theoretical proposals but also proof-of-principle experimental implementations, via a small quantum computer, which include the evaluation of the static molecular eigenenergy and the simulation of chemical reaction dynamics. Although the experimental development is still behind the theory, we give prospects and suggestions for future experiments. We anticipate that in the near future quantum simulation will become a powerful tool for quantum chemistry over classical computations.

  15. Teachers' Beliefs and Their Intention to Use Interactive Simulations in Their Classrooms

    Science.gov (United States)

    Kriek, Jeanne; Stols, Gerrit

    2010-01-01

    In this pilot study, we sought to examine the influence of the beliefs of Grade 10 to 12 physical science teachers on their intended and actual usage of interactive simulations (Physics Education Technology, or PhET) in their classrooms. A combination of the Theory of Planned Behaviour, the Technology Acceptance Model and the Innovation Diffusion…

  16. Validation of Multibody Program to Optimize Simulated Trajectories II Parachute Simulation with Interacting Forces

    Science.gov (United States)

    Raiszadeh, Behzad; Queen, Eric M.; Hotchko, Nathaniel J.

    2009-01-01

    A capability to simulate trajectories of multiple interacting rigid bodies has been developed, tested and validated. This capability uses the Program to Optimize Simulated Trajectories II (POST 2). The standard version of POST 2 allows trajectory simulation of multiple bodies without force interaction. In the current implementation, the force interaction between the parachute and the suspended bodies has been modeled using flexible lines, allowing accurate trajectory simulation of the individual bodies in flight. The POST 2 multibody capability is intended to be general purpose and applicable to any parachute entry trajectory simulation. This research paper explains the motivation for multibody parachute simulation, discusses implementation methods, and presents validation of this capability.

  17. Topological symmetry breaking of self-interacting fractional Klein-Gordon field theories on toroidal spacetime

    International Nuclear Information System (INIS)

    Lim, S C; Teo, L P

    2008-01-01

    Quartic self-interacting fractional Klein-Gordon scalar massive and massless field theories on toroidal spacetime are studied. The effective potential and topologically generated mass are determined using zeta-function regularization technique. Renormalization of these quantities are derived. Conditions for symmetry breaking are obtained analytically. Simulations are carried out to illustrate regions or values of compactified dimensions where symmetry-breaking mechanisms appear

  18. Neoclassical theory of electromagnetic interactions a single theory for macroscopic and microscopic scales

    CERN Document Server

    Babin, Anatoli

    2016-01-01

    In this monograph, the authors present their recently developed theory of electromagnetic interactions. This neoclassical approach extends the classical electromagnetic theory down to atomic scales and allows the explanation of various non-classical phenomena in the same framework. While the classical Maxwell–Lorentz electromagnetism theory succeeds in describing the physical reality at macroscopic scales, it struggles at atomic scales. Here, quantum mechanics traditionally takes over to describe non-classical phenomena such as the hydrogen spectrum and de Broglie waves. By means of modifying the classical theory, the approach presented here is able to consistently explain quantum-mechanical effects, and while similar to quantum mechanics in some respects, this neoclassical theory also differs markedly from it. In particular, the newly developed framework omits probabilistic interpretations of the wave function and features a new fundamental spatial scale which, at the size of the free electron, is much lar...

  19. Geometric theory of fundamental interactions. Foundations of unified physics

    International Nuclear Information System (INIS)

    Pestov, A.B.

    2012-01-01

    We put forward an idea that regularities of unified physics are in a simple relation: everything in the concept of space and the concept of space in everything. With this hypothesis as a ground, a conceptual structure of a unified geometrical theory of fundamental interactions is created and deductive derivation of its main equations is produced. The formulated theory gives solution of the actual problems, provides opportunity to understand the origin and nature of physical fields, local internal symmetry, time, energy, spin, charge, confinement, dark energy and dark matter, thus conforming the existence of new physics in its unity

  20. Discriminative deep inelastic tests of strong interaction field theories

    International Nuclear Information System (INIS)

    Glueck, M.; Reya, E.

    1979-02-01

    It is demonstrated that recent measurements of F 2 (x,Q 2 ) dx eliminate already all strong interaction field theories which do not include colored quarks as well as colored vector gluons. Detailed studies of scaling violations in F 2 (x,Q 2 ) cannot discriminate between a local gauge invariant theory (QCD) and one which has no local color gauge invariance, i.e. no triple-gluon coupling. This implies that all calculations on scaling violations done so far are insensitive to the gluon self-coupling, the latter might perhaps be delineated with future ep colliding beam facilities. (orig.) [de

  1. Simulating plasma instabilities in SU(3) gauge theory

    International Nuclear Information System (INIS)

    Berges, Juergen; Gelfand, Daniil; Scheffler, Sebastian; Sexty, Denes

    2009-01-01

    We compute nonequilibrium dynamics of plasma instabilities in classical-statistical lattice gauge theory in 3+1 dimensions. The simulations are done for the first time for the SU(3) gauge group relevant for quantum chromodynamics. We find a qualitatively similar behavior as compared to earlier investigations in SU(2) gauge theory. The characteristic growth rates are about 25% lower for given energy density, such that the isotropization process is slower. Measured in units of the characteristic screening mass, the primary growth rate is independent of the number of colors.

  2. Effective Field Theories and Strong Interactions. Final Technical Report

    International Nuclear Information System (INIS)

    Fleming, Sean

    2011-01-01

    The framework of Effective Field Theories (EFTs) allows us to describe strong interactions in terms of degrees of freedom relevant to the energy regimes of interest, in the most general way consistent with the symmetries of QCD. Observables are expanded systematically in powers of M lo /M hi , where M lo (M hi ) denotes a low-(high-)energy scale. This organizational principle is referred to as 'power counting'. Terms of increasing powers in the expansion parameter are referred to as leading order (LO), next-to-leading order (NLO), etc. Details of the QCD dynamics not included explicitly are encoded in interaction parameters, or 'low-energy constants' (LECs), which can in principle be calculated from an explicit solution of QCD - for example via lattice simulations- but can also be determined directly from experimental data. QCD has an intrinsic scale M QCD ≅ 1 GeV, at which the QCD coupling constant α s (M QCD ) becomes large and the dynamics becomes non-perturbative. As a consequence M QCD sets the scale for the masses of most hadrons, such as the nucleon mass m N ≅ 940 MeV. EFTs can roughly be divided into two categories: those that can be matched onto QCD in perturbation theory, which we call high-energy EFTs, and those that cannot be matched perturbatively, which we call low-energy EFTs. In high-energy EFTs, M QCD typically sets the low-energy scale, and all the dynamics associated with this scale reside in matrix elements of EFT operators. These non-perturbative matrix elements are the LECs and are also referred to as long-distance contributions. Each matrix element is multiplied by a short-distance coefficient, which contains the dynamics from the high scale M hi . Since M hi >> M QCD , α s (M hi ) hi ∼ M Q , the heavy-quark mass, and in addition to M QCD there are low scales associated with the typical relative momentum ∼ M Q v and energy ∼ M Q v 2 of the heavy quarks. Depending on the sizes of M Q and the heavy-quark velocity v these scales can

  3. Interacting fermions in two dimensions: Beyond the perturbation theory

    International Nuclear Information System (INIS)

    Gangadharaiah, S.; Maslov, D.L.; Chubukov, A.V.; Glazman, L.I.

    2005-05-01

    We consider a system of 2D fermions with short-range interaction. A straightforward perturbation theory is shown to be ill-defined even for an infinitesimally weak interaction, as the perturbative series for the self-energy diverges near the mass shell. We show that the divergences result from the interaction of fermions with the zero-sound collective mode. By re-summing the most divergent diagrams, we obtain a closed form of the self-energy near the mass shell. The spectral function exhibits a threshold feature at the onset of the emission of the zero-sound waves. We also show that the interaction with the zero sound does not affect a non- analytic, T 2 -part of the specific heat. (author)

  4. Implementation of quantum game theory simulations using Python

    Science.gov (United States)

    Madrid S., A.

    2013-05-01

    This paper provides some examples about quantum games simulated in Python's programming language. The quantum games have been developed with the Sympy Python library, which permits solving quantum problems in a symbolic form. The application of these methods of quantum mechanics to game theory gives us more possibility to achieve results not possible before. To illustrate the results of these methods, in particular, there have been simulated the quantum battle of the sexes, the prisoner's dilemma and card games. These solutions are able to exceed the classic bottle neck and obtain optimal quantum strategies. In this form, python demonstrated that is possible to do more advanced and complicated quantum games algorithms.

  5. Effective field theory of thermal Casimir interactions between anisotropic particles.

    Science.gov (United States)

    Haussman, Robert C; Deserno, Markus

    2014-06-01

    We employ an effective field theory (EFT) approach to study thermal Casimir interactions between objects bound to a fluctuating fluid surface or interface dominated by surface tension, with a focus on the effects of particle anisotropy. The EFT prescription disentangles the constraints imposed by the particles' boundaries from the calculation of the interaction free energy by constructing an equivalent point particle description. The finite-size information is captured in a derivative expansion that encodes the particles' response to external fields. The coefficients of the expansion terms correspond to generalized tensorial polarizabilities and are found by matching the results of a linear response boundary value problem computed in both the full and effective theories. We demonstrate the versatility of the EFT approach by constructing the general effective Hamiltonian for a collection of particles of arbitrary shapes. Taking advantage of the conformal symmetry of the Hamiltonian, we discuss a straightforward conformal mapping procedure to systematically determine the polarizabilities and derive a complete description for elliptical particles. We compute the pairwise interaction energies to several orders for nonidentical ellipses as well as their leading-order triplet interactions and discuss the resulting preferred pair and multibody configurations. Furthermore, we elaborate on the complications that arise with pinned particle boundary conditions and show that the powerlike corrections expected from dimensional analysis are exponentially suppressed by the leading-order interaction energies.

  6. Visualization of acoustic particle interaction and agglomeration: Theory evaluation

    International Nuclear Information System (INIS)

    Hoffmann, T.L.; Koopmann, G.H.

    1997-01-01

    In this paper experimentally observed trajectories of particles undergoing acoustically induced interaction and agglomeration processes are compared to and validated with numerically generated trajectories based on existing agglomeration theories. Models for orthokinetic, scattering, mutual radiation pressure, and hydrodynamic particle interaction are considered in the analysis. The characteristic features of the classical orthokinetic agglomeration hypothesis, such as collision processes and agglomerations due to the relative entrainment motion, are not observed in the digital images. The measured entrainment rates of the particles are found to be consistently lower than the theoretically predicted values. Some of the experiments reveal certain characteristics which may possibly be related to mutual scattering interaction. The study's most significant discovery is the so-called tuning fork agglomeration [T. L. Hoffmann and G. H. Koopmann, J. Acoust. Soc. Am. 99, 2130 endash 2141 (1996)]. It is shown that this phenomenon contradicts the theories for mutual scattering interaction and mutual radiation pressure interaction, but agrees with the acoustic wake effect model in its intrinsic feature of attraction between particles aligned along the acoustic axis. A model by Dianov et al. [Sov. Phys. Acoust. 13 (3), 314 endash 319 (1968)] is used to describe this effect based on asymmetric flow fields around particles under Oseen flow conditions. It is concluded that this model is consistent with the general characteristics of the tuning fork agglomerations, but lacks certain refinements with respect to accurate quantification of the effect. copyright 1997 Acoustical Society of America

  7. Hot interstellar tunnels. I. Simulation of interacting supernova remnants

    International Nuclear Information System (INIS)

    Smith, B.W.

    1977-01-01

    Reexamining a suggestion of Cox and Smith, we find that intersecting supernova remnants can indeed generate and maintain hot interstellar regions with napproximately-less-than10 -2 cm -3 and Tapprox.10 6 K. These regions are likely to occupy at least 30% of the volume of a spiral arm near the midplane of the gaseous disk if the local supernova rate there is greater than 1.5 x 10 -7 Myr -1 pc -3 . Their presence in the interstellar medium is supported by observations of the soft X-ray background. The theory required to build a numerical simulation of interacting supernova remnants is developed. The hot cavities within a population of remnants will become connected for a variety of assumed conditions in the outer shells of old remnants. Extensive hot cavity regions or tunnels are built and enlarged by supernovae occurring in relatively dense gas which produce connections, but tunnels are kept hot primarily by supernovae occurring within the tunnels. The latter supernovae initiate fast shock waves which apparently reheat tunnels faster than they are destroyed by thermal conduction in a galactic magnetic field or by radiative cooling. However, the dispersal of these rejuvenating shocks over a wide volume is inhibited by motions of cooler interstellar gas in the interval between shocks. These motions disrupt the contiguity of the component cavities of a tunnel and may cause its death.The Monte Carlo simulations indicate that a quasi-equilibrium is reached within 10 7 years of the first supernova in a spiral arm. This equilibrium is characterized by a constant average filling fraction for cavities in the interstellar volume. Aspects of the equilibrium are discussed for a range of supernova rates. Two predictions of Cox and Smith are not confirmed within this range: critical growth of hot regions to encompass the entire medium, and the efficient quenching of a remnant's expansion by interaction with other cavities

  8. Modeling molecule-plasmon interactions using quantized radiation fields within time-dependent electronic structure theory

    Energy Technology Data Exchange (ETDEWEB)

    Nascimento, Daniel R.; DePrince, A. Eugene, E-mail: deprince@chem.fsu.edu [Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306-4390 (United States)

    2015-12-07

    We present a combined cavity quantum electrodynamics/ab initio electronic structure approach for simulating plasmon-molecule interactions in the time domain. The simple Jaynes-Cummings-type model Hamiltonian typically utilized in such simulations is replaced with one in which the molecular component of the coupled system is treated in a fully ab initio way, resulting in a computationally efficient description of general plasmon-molecule interactions. Mutual polarization effects are easily incorporated within a standard ground-state Hartree-Fock computation, and time-dependent simulations carry the same formal computational scaling as real-time time-dependent Hartree-Fock theory. As a proof of principle, we apply this generalized method to the emergence of a Fano-like resonance in coupled molecule-plasmon systems; this feature is quite sensitive to the nanoparticle-molecule separation and the orientation of the molecule relative to the polarization of the external electric field.

  9. A New Finslerian Unified Field Theory of Physical Interactions

    Directory of Open Access Journals (Sweden)

    Suhendro I.

    2009-10-01

    Full Text Available In this work, we shall present the foundational structure of a new unified field theory of physical interactions in a geometric world-space endowed with a new kind of Finslerian metric. The intrinsic non-metricity in the structure of our world-geometry may have direct, genuine connection with quantum mechanics, which is yet to be fully explored at present. Building upon some of the previous works of the Author, our ultimate aim here is yet another quantum theory of gravity (in just four space-time dimensions. Our resulting new theory appears to present us with a novel Eulerian (intrinsically motion-dependent world-geometry in which the physical fields originate.

  10. Interactions and scattering in d = 1 string theory

    International Nuclear Information System (INIS)

    Sengupta, A.M.; Mandal, G.; Wadia, S.R.

    1991-01-01

    This paper discusses two results: the authors calculate the two-point function of the density fluctuations to o(g st 2 ) in the fermionic formulation of the d = 1 string theory and compare with the o(g st 2 ) result from the candidate collective field Hamiltonian. The latter result is divergent, showing the inequivalence of the two theories. The authors find out the corrections to the collective field Hamiltonian (both in the form of infinite counterterms and additional finite pieces) needed to match with the fermion theory. The authors study tree-level scattering processes between bosons due to the localized interaction near the boundary (in a region of order √ α'). The reflection problem at the boundary is treated by an analytic continuation of the time-of-flight variable

  11. Local simulation algorithms for Coulombic interactions

    Indian Academy of Sciences (India)

    electrostatic potential, so that Monte Carlo methods must (apparently) lead to .... where ∆0 is chosen so that the Monte Carlo acceptance probability of this move is ... Debye–Hückel theory applied to a lattice gas gives the following expression.

  12. Application of the fuzzy theory to simulation of batch fermentation

    Energy Technology Data Exchange (ETDEWEB)

    Filev, D P; Kishimoto, M; Sengupta, S; Yoshida, T; Taguchi, H

    1985-12-01

    A new approach for system identification with a linguistic model of batch fermentation processes is proposed. The fuzzy theory was applied in order to reduce the uncertainty of quantitative description of the processes by use of qualitative characteristics. An example of fuzzy modeling was illustrated in the simulation of batch ethanol production from molasses after interpretation of the new method, and extension of the fuzzy model was also discussed for several cases of different measurable variables.

  13. Cosmological simulations using a static scalar-tensor theory

    Energy Technology Data Exchange (ETDEWEB)

    RodrIguez-Meza, M A [Depto. de Fisica, Instituto Nacional de Investigaciones Nucleares, Col. Escandon, Apdo. Postal 18-1027, 11801 Mexico D.F (Mexico); Gonzalez-Morales, A X [Departamento Ingenierias, Universidad Iberoamericana, Prol. Paseo de la Reforma 880 Lomas de Santa Fe, Mexico D.F. Mexico (Mexico); Gabbasov, R F [Depto. de Fisica, Instituto Nacional de Investigaciones Nucleares, Col. Escandon, Apdo. Postal 18-1027, 11801 Mexico D.F (Mexico); Cervantes-Cota, Jorge L [Depto. de Fisica, Instituto Nacional de Investigaciones Nucleares, Col. Escandon, Apdo. Postal 18-1027, 11801 Mexico D.F (Mexico)

    2007-11-15

    We present {lambda}CDM N-body cosmological simulations in the framework of of a static general scalar-tensor theory of gravity. Due to the influence of the non-minimally coupled scalar field, the gravitational potential is modified by a Yukawa type term, yielding a new structure formation dynamics. We present some preliminary results and, in particular, we compute the density and velocity profiles of the most massive group.

  14. Theory, Modeling and Simulation Annual Report 2000; FINAL

    International Nuclear Information System (INIS)

    Dixon, David A; Garrett, Bruce C; Straatsma, TP; Jones, Donald R; Studham, Scott; Harrison, Robert J; Nichols, Jeffrey A

    2001-01-01

    This annual report describes the 2000 research accomplishments for the Theory, Modeling, and Simulation (TM and S) directorate, one of the six research organizations in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory (PNNL). EMSL is a U.S. Department of Energy (DOE) national scientific user facility and is the centerpiece of the DOE commitment to providing world-class experimental, theoretical, and computational capabilities for solving the nation's environmental problems

  15. A horizontal vane radiometer: experiment, theory and simulation

    OpenAIRE

    Wolfe, David; Lazarra, Andres; Garcia, Alejandro

    2015-01-01

    The existence of two motive forces on a Crookes radiometer has complicated the investigation of either force independently. The thermal creep shear force in particular has been subject to differing interpretations of the direction in which it acts and its order of magnitude. In this article we provide a horizontal vane radiometer design which isolates the thermal creep shear force. The horizontal vane radiometer is explored through experiment, kinetic theory, and the Direct Simulation Monte C...

  16. Simulation of coherent interactions between Rydberg atoms

    International Nuclear Information System (INIS)

    Robicheaux, F.; Hernandez, J.V.; Topcu, T.; Noordam, L.D.

    2004-01-01

    The results of a theoretical investigation of the coherent interaction between many Rydberg atoms are reported. The atoms are assumed to move very little during the time range we investigate. We describe the basic interaction between atoms and show that (contrary to previous theoretical studies) the interaction between the atoms can be coherent. The band structure for a perfect lattice of atoms and the density of states for an amorphous distribution of atoms are presented. We also give results for when the atoms are roughly positioned in a lattice. Finally, we performed detailed calculations to understand when the Rydberg interactions are too strong for an essential states type of approximation. The relevance of our results to previous measurements in a Rydberg gas and to possible future experiments is discussed

  17. Dimensional analysis, similarity, analogy, and the simulation theory

    International Nuclear Information System (INIS)

    Davis, A.A.

    1978-01-01

    Dimensional analysis, similarity, analogy, and cybernetics are shown to be four consecutive steps in application of the simulation theory. This paper introduces the classes of phenomena which follow the same formal mathematical equations as models of the natural laws and the interior sphere of restraints groups of phenomena in which one can introduce simplfied nondimensional mathematical equations. The simulation by similarity in a specific field of physics, by analogy in two or more different fields of physics, and by cybernetics in nature in two or more fields of mathematics, physics, biology, economics, politics, sociology, etc., appears as a unique theory which permits one to transport the results of experiments from the models, convenably selected to meet the conditions of researches, constructions, and measurements in the laboratories to the originals which are the primary objectives of the researches. Some interesting conclusions which cannot be avoided in the use of simplified nondimensional mathematical equations as models of natural laws are presented. Interesting limitations on the use of simulation theory based on assumed simplifications are recognized. This paper shows as necessary, in scientific research, that one write mathematical models of general laws which will be applied to nature in its entirety. The paper proposes the extent of the second law of thermodynamics as the generalized law of entropy to model life and its activities. This paper shows that the physical studies and philosophical interpretations of phenomena and natural laws cannot be separated in scientific work; they are interconnected and one cannot be put above the others

  18. Instabilities of collisionless current sheets: Theory and simulations

    International Nuclear Information System (INIS)

    Silin, I.; Buechner, J.; Zelenyi, L.

    2002-01-01

    The problem of Harris current sheet stability is investigated. A linear dispersion relation in the long-wavelength limit is derived for instabilities, propagating in the neutral plane at an arbitrary angle to the magnetic field but symmetric across the sheet. The role of electrostatic perturbations is especially investigated. It appears, that for the tearing-mode instability electrostatic effects are negligible. However, for obliquely propagating modes the modulation of the electrostatic potential φ is essential. In order to verify the theoretical results, the limiting cases of tearing and sausage instabilities are compared to the two-dimensional (2D) Vlasov code simulations. For tearing the agreement between theory and simulations is good for all mass ratios. For sausage-modes, the theory predicts fast stabilization for mass ratios m i /m e ≥10. This is not observed in simulations due to the diminishing of the wavelength for higher mass ratios, which leads beyond the limit of applicability of the theory developed here

  19. A horizontal vane radiometer: Experiment, theory, and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Wolfe, David; Larraza, Andres, E-mail: larraza@nps.edu [Department of Physics, Naval Postgraduate School, Monterey, California 93940 (United States); Garcia, Alejandro [Department of Physics and Astronomy, San Jose State University, San Jose, California 95152 (United States)

    2016-03-15

    The existence of two motive forces on a Crookes radiometer has complicated the investigation of either force independently. The thermal creep shear force in particular has been subject to differing interpretations of the direction in which it acts and its order of magnitude. In this article, we provide a horizontal vane radiometer design which isolates the thermal creep shear force. The horizontal vane radiometer is explored through experiment, kinetic theory, and the Direct Simulation Monte Carlo (DSMC) method. The qualitative agreement between the three methods of investigation is good except for a dependence of the force on the width of the vane even when the temperature gradient is narrower than the vane which is present in the DSMC method results but not in the theory. The experimental results qualitatively resemble the theory in this regard. The quantitative agreement between the three methods of investigation is better than an order of magnitude in the cases examined. The theory is closer to the experimental values for narrow vanes and the simulations are closer to the experimental values for the wide vanes. We find that the thermal creep force acts from the hot side to the cold side of the vane. We also find the peak in the radiometer’s angular speed as a function of pressure is explained as much by the behavior of the drag force as by the behavior of the thermal creep force.

  20. A horizontal vane radiometer: Experiment, theory, and simulation

    International Nuclear Information System (INIS)

    Wolfe, David; Larraza, Andres; Garcia, Alejandro

    2016-01-01

    The existence of two motive forces on a Crookes radiometer has complicated the investigation of either force independently. The thermal creep shear force in particular has been subject to differing interpretations of the direction in which it acts and its order of magnitude. In this article, we provide a horizontal vane radiometer design which isolates the thermal creep shear force. The horizontal vane radiometer is explored through experiment, kinetic theory, and the Direct Simulation Monte Carlo (DSMC) method. The qualitative agreement between the three methods of investigation is good except for a dependence of the force on the width of the vane even when the temperature gradient is narrower than the vane which is present in the DSMC method results but not in the theory. The experimental results qualitatively resemble the theory in this regard. The quantitative agreement between the three methods of investigation is better than an order of magnitude in the cases examined. The theory is closer to the experimental values for narrow vanes and the simulations are closer to the experimental values for the wide vanes. We find that the thermal creep force acts from the hot side to the cold side of the vane. We also find the peak in the radiometer’s angular speed as a function of pressure is explained as much by the behavior of the drag force as by the behavior of the thermal creep force.

  1. Microcanonical simulations in classical and quantum field theory

    International Nuclear Information System (INIS)

    Olson, D.P.

    1988-01-01

    In the first part of this thesis, a stochastic adaptation of the microcanonical simulation method is applied to the numerical simulation of the Su-Schrieffer-Heeger Hamiltonian for polyacetylene, a one-dimensional polymer were fermion-boson interactions play a dominant role in the dynamics of the system. The pure microcanonical simulation method fails in the marginally ergodic case and a stochastic adaptation, the hybrid microcanonical method, is employed to resolve problems with ergodicity. The hybrid method is shown to be an efficient method for higher dimensional fermionic quantum systems. In the second part of this thesis, a numerical simulation of the evolution of a network of global cosmic strings is an expanding Robertson-Walker universe is carried out. The system is quenched through an order-disorder phase transition and the nature of the string distribution is examined. While the string distribution observed at the phase transition is in good agreement with earlier estimates, the simulation reveals that the dynamics of the strings are suppressed by interactions with the Goldstone field. The network decays by topological annihilation and no spatial correlations are observed at any point in the simulation

  2. Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores

    International Nuclear Information System (INIS)

    Neimark, Alexander V; Ravikovitch, Peter I; Vishnyakov, Aleksey

    2003-01-01

    With the example of the capillary condensation of Lennard-Jones fluid in nanopores ranging from 1 to 10 nm, we show that the non-local density functional theory (NLDFT) with properly chosen parameters of intermolecular interactions bridges the scale gap from molecular simulations to macroscopic thermodynamics. On the one hand, NLDFT correctly approximates the results of Monte Carlo simulations (shift of vapour-liquid equilibrium, spinodals, density profiles, adsorption isotherms) for pores wider than about 2 nm. On the other hand, NLDFT smoothly merges (above 7-10 nm) with the Derjaguin-Broekhoff-de Boer equations which represent augmented Laplace-Kelvin equations of capillary condensation and desorption

  3. Interactive Theory of Breastfeeding: creation and application of a middle-range theory

    Directory of Open Access Journals (Sweden)

    Cândida Caniçali Primo

    Full Text Available ABSTRACT Objective: To describe a breastfeeding theory based on King's Conceptual System. Method: Theoretical study that used analysis of concept, assertion synthesis, and derivation of theory for the creation of a new theory. Results: King's system components were associated with elements of the breastfeeding process and a middle-range theory was created, which describes, explains, predicts, and prescribes breastfeeding by analyzing factors that precede and affect it, as well as their consequences on the breastfeeding process. Conclusion: The Breastfeeding Interactive Model is abstract enough to be applied in different social, cultural, political, and economic contexts, because it conceptualizes breastfeeding in systemic, dynamic, and procedural aspects. Based on a conceptual model of nursing, it contributes to the scientific construction of the subject; however it can also potentially be applied by other professionals involved in breastfeeding assistance.

  4. Lattice cluster theory for polymer melts with specific interactions

    International Nuclear Information System (INIS)

    Xu, Wen-Sheng; Freed, Karl F.

    2014-01-01

    Despite the long-recognized fact that chemical structure and specific interactions greatly influence the thermodynamic properties of polymer systems, a predictive molecular theory that enables systematically addressing the role of chemical structure and specific interactions has been slow to develop even for polymer melts. While the lattice cluster theory (LCT) provides a powerful vehicle for understanding the influence of various molecular factors, such as monomer structure, on the thermodynamic properties of polymer melts and blends, the application of the LCT has heretofore been limited to the use of the simplest polymer model in which all united atom groups within the monomers of a species interact with a common monomer averaged van der Waals energy. Thus, the description of a compressible polymer melt involves a single van der Waals energy. As a first step towards developing more realistic descriptions to aid in the analysis of experimental data and the design of new materials, the LCT is extended here to treat models of polymer melts in which the backbone and side groups have different interaction strengths, so three energy parameters are present, namely, backbone-backbone, side group-side group, and backbone-side group interaction energies. Because of the great algebraic complexity of this extension, we retain maximal simplicity within this class of models by further specializing this initial study to models of polymer melts comprising chains with poly(n-α-olefin) structures where only the end segments on the side chains may have different, specific van der Waals interaction energies with the other united atom groups. An analytical expression for the LCT Helmholtz free energy is derived for the new model. Illustrative calculations are presented to demonstrate the degree to which the thermodynamic properties of polymer melts can be controlled by specific interactions

  5. IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

    Science.gov (United States)

    Ha, Vi Q; Lykotrafitis, George

    2016-12-08

    We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Direct interaction in nuclear reactions: a theory; L'interaction directe dans les reactions nucleaires: theorie

    Energy Technology Data Exchange (ETDEWEB)

    Dominicis, C.T. de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    General treatment of the foundations of direct interaction in nuclear reactions; representation of the instantaneous elastic scattering amplitude by the scattering amplitude due to a complex potential; expansion of the instantaneous inelastic scattering amplitude and discussion of the 1. Bohr approximation (distorted waves) contribution to individual and collective states of excitation. (author) [French] Expose general sur les fondements de l'interaction directe dans les reactions nucleaires; representation de l'amplitude de diffusion instantanee elastique par celle due a un potentiel complexe; developpement de l'amplitude de diffusion instantanee inelastique et discussion de la contribution de la premiere approximation de Bohr (sur des distendues) a l'excitation d'etats individuels et collectifs. (auteur)

  7. Interacting ghost dark energy in Brans-Dicke theory

    International Nuclear Information System (INIS)

    Ebrahimi, Esmaeil; Sheykhi, Ahmad

    2011-01-01

    We investigate the QCD ghost model of dark energy in the framework of Brans-Dicke cosmology. First, we study the non-interacting ghost dark energy in a flat Brans-Dicke theory. In this case we obtain the equation of state and the deceleration parameters and a differential equation governing the evolution of ghost energy density. Interestingly enough, we find that the equation of state parameter of the non-interacting ghost dark energy can cross the phantom line (w D =-1) provided the parameters of the model are chosen suitably. Then, we generalize the study to the interacting ghost dark energy in both flat and non-flat Brans-Dicke framework and find out that the transition of w D to phantom regime can be more easily achieved for than when resort to the Einstein field equations is made.

  8. Algebraic construction of interacting higher spin field theories

    International Nuclear Information System (INIS)

    Fougere, F.

    1991-10-01

    We develop a general framework which we believe may provide some insights into the structure of interacting 'high spin' field theories. A finite or infinite set of classical spin fields is described by means of a field defined on an enlarged spacetime manifold. The free action and its gauge symmetries are gathered into a nilpotent differential operator on this manifold. In particular, the choice of Grassmann-valued extra coordinates leads to theories involving only a finite set of fields, the possible contents (spin multiplicities, degree of reducibility, etc.) of which are classified according to the representations of a unitary algebra. The interacting theory is characterized by a functional of the field on the enlarged manifold. We show that there is among these functionals a natural graded Lie algebra structure allowing one to rewrite the gauge invariance condition of the action in a concise form which is a nonlinear generalization of the nilpotency condition of the free theory. We obtain the general solution of this 'classical master equation' , which can be built recurrently starting form the cubic vertex, and we study its symmetries. Our formalism lends itself to a systematic introduction of additional conditions, such as locality, polynomiality, etc. We write down the general form of the solutions exhibiting a scale invariance. The case of a spin 1 field yields, as a unique solution, Yang-Mills theory. In view of quantization, we show that the solution of the classical master equation straightforwardly provides a solution of the (quantum) Batalin-Vilkoviski master equation. One may then obtain a gauge fixed action in the usual way

  9. The Electron Transport Chain: An Interactive Simulation

    Science.gov (United States)

    Romero, Chris; Choun, James

    2014-01-01

    This activity provides students an interactive demonstration of the electron transport chain and chemiosmosis during aerobic respiration. Students use simple, everyday objects as hydrogen ions and electrons and play the roles of the various proteins embedded in the inner mitochondrial membrane to show how this specific process in cellular…

  10. Simulation study of the beam-beam interaction at SPEAR

    International Nuclear Information System (INIS)

    Tennyson, J.

    1980-01-01

    A two dimensional simulation study of the beam-beam interaction at SPEAR indicates that quantum fluctuations affecting the horizontal betatron oscillation play a critical role in the vertical beam blowup

  11. Interactive Modelling and Simulation of Human Motion

    DEFF Research Database (Denmark)

    Engell-Nørregård, Morten Pol

    menneskers led, der udviser både ikke-konveksitet og flere frihedsgrader • En generel og alsidig model for aktivering af bløde legemer. Modellen kan anvendes som et animations værktøj, men er lige så velegnet til simulering af menneskelige muskler, da den opfylder de grundlæggende fysiske principper......Dansk resumé Denne ph.d.-afhandling beskæftiger sig med modellering og simulation af menneskelig bevægelse. Emnerne i denne afhandling har mindst to ting til fælles. For det første beskæftiger de sig med menneskelig bevægelse. Selv om de udviklede modeller også kan benyttes til andre ting,er det...... primære fokus på at modellere den menneskelige krop. For det andet, beskæftiger de sig alle med simulering som et redskab til at syntetisere bevægelse og dermed skabe animationer. Dette er en vigtigt pointe, da det betyder, at vi ikke kun skaber værktøjer til animatorer, som de kan bruge til at lave sjove...

  12. An Interactive Simulation Tool for Production Planning in Bacon Factories

    DEFF Research Database (Denmark)

    Nielsen, Jens Frederik Dalsgaard; Nielsen, Kirsten Mølgaard

    1994-01-01

    The paper describes an interactive simulation tool for production planning in bacon factories. The main aim of the tool is to make it possible to combine the production plans of all parts of the factory......The paper describes an interactive simulation tool for production planning in bacon factories. The main aim of the tool is to make it possible to combine the production plans of all parts of the factory...

  13. Simulation of AntiMatter–Matter Interactions in Geant4

    Directory of Open Access Journals (Sweden)

    Galoyan Aida

    2018-01-01

    Full Text Available Cross sections of antiproton and antinucleus interactions with nuclei are calculated using stochastic averaging method. A new implementation of the Quark-Gluon-String Model (QGSM is proposed for simulation of multi-particle production in antinucleus-nucleus collisions. A combination of the cross sections and the new implementation of QGSM allows experimental data on antiproton and antinucleus interactions with nuclei to be described. The combination is included in the well-known Geant4 simulation toolkit.

  14. INTERACTIVE MOTION PLATFORMS AND VIRTUAL REALITY FOR VEHICLE SIMULATORS

    Directory of Open Access Journals (Sweden)

    Evžen Thöndel

    2017-12-01

    Full Text Available Interactive motion platforms are intended for vehicle simulators, where the direct interaction of the human body is used for controlling the simulated vehicle (e.g. bicycle, motorbike or other sports vehicles. The second use of interactive motion platforms is for entertainment purposes or fitness. The development of interactive motion platforms reacts to recent calls in the simulation industry to provide a device, which further enhances the virtual reality experience, especially with connection to the new and very fast growing business in virtual reality glasses. The paper looks at the design and control of an interactive motion platform with two degrees of freedom to be used in virtual reality applications. The paper provides the description of the control methods and new problems related to the virtual reality sickness are discussed here.

  15. Interactive Simulations to Support Quantum Mechanics Instruction for Chemistry Students

    Science.gov (United States)

    Kohnle, Antje; Benfield, Cory; Hahner, Georg; Paetkau, Mark

    2017-01-01

    The QuVis Quantum Mechanics Visualization Project provides freely available research-based interactive simulations with accompanying activities for the teaching and learning of quantum mechanics across a wide range of topics and levels. This article gives an overview of some of the simulations and describes their use in an introductory physical…

  16. Field theory of interacting open superstrings of fermionic ghost representation

    International Nuclear Information System (INIS)

    Aref'eva, I.Ya.; Medvedev, P.V.

    1987-01-01

    Field theory of interacting open superstring in fermionic ghost representation based on anticommuting and commuting ghosts corresponding respectively to world sheet bosonic x μ and fermionic φ μ coordinates is presented. The author have to revise once more the field theory of the free Ramond (R) string and starting from general algebraic point of view they obtain that the number of degrees of freedom in the R and NS (Neveu-Schwartz) sectors equalise themselves permitting to construct a supersymmetric operator. It is proposed to solve a specific equation guaranteeing superinvariance in order to find the R-R-NS and NS-R-R vertices in the term of the NS-NS-NS vertex

  17. Interactions In Online Education Implications For Theory & Practice

    Directory of Open Access Journals (Sweden)

    Askim KURT

    2007-04-01

    Full Text Available This book was edited by, Charles Juwah, Senior EducationDevelopment Officer at Robert Gordon University, where heruns the postgraduate learning and teaching qualificationcourse. It was published by Routledge in 2006.Interaction is very important in open and flexible learning,and apparent at all levels of engagement, whether betweenstudents, students and tutors, online learning materials orinterfacing with the learning environment. A student whoactively engages with learning materials, interactions helpto improve learning by fortifying knowledge and providingcontext, encouraging reflection, questioning and deeplyunderstanding of a subject.This book provides international perspectives on key topics including analyzing and designing e-learning interactions, social and conceptual dimensions of learning, interactions in online discussions, interactions in pair learning, and professional development of online facilitators. In this book a collection of research and innovative case material drawn from practitioners and academicians and it covers the theory and the practical implications of related issues. It is essential reading for all those involved in the design,implementation, management and use of open and flexible learning.

  18. Mesoscale simulations of hydrodynamic squirmer interactions.

    Science.gov (United States)

    Götze, Ingo O; Gompper, Gerhard

    2010-10-01

    The swimming behavior of self-propelled microorganisms is studied by particle-based mesoscale simulations. The simulation technique includes both hydrodynamics and thermal fluctuations that are both essential for the dynamics of microswimmers. The swimmers are modeled as squirmers, i.e., spherical objects with a prescribed tangential surface velocity, where the focus of thrust generation can be tuned from pushers to pullers. For passive squirmers (colloids), we show that the velocity autocorrelation function agrees quantitatively with the Boussinesq approximation. Single active squirmers show a persistent random-walk behavior, determined by forward motion, lateral diffusion, and orientational fluctuations, in agreement with theoretical predictions. For pairs of squirmers, which are initially swimming in parallel, we find an attraction for pushers and a repulsion for pullers, as expected. The hydrodynamic force between squirmer pairs is calculated as a function of the center-to-center distances d(cm) and is found to be consistent with a logarithmic distance dependence for d(cm) less than about two sphere diameters; here, the force is considerably stronger than expected from the far-field expansion. The dependence of the force strength on the asymmetry of the polar surface velocity is obtained. During the collision process, thermal fluctuations turn out to be very important and to strongly affect the postcollision velocity directions of both squirmers.

  19. Simulation of cosmic ray interaction at Saturne

    International Nuclear Information System (INIS)

    Michel, R.

    1996-01-01

    Accelerator experiments provide the basis for the development of physical models describing the production of cosmogenic nuclides by cosmic ray particles. Here, experiments are presented by which the irradiation of stony and iron meteoroids in space by galactic cosmic ray protons was successfully simulated; two thick spherical targets made of gabbro and of steel with radii of 25 and 10 cm, respectively, were isotropically irradiated with 1.6 GeV protons at LNS. The artificial meteoroids contained large numbers of individual small targets of up to 27 elements in which the depth-dependent production of radioactive and stable nuclides was analyzed by model calculations based on depth-dependent spectra of primary and secondary particles calculated by the HERMES code system and on experimental and theoretical thin-target cross sections. Due to the results of the two simulation experiments at LNS a consistent modelling of cosmogenic nuclide production rates in stony and iron meteorites was achieved for the first time which allows to interpret the observed abundances of cosmogenic nuclides in stony and iron meteorites with respect to their exposure histories and to describe the history of the cosmic radiation itself. (author)

  20. Theory and simulation of charge transfer through DNA - nanotube contacts

    International Nuclear Information System (INIS)

    Rink, Gunda; Kong Yong; Koslowski, Thorsten

    2006-01-01

    We address the problem of charge transfer between a single-stranded adenine oligomer and semiconducting boron nitride nanotubes from a theoretical and numerical perspective. The model structures have been motivated by computer simulations; sample geometries are used as the input of an electronic structure theory that is based upon an extended Su-Schrieffer-Heeger Hamiltonian. By analyzing the emerging potential energy surfaces, we obtain hole transfer rates via Marcus' theory of charge transfer. In the presence of nanotubes, these rates exceed those of isolated DNA single strands by a factor of up to 10 4 . This enhancement can be rationalized and quantified as a combination of a template effect and the participation of the tube within a superexchange mechanism

  1. Turbulent diffusion of chemically reacting flows: Theory and numerical simulations.

    Science.gov (United States)

    Elperin, T; Kleeorin, N; Liberman, M; Lipatnikov, A N; Rogachevskii, I; Yu, R

    2017-11-01

    The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014)PLEEE81539-375510.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

  2. Stand, Harvest, and Equipment Interactions in Simulated Harvesting Prescriptions

    Science.gov (United States)

    Jingxin Wang; W. Dale Greene; Bryce J. Stokes

    1998-01-01

    We evaluated potential interactions of stand type, harvesting method, and equipment in an experiment using interactive simulation. We examined three felling methods (chain saw, feller-buncher, harvester) and two extraction methods (grapple skidder and forwarder) performing clearcuts, sheltenvood cuts, and single-tree selection cuts in both an uneven-aged natural stand...

  3. Cosmological solutions in string theory with dilaton self interaction potential

    International Nuclear Information System (INIS)

    Mora, C.; Pimentel, L.O.

    2003-01-01

    In this work we present homogeneous and isotropic cosmological solutions for the low energy limit of string theory with a self interacting potential for the scalar field. For a potential that is a linear combination of two exponential, a family of exact solutions are found for the different spatial curvatures. Among this family a non singular accelerating solution for positive curvature is singled out and the violation of the energy conditions for that solution is studied, and also its astrophysical consequences. The string coupling for this solution is finite. (Author)

  4. Theory of charged vector mesons interacting with the electromagnetic field

    International Nuclear Information System (INIS)

    Lee, T.D.; Yang, C.N.

    1983-01-01

    It is shown that starting from the usual canonical formalism for the electromagnetic interaction of a charged vector meson with arbitrary magnetic moment one is led to a set of rules for Feynman diagrams, which appears to contain terms that are both infinite and noncovariant. These difficulties, however, can be circumvented by introducing a xi-limiting process which depends on a dimensionless positive parameter xi → 0. Furthermore, by using the mathematical artifice of a negative metric the theory becomes renormalizable (for xi > 0)

  5. Many-Body Theory for Positronium-Atom Interactions

    Science.gov (United States)

    Green, D. G.; Swann, A. R.; Gribakin, G. F.

    2018-05-01

    A many-body-theory approach has been developed to study positronium-atom interactions. As first applications, we calculate the elastic scattering and momentum-transfer cross sections and the pickoff annihilation rate 1Zeff for Ps collisions with He and Ne. For He the cross section is in agreement with previous coupled-state calculations, while comparison with experiment for both atoms highlights discrepancies between various sets of measured data. In contrast, the calculated 1Zeff (0.13 and 0.26 for He and Ne, respectively) are in excellent agreement with the measured values.

  6. Variational configuration interaction methods and comparison with perturbation theory

    International Nuclear Information System (INIS)

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

    1977-01-01

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

  7. Coherent Smith-Purcell radiation: Theories and simulations

    International Nuclear Information System (INIS)

    Donohue, J.T.; Gardelle, J.

    2008-01-01

    Smith-Purcell (SP) radiation has been observed many times over the past fifty years, and several theories have been proposed to explain it. However, it is only quite recently that Andrews, Brau and collaborators made a considerable advance in understanding how coherent SP radiation may be produced from an initially continuous beam. Their work received support from 2-D simulations which were performed using the Particle-in-Cell (PIC) code 'MAGIC'. Here we present a review of our 2-D simulations of coherent SP and discuss how they relate to the model of Andrews and Brau. We also describe briefly a SP experiment in the microwave domain using a sheet beam that is planned for 2008

  8. Interactive simulations for promoting transdisciplinary understanding: a case study of the Western Cape fisheries, South Africa

    Directory of Open Access Journals (Sweden)

    Cecile Proches

    2012-07-01

    Full Text Available Simulations have proven beneficial in enabling participants from various backgrounds to meaningfully engage in learning from experience. The aim of this paper is to investigate how interactive simulations can play a role in navigating the changes faced in a multi- stakeholder setting, characterised by users dependent on marine resources and an authorising institution. Relevant literature in the areas of simulation and gaming, change management, systems thinking, and complexity theory was examined. A qualitative research approach and purposive sampling were employed. Interviews were first conducted with diverse stakeholders in the Western Cape fisheries of South Africa to determine the issues. A simulation was thereafter designed. The main findings from this study indicate that simulation use illustrates how the various stakeholders in a system interact, and how their actions and decisions influence each other. The simulation may be used in other areas of natural resource management, as well as in other kinds of multi- stakeholder scenarios. Keywords: Simulation and gaming, Change management, Fisheries, Multi-stakeholder scenarios, Systems thinking, Complexity theory Disciplines: Conflict Resolution, Leadership Studies, Management Studies, Natural Resource Management

  9. Mathematical simulation of point defect interaction with grain boundaries

    International Nuclear Information System (INIS)

    Bojko, V.S.

    1987-01-01

    Published works, where the interaction of point defects and grain boundaries was studied by mathematical simulation methods, have been analysed. Energetics of the vacancy formation both in nuclei of large-angle special grain boundaries and in lattice regions adjoining them has been considered. The data obtained permit to explain specific features of grain-boundary diffusion processes. Results of mathematical simulation of the interaction of impurity atoms and boundaries have been considered. Specific features of the helium atom interaction with large-angle grain boundaries are analysed as well

  10. EVALUATING AUSTRALIAN FOOTBALL LEAGUE PLAYER CONTRIBUTIONS USING INTERACTIVE NETWORK SIMULATION

    Directory of Open Access Journals (Sweden)

    Jonathan Sargent

    2013-03-01

    Full Text Available This paper focuses on the contribution of Australian Football League (AFL players to their team's on-field network by simulating player interactions within a chosen team list and estimating the net effect on final score margin. A Visual Basic computer program was written, firstly, to isolate the effective interactions between players from a particular team in all 2011 season matches and, secondly, to generate a symmetric interaction matrix for each match. Negative binomial distributions were fitted to each player pairing in the Geelong Football Club for the 2011 season, enabling an interactive match simulation model given the 22 chosen players. Dynamic player ratings were calculated from the simulated network using eigenvector centrality, a method that recognises and rewards interactions with more prominent players in the team network. The centrality ratings were recorded after every network simulation and then applied in final score margin predictions so that each player's match contribution-and, hence, an optimal team-could be estimated. The paper ultimately demonstrates that the presence of highly rated players, such as Geelong's Jimmy Bartel, provides the most utility within a simulated team network. It is anticipated that these findings will facilitate optimal AFL team selection and player substitutions, which are key areas of interest to coaches. Network simulations are also attractive for use within betting markets, specifically to provide information on the likelihood of a chosen AFL team list "covering the line".

  11. Fermi interaction. Conservation of vector current and modified perturbation theory

    International Nuclear Information System (INIS)

    Rochev, V.E.

    1983-01-01

    The Fermi interaction (anti psi ysub(n) psi)sup(2) is investigated with the method of auxilary field. The analogues of the Ward-Takahashi electrodynamical identities and the gauge transformations of Green functions, that are the consequence of the conservation of vector current, have been obtained. The gauge function for the spinor propagator is the exponential superpropagator. The arguments are given in favour of the existence of a modified perturbation theory, which is finite in every order and non-analytical over its coupling constant, for the four-fermion interaction. The non-analytical part is defined unambiguously, and the analytical part contains a set of finite dimensionless constants to define which non-perturbative information is needed. The simplest model (the chain approximation) for the non-stable vector bound state is considered

  12. Gauge theory of weak, electromagnetic and dual electromagnetic interactions

    International Nuclear Information System (INIS)

    Soln, J.

    1980-01-01

    An SU 2 x U 1 algebra, in addition to the ordinary electric charge, also establishes the existence of the dual electric charge. This is taken as an indication of the existence of dual electromagnetic interactions in nature. Here, the unification of weak, electromagnetic and dual electromagnetic interactions is performed. The Yang-Mills-type group which contains the electromagnetic, dual electromagnetic and weak currents is SUsub(L,2) x U 1 x U' 1 . The masses of vector mesons are generated through the Higgs-Kibble mechanism. A simple consistency requirement suggests that dual electromagnetism and ordinary electromagnetism have the same strengths, leading the theory to a rather good agreement with experiments. (author)

  13. Financial Markets Interactions between Economic Theory and Practice

    Directory of Open Access Journals (Sweden)

    Mihaela NICOLAU

    2010-12-01

    Full Text Available During the last decades many financial analysts, either theorists or practitioners, have dedicated their studies to the interactions between different financial sectors. The results of these researches confirm that commodities, bonds and stock markets are closely related, therefore a thorough analysis of one should includes considerations of the other two. The aim of this article is to demonstrate that, even if from the theoretical point of view financial markets present typical and strong correlations between them, under economic turmoil the correlations change their signs. Both elementary rules of economic theory and examples with real time series are used in the demonstration. The results of our research emphasize that a simple theoretical analysis of financial markets’ behaviour through inflation and interest rates cannot define the real interactions of the markets and more robust research approaches are required.

  14. i3Drive, a 3D interactive driving simulator.

    Science.gov (United States)

    Ambroz, Miha; Prebil, Ivan

    2010-01-01

    i3Drive, a wheeled-vehicle simulator, can accurately simulate vehicles of various configurations with up to eight wheels in real time on a desktop PC. It presents the vehicle dynamics as an interactive animation in a virtual 3D environment. The application is fully GUI-controlled, giving users an easy overview of the simulation parameters and letting them adjust those parameters interactively. It models all relevant vehicle systems, including the mechanical models of the suspension, power train, and braking and steering systems. The simulation results generally correspond well with actual measurements, making the system useful for studying vehicle performance in various driving scenarios. i3Drive is thus a worthy complement to other, more complex tools for vehicle-dynamics simulation and analysis.

  15. Plant interactions alter the predictions of metabolic scaling theory.

    Directory of Open Access Journals (Sweden)

    Yue Lin

    Full Text Available Metabolic scaling theory (MST is an attempt to link physiological processes of individual organisms with macroecology. It predicts a power law relationship with an exponent of -4/3 between mean individual biomass and density during density-dependent mortality (self-thinning. Empirical tests have produced variable results, and the validity of MST is intensely debated. MST focuses on organisms' internal physiological mechanisms but we hypothesize that ecological interactions can be more important in determining plant mass-density relationships induced by density. We employ an individual-based model of plant stand development that includes three elements: a model of individual plant growth based on MST, different modes of local competition (size-symmetric vs. -asymmetric, and different resource levels. Our model is consistent with the observed variation in the slopes of self-thinning trajectories. Slopes were significantly shallower than -4/3 if competition was size-symmetric. We conclude that when the size of survivors is influenced by strong ecological interactions, these can override predictions of MST, whereas when surviving plants are less affected by interactions, individual-level metabolic processes can scale up to the population level. MST, like thermodynamics or biomechanics, sets limits within which organisms can live and function, but there may be stronger limits determined by ecological interactions. In such cases MST will not be predictive.

  16. Interactive Anatomy-Augmented Virtual Simulation Training.

    Science.gov (United States)

    Aebersold, Michelle; Voepel-Lewis, Terri; Cherara, Leila; Weber, Monica; Khouri, Christina; Levine, Robert; Tait, Alan R

    2018-02-01

    Traditionally, clinical psychomotor skills are taught through videos and demonstration by faculty which does not allow for the visualization of internal structures and anatomical landmarks that would enhance the learner skill performance. Sophomore and junior nursing students attending a large Midwestern Institution (N=69) participated in this mixed methods study. Students demonstrated their ability to place a nasogastric tube (NGT) after being randomly assigned to usual training (Control group) or an iPad anatomy-augmented virtual simulation training module (AR group). The ability of the participants to demonstrate competence in placing the NGT was assessed using a 17-item competency checklist. After the demonstration, students completed a survey to elicit information about students' level of training, prior experience with NGT placement, satisfaction with the AR technology, and perceptions of AR as a potential teaching tool for clinical skills training. The ability to correctly place the NGT through all the checklist items was statistically significant in the AR group compared with the control group (P = 0.011). Eighty-six percent of participants in the AR group rated AR as superior/far superior to other procedural training programs to which they had been exposed, whereas, only 5.9% of participants in the control group rated the control program as superior/far superior (P < 0.001). Overall the AR module was better received compared with the control group with regards to realism, identifying landmarks, visualization of internal organs, ease of use, usefulness, and promoting learning and understanding.

  17. A non-linear theory of strong interactions

    International Nuclear Information System (INIS)

    Skyrme, T.H.R.

    1994-01-01

    A non-linear theory of mesons, nucleons and hyperons is proposed. The three independent fields of the usual symmetrical pseudo-scalar pion field are replaced by the three directions of a four-component field vector of constant length, conceived in an Euclidean four-dimensional isotopic spin space. This length provides the universal scaling factor, all other constants being dimensionless; the mass of the meson field is generated by a φ 4 term; this destroys the continuous rotation group in the iso-space, leaving a 'cubic' symmetry group. Classification of states by this group introduces quantum numbers corresponding to isotopic spin and to 'strangeness'; one consequences is that, at least in elementary interactions, charge is only conserved module 4. Furthermore, particle states have not a well-defined parity, but parity is effectively conserved for meson-nucleon interactions. A simplified model, using only two dimensions of space and iso-space, is considered further; the non-linear meson field has solutions with particle character, and an indication is given of the way in which the particle field variables might be introduced as collective co-ordinates describing the dynamics of these particular solutions of the meson field equations, suggesting a unified theory based on the meson field alone. (author). 7 refs

  18. Theory of thermoluminescence gamma dose response: The unified interaction model

    International Nuclear Information System (INIS)

    Horowitz, Y.S.

    2001-01-01

    We describe the development of a comprehensive theory of thermoluminescence (TL) dose response, the unified interaction model (UNIM). The UNIM is based on both radiation absorption stage and recombination stage mechanisms and can describe dose response for heavy charged particles (in the framework of the extended track interaction model - ETIM) as well as for isotropically ionising gamma rays and electrons (in the framework of the TC/LC geminate recombination model) in a unified and self-consistent conceptual and mathematical formalism. A theory of optical absorption dose response is also incorporated in the UNIM to describe the radiation absorption stage. The UNIM is applied to the dose response supralinearity characteristics of LiF:Mg,Ti and is especially and uniquely successful in explaining the ionisation density dependence of the supralinearity of composite peak 5 in TLD-100. The UNIM is demonstrated to be capable of explaining either qualitatively or quantitatively all of the major features of TL dose response with many of the variable parameters of the model strongly constrained by ancilliary optical absorption and sensitisation measurements

  19. Self-Interaction Error in Density Functional Theory: An Appraisal.

    Science.gov (United States)

    Bao, Junwei Lucas; Gagliardi, Laura; Truhlar, Donald G

    2018-05-03

    Self-interaction error (SIE) is considered to be one of the major sources of error in most approximate exchange-correlation functionals for Kohn-Sham density-functional theory (KS-DFT), and it is large with all local exchange-correlation functionals and with some hybrid functionals. In this work, we consider systems conventionally considered to be dominated by SIE. For these systems, we demonstrate that by using multiconfiguration pair-density functional theory (MC-PDFT), the error of a translated local density-functional approximation is significantly reduced (by a factor of 3) when using an MCSCF density and on-top density, as compared to using KS-DFT with the parent functional; the error in MC-PDFT with local on-top functionals is even lower than the error in some popular KS-DFT hybrid functionals. Density-functional theory, either in MC-PDFT form with local on-top functionals or in KS-DFT form with some functionals having 50% or more nonlocal exchange, has smaller errors for SIE-prone systems than does CASSCF, which has no SIE.

  20. Analysis of interacting quantum field theory in curved spacetime

    International Nuclear Information System (INIS)

    Birrell, N.D.; Taylor, J.G.

    1980-01-01

    A detailed analysis of interacting quantized fields propagating in a curved background spacetime is given. Reduction formulas for S-matrix elements in terms of vacuum Green's functions are derived, special attention being paid to the possibility that the ''in'' and ''out'' vacuum states may not be equivalent. Green's functions equations are obtained and a diagrammatic representation for them given, allowing a formal, diagrammatic renormalization to be effected. Coordinate space techniques for showing renormalizability are developed in Minkowski space, for lambdaphi 3 /sub() 4,6/ field theories. The extension of these techniques to curved spacetimes is considered. It is shown that the possibility of field theories becoming nonrenormalizable there cannot be ruled out, although, allowing certain modifications to the theory, phi 3 /sub( 4 ) is proven renormalizable in a large class of spacetimes. Finally particle production from the vacuum by the gravitational field is discussed with particular reference to Schwarzschild spacetime. We shed some light on the nonlocalizability of the production process and on the definition of the S matrix for such processes

  1. Simulation and theory of island growth on stepped substrates

    International Nuclear Information System (INIS)

    Pownall, C.D.

    1999-10-01

    The nucleation, growth and coalescence of islands on stepped substrates is investigated by Monte Carlo simulations and analytical theories. Substrate steps provide a preferential site for the nucleation of islands, making many of the important processes one-dimensional in nature, and are of potentially major importance in the development of low-dimensional structures as a means of growing highly ordered chains of 'quantum dots' or continuous 'quantum wires'. A model is developed in which island nucleation is entirely restricted to the step edge, islands grow in compact morphologies by monomer capture, and eventually coalesce with one another until a single continuous cluster of islands covers the entire step. A series of analytical theories is developed to describe the dynamics of the whole evolution. The initial nucleation and aggregation regimes are modeled using the traditional approach of rate equations, rooted in mean field theory, but incorporating corrections to account for correlations in the nucleation and capture processes. This approach is found to break down close to the point at which the island density saturates and a new approach is developed based upon geometric and probabilistic arguments to describe the saturation behaviour, including the characteristic dynamic scaling which is found to persist through the coalescence regime as well. A further new theory, incorporating arguments based on the geometry of Capture Zones, is presented which reproduces the dynamics of the coalescence regime. The, latter part of the. thesis considers the spatial properties of the system, in particular the spacing of the islands along the step. An expression is derived which describes the distribution of gap sizes, and this is solved using a recently-developed relaxation method. An important result is the discovery that larger critical island sizes tend to yield more evenly spaced arrays of islands. The extent of this effect is analysed by solving for critical island

  2. Mercury interactions in a simulated gold platter

    Energy Technology Data Exchange (ETDEWEB)

    Miller, J.W. [University of North Carolina, Asheville, NC (United States). Dept. of Environmental Studies; Callahan, J.E. [Appalachian State Univ., Boone, NC (United States). Dept. of Geology; Craig, J.R. [Virginia Polytechnic Institute and State University, Blacksburg, VA (United States). Dept. of Geological Sciences

    2002-07-01

    A simulated stream sediment bed was constructed in a laboratory to determine whether dissolved Hg could be transported through sediment and deposited as amalgam on Au grains. Metallic Hg was placed in a sump at one end of a tank filled with gravel (quartz sand, granules, and pebbles), and Au grains were buried in the gravel at the other end. Water was circulated in a continuous closed loop over the Hg and through the gravel that included the Au grains for more than 850 days. The Hg content of the water increased from nil at the beginning to approximately 0.5 {mu}g/l after approximately 22 days. The Hg content on the rims of Au grains went from nil to approximately 0.2 wt.% over 22 days reaching a maximum 0.48 wt.% Hg after 14 days. Subsequent measurements indicated a persistent decrease of the maximum Hg on Au grains to {<=}0.19 wt.% Hg at 552 days and to {<=}0.05 wt.% at 851 days. Deposition of Hg on the Au grains indicates that amalgams can form without actual contact of Hg on Au in stream sediments. Why Hg first deposited on Au and then dissolved from the Au is unknown, but a paucity of microbiota early in the experiment and subsequent development of microbiota that could facilitate dissolution of Hg is suspected. The simulated Au placer, with its coarse sediments and free water flow, is analogous to streams that have measurable (>0.2 {mu}g/l) Hg in the water and no amalgams on Au grains within the sediments. An example of a Au mining region with similar water concentrations of Hg would be the Amazon Basin, although information on the presence of amalgam rims on Au grains is lacking, as for most regions. Lower but still measurable ({<=}0.55 {mu}g/l Hg) concentrations of Hg in stream water and a lack of amalgams on Au grains occur in Au placers near Talladega, Alabama. The opposite case would be streams with less-than-measurable (<0.2 {mu}g/l) Hg in the water but amalgams on Au grains, where conditions are less aerated and Hg would be more likely to remain in the

  3. Theory of electron-phonon-dislon interacting system—toward a quantized theory of dislocations

    Science.gov (United States)

    Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; Andrejevic, Nina; Zhu, Yimei; Mahan, Gerald D.; Chen, Gang

    2018-02-01

    We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a ‘dislon’. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron-dislocation and phonon-dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron-phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation’s long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials’ functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.

  4. Electrohydrodynamics of drops in strong electric fields: Simulations and theory

    Science.gov (United States)

    Saintillan, David; Das, Debasish

    2016-11-01

    Weakly conducting dielectric liquid drops suspended in another dielectric liquid exhibit a wide range of dynamical behaviors when subject to an applied uniform electric field contingent on field strength and material properties. These phenomena are best described by the much celebrated Maylor-Taylor leaky dielectric model that hypothesizes charge accumulation on the drop-fluid interface and prescribes a balance between charge relaxation, the jump in Ohmic currents and charge convection by the interfacial fluid flow. Most previous numerical simulations based on this model have either neglected interfacial charge convection or restricted themselves to axisymmetric drops. In this work, we develop a three-dimensional boundary element method for the complete leaky dielectric model to systematically study the deformation and dynamics of liquid drops in electric fields. The inclusion of charge convection in our simulation permits us to investigate drops in the Quincke regime, in which experiments have demonstrated symmetry-breaking bifurcations leading to steady electrorotation. Our simulation results show excellent agreement with existing experimental data and small deformation theories. ACSPRF Grant 53240-ND9.

  5. The simulation approach to lipid-protein interactions.

    Science.gov (United States)

    Paramo, Teresa; Garzón, Diana; Holdbrook, Daniel A; Khalid, Syma; Bond, Peter J

    2013-01-01

    The interactions between lipids and proteins are crucial for a range of biological processes, from the folding and stability of membrane proteins to signaling and metabolism facilitated by lipid-binding proteins. However, high-resolution structural details concerning functional lipid/protein interactions are scarce due to barriers in both experimental isolation of native lipid-bound complexes and subsequent biophysical characterization. The molecular dynamics (MD) simulation approach provides a means to complement available structural data, yielding dynamic, structural, and thermodynamic data for a protein embedded within a physiologically realistic, modelled lipid environment. In this chapter, we provide a guide to current methods for setting up and running simulations of membrane proteins and soluble, lipid-binding proteins, using standard atomistically detailed representations, as well as simplified, coarse-grained models. In addition, we outline recent studies that illustrate the power of the simulation approach in the context of biologically relevant lipid/protein interactions.

  6. Building Interactive Simulations in Web Pages without Programming.

    Science.gov (United States)

    Mailen Kootsey, J; McAuley, Grant; Bernal, Julie

    2005-01-01

    A software system is described for building interactive simulations and other numerical calculations in Web pages. The system is based on a new Java-based software architecture named NumberLinX (NLX) that isolates each function required to build the simulation so that a library of reusable objects could be assembled. The NLX objects are integrated into a commercial Web design program for coding-free page construction. The model description is entered through a wizard-like utility program that also functions as a model editor. The complete system permits very rapid construction of interactive simulations without coding. A wide range of applications are possible with the system beyond interactive calculations, including remote data collection and processing and collaboration over a network.

  7. A reciprocal theorem for a mixture theory. [development of linearized theory of interacting media

    Science.gov (United States)

    Martin, C. J.; Lee, Y. M.

    1972-01-01

    A dynamic reciprocal theorem for a linearized theory of interacting media is developed. The constituents of the mixture are a linear elastic solid and a linearly viscous fluid. In addition to Steel's field equations, boundary conditions and inequalities on the material constants that have been shown by Atkin, Chadwick and Steel to be sufficient to guarantee uniqueness of solution to initial-boundary value problems are used. The elements of the theory are given and two different boundary value problems are considered. The reciprocal theorem is derived with the aid of the Laplace transform and the divergence theorem and this section is concluded with a discussion of the special cases which arise when one of the constituents of the mixture is absent.

  8. MHD turbulent dynamo in astrophysics: Theory and numerical simulation

    Science.gov (United States)

    Chou, Hongsong

    2001-10-01

    This thesis treats the physics of dynamo effects through theoretical modeling of magnetohydrodynamic (MHD) systems and direct numerical simulations of MHD turbulence. After a brief introduction to astrophysical dynamo research in Chapter 1, the following issues in developing dynamic models of dynamo theory are addressed: In Chapter 2, nonlinearity that arises from the back reaction of magnetic field on velocity field is considered in a new model for the dynamo α-effect. The dependence of α-coefficient on magnetic Reynolds number, kinetic Reynolds number, magnetic Prandtl number and statistical properties of MHD turbulence is studied. In Chapter 3, the time-dependence of magnetic helicity dynamics and its influence on dynamo effects are studied with a theoretical model and 3D direct numerical simulations. The applicability of and the connection between different dynamo models are also discussed. In Chapter 4, processes of magnetic field amplification by turbulence are numerically simulated with a 3D Fourier spectral method. The initial seed magnetic field can be a large-scale field, a small-scale magnetic impulse, and a combination of these two. Other issues, such as dynamo processes due to helical Alfvénic waves and the implication and validity of the Zeldovich relation, are also addressed in Appendix B and Chapters 4 & 5, respectively. Main conclusions and future work are presented in Chapter 5. Applications of these studies are intended for astrophysical magnetic field generation through turbulent dynamo processes, especially when nonlinearity plays central role. In studying the physics of MHD turbulent dynamo processes, the following tools are developed: (1)A double Fourier transform in both space and time for the linearized MHD equations (Chapter 2 and Appendices A & B). (2)A Fourier spectral numerical method for direct simulation of 3D incompressible MHD equations (Appendix C).

  9. Plant interactions alter the predictions of metabolic scaling theory

    DEFF Research Database (Denmark)

    Lin, Yue; Berger, Uta; Grimm, Volker

    2013-01-01

    Metabolic scaling theory (MST) is an attempt to link physiological processes of individual organisms with macroecology. It predicts a power law relationship with an exponent of 24/3 between mean individual biomass and density during densitydependent mortality (self-thinning). Empirical tests have...... processes can scale up to the population level. MST, like thermodynamics or biomechanics, sets limits within which organisms can live and function, but there may be stronger limits determined by ecological interactions. In such cases MST will not be predictive....... of plant stand development that includes three elements: a model of individual plant growth based on MST, different modes of local competition (size-symmetric vs. -asymmetric), and different resource levels. Our model is consistent with the observed variation in the slopes of self-thinning trajectories...

  10. Towards a unified gauge theory of gravitational and strong interactions

    International Nuclear Information System (INIS)

    Hehl, F.W.; Sijacki, D.

    1980-01-01

    The space-time properties of leptons and hadrons is studied and it is found necessary to extend general relativity to the gauge theory based on the four-dimensional affine group. This group translates and deforms the tetrads of the locally Minkowskian space-time. Its conserved currents, momentum, and hypermomentum, act as sources in the two field equations of gravity. A Lagrangian quadratic in torsion and curvature allows for the propagation of two independent gauge fields: translational e-gravity mediated by the tetrad coefficients, and deformational GAMMA-gravity mediated by the connection coefficients. For macroscopic matter e-gravity coincides with general relativity up to the post-Newtonian approximation of fourth order. For microscopic matter GAMMA-gravity represents a strong Yang-Mills type interaction. In the linear approximation, for a static source, a confinement potential is found. (author)

  11. Meson-baryon interactions in unitarized chiral perturbation theory

    International Nuclear Information System (INIS)

    Garcia Recio, G.; Nieves, J.; Ruiz Arriola, E.; Vicente Vacas, M.

    2003-01-01

    Meson-Baryon Interactions can be successfully described using both Chiral Symmetry and Unitarity. The s-wave meson-baryon scattering amplitude is analyzed in a Bethe-Salpeter coupled channel formalism incorporating Chiral Symmetry in the potential. Two body coupled channel unitarity is exactly preserved. The needed two particle irreducible matrix amplitude is taken from lowest order Chiral Perturbation Theory in a relativistic formalism. Off-shell behavior is parameterized in terms of low energy constants. The relation to the heavy baryon limit is discussed. The position of the complex poles in the second Riemann sheet of the scattering amplitude determine masses and widths baryonic resonances of the N(1535), N(1670), Λ(1405) and Λ(1670) resonances which compare well with accepted numbers

  12. Compact X-ray sources. Simulating the electron/strong laser interaction

    Energy Technology Data Exchange (ETDEWEB)

    Hartin, Anthony [DESY, CFEL, Hamburg (Germany)

    2016-07-01

    The collision of an intense laser with an electron bunch can be used to produce X-rays via the inverse Compton scattering (ICS) mechanism. The ICS can be simulated via either a classical theory in which electrons and photons are treated in terms of classical electromagnetic waves - or a quantum theory in which charged particles interact with strong electromagnetic fields. The laser intensity used in a practical ICS collision is likely to be at such a level that quantum effects may be significant and the use of quantum theory may become a necessity. A simulation study is presented here comparing the classical and quantum approaches to the ICS. A custom particle-in-cell (PIC) software code, with photon generation by monte carlo of the exact quantum transition probability is used to simulate the quantum treatment. Peak resonant energies and the angular distribution of the X-rays are obtained and compared with those predicted by the classical theory. The conditions under which significant differences between the two theories emerges is obtained.

  13. Hybrid Simulations of Plasma-Neutral-Dust Interactions at Enceladus

    International Nuclear Information System (INIS)

    Omidi, N.; Russell, C. T.; Jia, Y. D.; Tokar, R. L.; Farrell, W. M.; Kurth, W. S.; Gurnett, D. A.; Leisner, J. S.

    2010-01-01

    Through ejection from its southern hemisphere, Enceladus is a dominant source of neutral gas and dust in Saturn's inner magnetosphere. The interaction of the corotating plasma with the gas and dust modifies the plasma environment around Enceladus. We use 3-D hybrid (kinetic ions, fluid electrons) simulations to examine the effects of gas and dust on the nature of the interaction region and use Cassini observations to constrain their properties.

  14. Monte Carlo simulations of interacting particle mixtures in ratchet potentials

    International Nuclear Information System (INIS)

    Fendrik, A J; Romanelli, L

    2012-01-01

    There are different models of devices for achieving a separation of mixtures of particles by using the ratchet effect. On the other hand, it has been proposed that one could also control the separation by means of appropriate interactions. Through Monte Carlo simulations, we show that inclusion of simple interactions leads to a decrease of the ratchet effect and therefore also a separation of the mixtures.

  15. Theory of equilibria of elastic 2-braids with interstrand interaction

    Science.gov (United States)

    Starostin, E. L.; van der Heijden, G. H. M.

    2014-03-01

    Motivated by continuum models for DNA supercoiling we formulate a theory for equilibria of 2-braids, i.e., structures formed by two elastic rods winding around each other in continuous contact and subject to a local interstrand interaction. No assumption is made on the shape of the contact curve. The theory is developed in terms of a moving frame of directors attached to one of the strands. The other strand is tracked by including in this frame the normalised closest-approach chord connecting the two strands. The kinematic constant-distance constraint is formulated at strain level through the introduction of what we call braid strains. As a result the total potential energy involves arclength derivatives of these strains, thus giving rise to a second-order variational problem. The Euler-Lagrange equations for this problem give balance equations for the overall braid force and moment referred to the moving frame as well as differential equations that can be interpreted as effective constitutive relations encoding the effect that the second strand has on the first as the braid deforms under the action of end loads. Hard contact models are used to obtain the normal contact pressure between strands that has to be non-negative for a physically realisable solution without the need for external devices such as clamps or glue to keep the strands together. The theory is first illustrated by a number of problems that can be solved analytically and then applied to several new problems that have not hitherto been treated.

  16. 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.

  17. Probability theory versus simulation of petroleum potential in play analysis

    Science.gov (United States)

    Crovelli, R.A.

    1987-01-01

    An analytic probabilistic methodology for resource appraisal of undiscovered oil and gas resources in play analysis is presented. This play-analysis methodology is a geostochastic system for petroleum resource appraisal in explored as well as frontier areas. An objective was to replace an existing Monte Carlo simulation method in order to increase the efficiency of the appraisal process. Underlying the two methods is a single geologic model which considers both the uncertainty of the presence of the assessed hydrocarbon and its amount if present. The results of the model are resource estimates of crude oil, nonassociated gas, dissolved gas, and gas for a geologic play in terms of probability distributions. The analytic method is based upon conditional probability theory and a closed form solution of all means and standard deviations, along with the probabilities of occurrence. ?? 1987 J.C. Baltzer A.G., Scientific Publishing Company.

  18. Application of spectral distributions in effective interaction theory

    International Nuclear Information System (INIS)

    Chang, B.D.

    1980-01-01

    The calculation of observable quantities in a large many-particle space is very complicated and often impractical. In effective interaction theory, to simplify the calculation, the full many-particle space is truncated to a small, manageable model space and the operators associated with the observables are renormalized to accommodate the truncation effects. The operator that has been most extensively studied for renormalization is the Hamiltonian. The renormalized Hamiltonian, often called the effective Hamiltonian, can be defined such that it not only gives the eigenvalues, but also the projections of the full-space (true) eigen-functions onto the model space. These projected wave functions then provide a convenient basis for renormalization of other operators. The usual framework for renormalization is perturbation theory. Unfortunately, the conventional perturbation series for effective Hamiltonians have problems with convergence and their high order terms (especially 4th or higher) are also difficult to calculate. The characteristics of spectral distributions can be helptul in determining the model space and calculating the effective Hamiltonian. In this talk applications of spectral distributions are discussed in the following areas: (1) truncation of many particle spaces by selection of configurations; (2) orthogonal polynomial expansions for the effective Hamiltonian; and (3) establishing new criteria for the effective Hamiltonian

  19. Simulation of flame-vortex interaction using detailed and reduced

    Energy Technology Data Exchange (ETDEWEB)

    Hilka, M. [Gaz de France (GDF), 75 - Paris (France); Veynante, D. [Ecole Centrale de Paris, Laboratoire EM2C. CNRS, 92 - Chatenay-Malabry (France); Baum, M. [CERFACS (France); Poinsot, T.J. [Centre National de la Recherche Scientifique (CNRS), 45 - Orleans-la-Source (France). Institut de Mecanique des Fluides de Toulouse

    1996-12-31

    The interaction between a pair of counter-rotating vortices and a lean premixed CH{sub 4}/O{sub 2}/N{sub 2} flame ({Phi} = + 0.55) has been studied by direct numerical simulations using detailed and reduced chemical reaction schemes. Results from the complex chemistry simulation are discussed with respect to earlier experiments and differences in the simulations using detailed and reduces chemistry are investigated. Transient evolutions of the flame surface and the total heat release rate are compared and modifications in the evolution of the local flame structure are displayed. (authors) 22 refs.

  20. Simulation and quasilinear theory of proton firehose instability

    Energy Technology Data Exchange (ETDEWEB)

    Seough, Jungjoon [Korean Astronomy and Space Science Institute, Daejeon (Korea, Republic of); Faculty of Human Development, University of Toyama, 3190, Gofuku, Toyama City, Toyama, 930-8555 (Japan); Yoon, Peter H. [University of Maryland, College Park, Maryland 20742 (United States); School of Space Research, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of); Hwang, Junga [Korean Astronomy and Space Science Institute, Daejeon (Korea, Republic of); Korea, University of Science and Technology, Daejeon (Korea, Republic of)

    2015-01-15

    The electromagnetic proton firehose instability is driven by excessive parallel temperature anisotropy, T{sub ∥} > T{sub ⊥} (or more precisely, parallel pressure anisotropy, P{sub ∥} > P{sub ⊥}) in high-beta plasmas. Together with kinetic instabilities driven by excessive perpendicular temperature anisotropy, namely, electromagnetic proton cyclotron and mirror instabilities, its role in providing the upper limit for the temperature anisotropy in the solar wind is well-known. A recent Letter [Seough et al., Phys. Rev. Lett. 110, 071103 (2013)] employed quasilinear kinetic theory for these instabilities to explain the observed temperature anisotropy upper bound in the solar wind. However, the validity of quasilinear approach has not been rigorously tested until recently. In a recent paper [Seough et al., Phys. Plasmas 21, 062118 (2014)], a comparative study is carried out for the first time in which quasilinear theory of proton cyclotron instability is tested against results obtained from the particle-in-cell simulation method, and it was demonstrated that the agreement was rather excellent. The present paper addresses the same issue involving the proton firehose instability. Unlike the proton cyclotron instability, however, it is found that the quasilinear approximation enjoys only a limited range of validity, especially for the wave dynamics and for the relatively high-beta regime. Possible causes and mechanisms responsible for the discrepancies are speculated and discussed.

  1. Nonlinear polarization of ionic liquids: theory, simulations, experiments

    Science.gov (United States)

    Kornyshev, Alexei

    2010-03-01

    Room temperature ionic liquids (RTILs) composed of large, often asymmetric, organic cations and simple or complex inorganic or organic anions do not freeze at ambient temperatures. Their rediscovery some 15 years ago is widely accepted as a ``green revolution'' in chemistry, offering an unlimited number of ``designer'' solvents for chemical and photochemical reactions, homogeneous catalysis, lubrication, and solvent-free electrolytes for energy generation and storage. As electrolytes they are non-volatile, some can sustain without decomposition up to 6 times higher voltages than aqueous electrolytes, and many are environmentally friendly. The studies of RTILs and their applications have reached a critical stage. So many of them can be synthesized - about a thousand are known already - their mixtures can further provide ``unlimited'' number of combinations! Thus, establishing some general laws that could direct the best choice of a RTIL for a given application became crucial; guidance is expected from theory and modelling. But for a physical theory, RTILs comprise a peculiar and complex class of media, the description of which lies at the frontier line of condensed matter theoretical physics: dense room temperature ionic plasmas with ``super-strong'' Coulomb correlations, which behave like glasses at short time-scale, but like viscous liquids at long-time scale. This talk will introduce RTILs to physicists and overview the current understanding of the nonlinear response of RTILs to electric field. It will focus on the theory, simulations, and experimental characterisation of the structure and nonlinear capacitance of the electrical double layer at a charged electrode. It will also discuss pros and contras of supercapacitor applications of RTILs.

  2. A Simulational approach to teaching statistical mechanics and kinetic theory

    International Nuclear Information System (INIS)

    Karabulut, H.

    2005-01-01

    A computer simulation demonstrating how Maxwell-Boltzmann distribution is reached in gases from a nonequilibrium distribution is presented. The algorithm can be generalized to the cases of gas particles (atoms or molecules) with internal degrees of freedom such as electronic excitations and vibrational-rotational energy levels. Another generalization of the algorithm is the case of mixture of two different gases. By choosing the collision cross sections properly one can create quasi equilibrium distributions. For example by choosing same atom cross sections large and different atom cross sections very small one can create mixture of two gases with different temperatures where two gases slowly interact and come to equilibrium in a long time. Similarly, for the case one kind of atom with internal degrees of freedom one can create situations that internal degrees of freedom come to the equilibrium much later than translational degrees of freedom. In all these cases the equilibrium distribution that the algorithm gives is the same as expected from the statistical mechanics. The algorithm can also be extended to cover the case of chemical equilibrium where species A and B react to form AB molecules. The laws of chemical equilibrium can be observed from this simulation. The chemical equilibrium simulation can also help to teach the elusive concept of chemical potential

  3. Long-range interactions and parallel scalability in molecular simulations

    NARCIS (Netherlands)

    Patra, M.; Hyvönen, M.T.; Falck, E.; Sabouri-Ghomi, M.; Vattulainen, I.; Karttunen, M.E.J.

    2007-01-01

    Typical biomolecular systems such as cellular membranes, DNA, and protein complexes are highly charged. Thus, efficient and accurate treatment of electrostatic interactions is of great importance in computational modeling of such systems. We have employed the GROMACS simulation package to perform

  4. Simulation of the interaction between uranium dioxide and zircaloy

    International Nuclear Information System (INIS)

    Denis, A.; Garcia, E.A.

    1984-01-01

    The code solves the oxygen diffusion equations of the five phases formed during the UO 2 /Zircaloy interaction, using an implicit finite difference method with parabolic interpolation at the interfaces. Uranium and Zirconium mass conservation are considered. The code gives a good simulation of the experimental results for isothermal conditions. (orig.)

  5. Two dimensional simulation of ion beam-plasm interaction | Echi ...

    African Journals Online (AJOL)

    Hybrid plasma simulation is a model in which different components of the plasma are treated differently. In this work the ions are treated as particles while the electrons are treated as a neutralizing background fluid through which electric signals may propagate. Deuterium ion beams incident on the tritium plasma interact ...

  6. Toward a Theory of Entrepreneurial Rents: a Simulation of the Market Process

    NARCIS (Netherlands)

    Keyhani, M; Levesque, M.; Madhok, A.

    2015-01-01

    While strategy theory relies heavily on equilibrium theories of economic rents such as Ricardian and monopoly rents, we do not yet have a comprehensive theory of disequilibrium or entrepreneurial rents. We use cooperative game theory to structure computer simulations of the market process in which

  7. Classical density functional theory & simulations on a coarse-grained model of aromatic ionic liquids.

    Science.gov (United States)

    Turesson, Martin; Szparaga, Ryan; Ma, Ke; Woodward, Clifford E; Forsman, Jan

    2014-05-14

    A new classical density functional approach is developed to accurately treat a coarse-grained model of room temperature aromatic ionic liquids. Our major innovation is the introduction of charge-charge correlations, which are treated in a simple phenomenological way. We test this theory on a generic coarse-grained model for aromatic RTILs with oligomeric forms for both cations and anions, approximating 1-alkyl-3-methyl imidazoliums and BF₄⁻, respectively. We find that predictions by the new density functional theory for fluid structures at charged surfaces are very accurate, as compared with molecular dynamics simulations, across a range of surface charge densities and lengths of the alkyl chain. Predictions of interactions between charged surfaces are also presented.

  8. Operationalising elaboration theory for simulation instruction design: a Delphi study.

    Science.gov (United States)

    Haji, Faizal A; Khan, Rabia; Regehr, Glenn; Ng, Gary; de Ribaupierre, Sandrine; Dubrowski, Adam

    2015-06-01

    The aim of this study was to assess the feasibility of incorporating the Delphi process within the simplifying conditions method (SCM) described in elaboration theory (ET) to identify conditions impacting the complexity of procedural skills for novice learners. We generated an initial list of conditions impacting the complexity of lumbar puncture (LP) from key informant interviews (n = 5) and a literature review. Eighteen clinician-educators from six different medical specialties were subsequently recruited as expert panellists. Over three Delphi rounds, these panellists rated: (i) their agreement with the inclusion of the simple version of the conditions in a representative ('epitome') training scenario, and (ii) how much the inverse (complex) version increases LP complexity for a novice. Cronbach's α-values were used to assess inter-rater agreement. All panellists completed Rounds 1 and 2 of the survey and 17 completed Round 3. In Round 1, Cronbach's α-values were 0.89 and 0.94 for conditions that simplify and increase LP complexity, respectively; both values increased to 0.98 in Rounds 2 and 3. With the exception of 'high CSF (cerebral spinal fluid) pressure', panellists agreed with the inclusion of all conditions in the simplest (epitome) training scenario. Panellists rated patient movement, spinal anatomy, patient cooperativeness, body habitus, and the presence or absence of an experienced assistant as having the greatest impact on the complexity of LP. This study demonstrated the feasibility of using expert consensus to establish conditions impacting the complexity of procedural skills, and the benefits of incorporating the Delphi method into the SCM. These data can be used to develop and sequence simulation scenarios in a progressively challenging manner. If the theorised learning gains associated with ET are realised, the methods described in this study may be applied to the design of simulation training for other procedural and non-procedural skills

  9. Towards Real Time Simulation of Ship-Ship Interaction

    DEFF Research Database (Denmark)

    Lindberg, Ole; Bingham, Harry B.; Engsig-Karup, Allan Peter

    2012-01-01

    We present recent and preliminary work directed towards the development of a simplified, physics-based model for improved simulation of ship-ship interaction that can be used for both analysis and real-time computing (i.e. with real-time constraints due to visualization). The goal is to implement...... accurate (realistic) and much faster ship-wave and ship-ship simulations than are currently possible. The coupling of simulation with visualization should improve the visual experience such that it can be perceived as more realistic in training. Today the state-of-art in real-time ship-ship interaction...... is for efficiency reasons and time-constraints in visualization based on model experiments in towing tanks and precomputed force tables. We anticipate that the fast, and highly parallel, algorithm described by Engsig-Karup et al. [2011] for execution on affordable modern high-throughput Graphics Processing Units...

  10. Simulation of laser interaction with ablative plasma and hydrodynamic behavior of laser supported plasma

    Energy Technology Data Exchange (ETDEWEB)

    Tong Huifeng; Yuan Hong [Institute of Fluid Physics, Chinese Academy of Engineering Physics, P.O. Box 919-101, Mianyang, Sichuan 621900 (China); Tang Zhiping [CAS Key Laboratory for Mechanical Behavior and Design of Materials, Department of Mechanics and Mechanical Engineering, University of Science and Technology of China, Hefei 230026 (China)

    2013-01-28

    When an intense laser beam irradiates on a solid target, ambient air ionizes and becomes plasma, while part of the target rises in temperature, melts, vaporizes, ionizes, and yet becomes plasma. A general Godunov finite difference scheme WENO (Weighted Essentially Non-Oscillatory Scheme) with fifth-order accuracy is used to simulate 2-dimensional axis symmetrical laser-supported plasma flow field in the process of laser ablation. The model of the calculation of ionization degree of plasma and the interaction between laser beam and plasma are considered in the simulation. The numerical simulations obtain the profiles of temperature, density, and velocity at different times which show the evolvement of the ablative plasma. The simulated results show that the laser energy is strongly absorbed by plasma on target surface and that the velocity of laser supported detonation (LSD) wave is half of the ideal LSD value derived from Chapman-Jouguet detonation theory.

  11. Self-Assembly of DNA-Coated Particles: Experiment, Simulation and Theory

    Science.gov (United States)

    Song, Minseok

    The bottom-up assembly of material architectures with tunable complexity, function, composition, and structure is a long sought goal in rational materials design. One promising approach aims to harnesses the programmability and specificity of DNA hybridization in order to direct the assembly of oligonucleotide-functionalized nano- and micro-particles by tailoring, in part, interparticle interactions. DNA-programmable assembly into three-dimensionally ordered structures has attracted extensive research interest owing to emergent applications in photonics, plasmonics and catalysis and potentially many other areas. Progress on the rational design of DNA-mediated interactions to create useful two-dimensional structures (e.g., structured films), on the other hand, has been rather slow. In this thesis, we establish strategies to engineer a diversity of 2D crystalline arrangements by designing and exploiting DNA-programmable interparticle interactions. We employ a combination of simulation, theory and experiments to predict and confirm accessibility of 2D structural diversity in an effort to establish a rational approach to 2D DNA-mediated particle assembly. We start with the experimental realization of 2D DNA-mediated assembly by decorating micron-sized silica particles with covalently attached single-stranded DNA through a two-step reaction. Subsequently, we elucidate sensitivity and ultimate controllability of DNA-mediated assembly---specifically the melting transition from dispersed singlet particles to aggregated or assembled structures---through control of the concentration of commonly employed nonionic surfactants. We relate the observed tunability to an apparent coupling with the critical micelle temperature in these systems. Also, both square and hexagonal 2D ordered particle arrangements are shown to evolve from disordered aggregates under appropriate annealing conditions defined based upon pre-established melting profiles. Subsequently, the controlled mixing of

  12. Study of X(3872) from effective field theory with pion-exchange interaction.

    Science.gov (United States)

    Wang, P; Wang, X G

    2013-07-26

    We study DD[over ¯]* (D*D[over ¯]) scattering in the framework of unitarized heavy meson chiral perturbation theory with pion exchange and a contact interaction. 3S1-3D1 mixing effects are taken into account. A loosely bound state X(3872), with the pole position being Mpole}=(3871.70-i0.39)  MeV, is found. The result is not sensitive to the strength of the contact interaction. Our calculation provides a theoretical confirmation of the existence of the 1++ state X(3872). The light quark mass dependence of the pole position indicates it has a predominately DD[over ¯]* (D*D[over ¯]) molecular nature. When the π mass is larger than 142 MeV, the pole disappears, which makes impossible the lattice simulation of this state at large quark mass.

  13. A covariant open bosonic string field theory including the endpoint and middlepoint interaction

    International Nuclear Information System (INIS)

    Liu, B.G.; Northwest Univ., Xian; Chen, Y.X.

    1988-01-01

    Extending the usual endpoint and midpoint interactions, we introduce numerous kinds of interactions, labelled by a parameter λ and obtain a non-commutative and associative string field algebra by adding up all interactions. With this algebra we develop a covariant open bosonic string field theory, which reduces to Witten's open bosonic string field theory under a special string length choice. (orig.)

  14. Backward wave oscillators with rippled wall resonators: Analytic theory and numerical simulation

    International Nuclear Information System (INIS)

    Swegle, J.A.; Poukey, J.W.

    1985-01-01

    The 3-D analytic theory is based on the approximation that the device is infinitely long. In the absence of an electron beam, the theory is exact and allows us to compute the dispersion characteristics of the cold structure. With the inclusion of a thin electron beam, we can compute the growth rates resulting from the interaction between a waveguide mode of the structure and the slower space charge wave on the beam. In the limit of low beam currents, the full dispersion relation based on an electromagnetic analysis can be placed in correspondence with the circuit theory of Pierce. Numerical simulations permit us to explore the saturated, large amplitude operating regime for TM axisymmetric modes. The scaling of operating frequency, peak power, and operating efficiency with beam and resonator parameters is examined. The analytic theory indicates that growth rates are largest for the TM 01 modes and decrease with both the radial and azimuthal mode numbers. Another interesting trend is that for a fixed cathode voltage and slow wave structure, growth rates peak for a beam current below the space charge limiting value and decrease for both larger and smaller currents. The simulations show waves that grow from noise without any input signal, so that the system functions as an oscillator. The TM 01 mode predominates in all simulations. While a minimum device length is required for the start of oscillations, it appears that if the slow wave structure is too long, output power is decreased by a transfer of wave energy back to the electrons. Comparisons have been made between the analytical and numerical results, as well as with experimental data obtained at Sandia National Laboratories

  15. Classic theory for chromosome rearrangements with spatially restricted volume for broken ends interaction

    International Nuclear Information System (INIS)

    Omel'yanchuk, L.V.

    1997-01-01

    D. Lea classic theory for chromosomal rearrangements formation was modified to account for local interaction of broken chromosome ends. This assumption makes it possible to drastically improve coincidence of the theory and experiment in the case of complex rearrangements

  16. Brownian dynamics simulations of a flexible polymer chain which includes continuous resistance and multibody hydrodynamic interactions

    Science.gov (United States)

    Butler, Jason E.; Shaqfeh, Eric S. G.

    2005-01-01

    Using methods adapted from the simulation of suspension dynamics, we have developed a Brownian dynamics algorithm with multibody hydrodynamic interactions for simulating the dynamics of polymer molecules. The polymer molecule is modeled as a chain composed of a series of inextensible, rigid rods with constraints at each joint to ensure continuity of the chain. The linear and rotational velocities of each segment of the polymer chain are described by the slender-body theory of Batchelor [J. Fluid Mech. 44, 419 (1970)]. To include hydrodynamic interactions between the segments of the chain, the line distribution of forces on each segment is approximated by making a Legendre polynomial expansion of the disturbance velocity on the segment, where the first two terms of the expansion are retained in the calculation. Thus, the resulting linear force distribution is specified by a center of mass force, couple, and stresslet on each segment. This method for calculating the hydrodynamic interactions has been successfully used to simulate the dynamics of noncolloidal suspensions of rigid fibers [O. G. Harlen, R. R. Sundararajakumar, and D. L. Koch, J. Fluid Mech. 388, 355 (1999); J. E. Butler and E. S. G. Shaqfeh, J. Fluid Mech. 468, 204 (2002)]. The longest relaxation time and center of mass diffusivity are among the quantities calculated with the simulation technique. Comparisons are made for different levels of approximation of the hydrodynamic interactions, including multibody interactions, two-body interactions, and the "freely draining" case with no interactions. For the short polymer chains studied in this paper, the results indicate a difference in the apparent scaling of diffusivity with polymer length for the multibody versus two-body level of approximation for the hydrodynamic interactions.

  17. Theory and simulation of ion noise in microwave tubes

    Science.gov (United States)

    Manheimer, W. M.; Freund, H. P.; Levush, B.; Antonsen, T. M.

    2001-01-01

    Since there is always some ambient gas in electron beam devices, background ionization is ubiquitous. For long pulse times, the electrostatic potentials associated with this ionization can reach significant levels and give rise to such observed phenomena as phase noise in microwave tubes. This noise is usually associated with the motion of ions in the device; therefore, it is called ion noise. It often manifests itself as a slow phase fluctuation on the output signal. Observations of noise in microwave tubes such as coupled-cavity traveling wave tubes (CC-TWTs) and klystrons have been discussed in the literature. In this paper, a hybrid model is discussed in which the electron beam is described by the beam envelope equation, and the ions generated by beam ionization are treated as discrete particles using the one-dimensional equations of motion. The theoretical model provides good qualitative as well as reasonable quantitative insight into the origin of ion noise phenomena. The numerical results indicate that the model reproduces the salient features of the phase oscillations observed experimentally. That is, the scaling of the frequency of the phase oscillations with gas pressure in the device and the sensitive dependence of the phase oscillations on the focusing magnetic field. Two distinct time scales are observed in simulation. The fastest time scale oscillation is related to the bounce motion of ions in the axial potential wells formed by the scalloping of the electron beam. Slower sawtooth oscillations are observed to correlate with the well-to-well interactions induced by the ion coupling to the electron equilibrium. These oscillations are also correlated with ion dumping to the cathode or collector. As a practical matter, simulations indicate that the low frequency oscillations can be reduced significantly by using a well-matched electron beam propagating from the electron gun into the interaction circuit.

  18. Theory and simulation of ion noise in microwave tubes

    International Nuclear Information System (INIS)

    Manheimer, W.M.; Freund, H.P.; Levush, B.; Antonsen, T.M. Jr.

    2001-01-01

    Since there is always some ambient gas in electron beam devices, background ionization is ubiquitous. For long pulse times, the electrostatic potentials associated with this ionization can reach significant levels and give rise to such observed phenomena as phase noise in microwave tubes. This noise is usually associated with the motion of ions in the device; therefore, it is called ion noise. It often manifests itself as a slow phase fluctuation on the output signal. Observations of noise in microwave tubes such as coupled-cavity traveling wave tubes (CC-TWTs) and klystrons have been discussed in the literature. In this paper, a hybrid model is discussed in which the electron beam is described by the beam envelope equation, and the ions generated by beam ionization are treated as discrete particles using the one-dimensional equations of motion. The theoretical model provides good qualitative as well as reasonable quantitative insight into the origin of ion noise phenomena. The numerical results indicate that the model reproduces the salient features of the phase oscillations observed experimentally. That is, the scaling of the frequency of the phase oscillations with gas pressure in the device and the sensitive dependence of the phase oscillations on the focusing magnetic field. Two distinct time scales are observed in simulation. The fastest time scale oscillation is related to the bounce motion of ions in the axial potential wells formed by the scalloping of the electron beam. Slower sawtooth oscillations are observed to correlate with the well-to-well interactions induced by the ion coupling to the electron equilibrium. These oscillations are also correlated with ion dumping to the cathode or collector. As a practical matter, simulations indicate that the low frequency oscillations can be reduced significantly by using a well-matched electron beam propagating from the electron gun into the interaction circuit

  19. Theory, simulations and the design of functionalized nanoparticles for biomedical applications: A Soft Matter Perspective

    Science.gov (United States)

    Angioletti-Uberti, Stefano

    2017-11-01

    Functionalised nanoparticles for biomedical applications represents an incredibly exciting and rapidly growing field of research. Considering the complexity of the nano-bio interface, an important question is to what extent can theory and simulations be used to study these systems in a realistic, meaningful way. In this review, we will argue for a positive answer to this question. Approaching the issue from a "Soft Matter" perspective, we will consider those properties of functionalised nanoparticles that can be captured within a classical description. We will thus not concentrate on optical and electronic properties, but rather on the way nanoparticles' interactions with the biological environment can be tuned by functionalising their surface and exploited in different contexts relevant to applications. In particular, we wish to provide a critical overview of theoretical and computational coarse-grained models, developed to describe these interactions and present to the readers some of the latest results in this fascinating area of research.

  20. Atom probe tomography simulations and density functional theory calculations of bonding energies in Cu3Au

    KAUST Repository

    Boll, Torben; Zhu, Zhiyong; Al-Kassab, Talaat; Schwingenschlö gl, Udo

    2012-01-01

    In this article the Cu-Au binding energy in Cu3Au is determined by comparing experimental atom probe tomography (APT) results to simulations. The resulting bonding energy is supported by density functional theory calculations. The APT simulations

  1. Optimization Model for Web Based Multimodal Interactive Simulations.

    Science.gov (United States)

    Halic, Tansel; Ahn, Woojin; De, Suvranu

    2015-07-15

    This paper presents a technique for optimizing the performance of web based multimodal interactive simulations. For such applications where visual quality and the performance of simulations directly influence user experience, overloading of hardware resources may result in unsatisfactory reduction in the quality of the simulation and user satisfaction. However, optimization of simulation performance on individual hardware platforms is not practical. Hence, we present a mixed integer programming model to optimize the performance of graphical rendering and simulation performance while satisfying application specific constraints. Our approach includes three distinct phases: identification, optimization and update . In the identification phase, the computing and rendering capabilities of the client device are evaluated using an exploratory proxy code. This data is utilized in conjunction with user specified design requirements in the optimization phase to ensure best possible computational resource allocation. The optimum solution is used for rendering (e.g. texture size, canvas resolution) and simulation parameters (e.g. simulation domain) in the update phase. Test results are presented on multiple hardware platforms with diverse computing and graphics capabilities to demonstrate the effectiveness of our approach.

  2. SLiM 2: Flexible, Interactive Forward Genetic Simulations.

    Science.gov (United States)

    Haller, Benjamin C; Messer, Philipp W

    2017-01-01

    Modern population genomic datasets hold immense promise for revealing the evolutionary processes operating in natural populations, but a crucial prerequisite for this goal is the ability to model realistic evolutionary scenarios and predict their expected patterns in genomic data. To that end, we present SLiM 2: an evolutionary simulation framework that combines a powerful, fast engine for forward population genetic simulations with the capability of modeling a wide variety of complex evolutionary scenarios. SLiM achieves this flexibility through scriptability, which provides control over most aspects of the simulated evolutionary scenarios with a simple R-like scripting language called Eidos. An example SLiM simulation is presented to illustrate the power of this approach. SLiM 2 also includes a graphical user interface for simulation construction, interactive runtime control, and dynamic visualization of simulation output, facilitating easy and fast model development with quick prototyping and visual debugging. We conclude with a performance comparison between SLiM and two other popular forward genetic simulation packages. © The Author 2016. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  3. Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles

    Science.gov (United States)

    Katsoulakis, Markos A.; Vlachos, Dionisios G.

    2003-11-01

    We derive a hierarchy of successively coarse-grained stochastic processes and associated coarse-grained Monte Carlo (CGMC) algorithms directly from the microscopic processes as approximations in larger length scales for the case of diffusion of interacting particles on a lattice. This hierarchy of models spans length scales between microscopic and mesoscopic, satisfies a detailed balance, and gives self-consistent fluctuation mechanisms whose noise is asymptotically identical to the microscopic MC. Rigorous, detailed asymptotics justify and clarify these connections. Gradient continuous time microscopic MC and CGMC simulations are compared under far from equilibrium conditions to illustrate the validity of our theory and delineate the errors obtained by rigorous asymptotics. Information theory estimates are employed for the first time to provide rigorous error estimates between the solutions of microscopic MC and CGMC, describing the loss of information during the coarse-graining process. Simulations under periodic boundary conditions are used to verify the information theory error estimates. It is shown that coarse-graining in space leads also to coarse-graining in time by q2, where q is the level of coarse-graining, and overcomes in part the hydrodynamic slowdown. Operation counting and CGMC simulations demonstrate significant CPU savings in continuous time MC simulations that vary from q3 for short potentials to q4 for long potentials. Finally, connections of the new coarse-grained stochastic processes to stochastic mesoscopic and Cahn-Hilliard-Cook models are made.

  4. Uncertainty quantification in ion–solid interaction simulations

    Energy Technology Data Exchange (ETDEWEB)

    Preuss, R., E-mail: preuss@ipp.mpg.de; Toussaint, U. von

    2017-02-15

    Within the framework of Bayesian uncertainty quantification we propose a non-intrusive reduced-order spectral approach (polynomial chaos expansion) to the simulation of ion–solid interactions. The method not only reduces the number of function evaluations but provides simultaneously a quantitative measure for which combinations of inputs have the most important impact on the result. It is applied to SDTRIM-simulations (Möller et al., 1988) with several uncertain and Gaussian distributed input parameters (i.e. angle, projectile energy, surface binding energy, target composition) and the results are compared to full-grid based approaches and sampling based methods with respect to reliability, efficiency and scalability.

  5. PIC Simulation of Laser Plasma Interactions with Temporal Bandwidths

    Science.gov (United States)

    Tsung, Frank; Weaver, J.; Lehmberg, R.

    2015-11-01

    We are performing particle-in-cell simulations using the code OSIRIS to study the effects of laser plasma interactions in the presence of temperal bandwidths under conditions relevant to current and future shock ignition experiments on the NIKE laser. Our simulations show that, for sufficiently large bandwidth, the saturation level, and the distribution of hot electrons, can be effected by the addition of temporal bandwidths (which can be accomplished in experiments using smoothing techniques such as SSD or ISI). We will show that temporal bandwidth along play an important role in the control of LPI's in these lasers and discuss future directions. This work is conducted under the auspices of NRL.

  6. Testing advanced driver assistance systems with the interactive driving simulator; Erprobung von Fahrerassistenzsystemen mit dem Interactive Driving Simulator

    Energy Technology Data Exchange (ETDEWEB)

    Friedrichs, A.; Grosse-Kappenberg, S.; Happe, J. [Zentrum fuer Lern- und Wissensmanagement und Lehrstuhl Informatik im Maschinenbau ZLW/IMA der RWTH Aachen (Germany)

    2005-07-01

    The Centre for Learning and Knowledge Management and Department of Computer Science in Engineering of the Technical University Aachen has developed a truck driving simulator which combines a driving simulation as well as traffic flow calculations to the interactive Driving Simulator (InDriveS). In real-time the effects of the driver's behaviour on the surrounding traffic are considered and vice versa. The integrative part of InDriveS is a software-in-the-loop and hardware-in-the-loop development environment. By means of this tool, all phases of development (Analysis, Design, Modelling, Simulation, Implementation as well as Testing and Evaluation) of new vehicle technologies, e.g. Information and Assistance Systems, can be realised in consideration of the road traffic and the driver's behaviour. (orig.)

  7. The Penrose transform its interaction with representation theory

    CERN Document Server

    Baston, Robert J

    1989-01-01

    This advanced text explores the Penrose transform, a major component of classical twistor theory. Geared toward students of physics and mathematics, the treatment presupposes no familiarity with twistor theory and a minimum of representation theory. "Brings to the reader a huge amount of information, well organized and condensed into less than 200 pages." — Mathematical Reviews.

  8. Theory and simulation of ultra-short pulse laser interactions

    Energy Technology Data Exchange (ETDEWEB)

    More, R; Walling, R; Price, D; Guethlein, G; Stewart, R; Libby, S; Graziani, F; Levatin, J [Lawrence Livermore National Lab., Livermore, CA (United States)

    1998-03-01

    This paper describes recent Livermore work aimed at building computational tools to describe ultra-short pulse laser plasmas. We discuss calculations of laser absorption, atomic data for high-charge ions, and a new idea for linear-response treatment of non-equilibrium phenomena near LTE. (author)

  9. On the consistency of scale among experiments, theory, and simulation

    Science.gov (United States)

    McClure, James E.; Dye, Amanda L.; Miller, Cass T.; Gray, William G.

    2017-02-01

    As a tool for addressing problems of scale, we consider an evolving approach known as the thermodynamically constrained averaging theory (TCAT), which has broad applicability to hydrology. We consider the case of modeling of two-fluid-phase flow in porous media, and we focus on issues of scale as they relate to various measures of pressure, capillary pressure, and state equations needed to produce solvable models. We apply TCAT to perform physics-based data assimilation to understand how the internal behavior influences the macroscale state of two-fluid porous medium systems. A microfluidic experimental method and a lattice Boltzmann simulation method are used to examine a key deficiency associated with standard approaches. In a hydrologic process such as evaporation, the water content will ultimately be reduced below the irreducible wetting-phase saturation determined from experiments. This is problematic since the derived closure relationships cannot predict the associated capillary pressures for these states. We demonstrate that the irreducible wetting-phase saturation is an artifact of the experimental design, caused by the fact that the boundary pressure difference does not approximate the true capillary pressure. Using averaging methods, we compute the true capillary pressure for fluid configurations at and below the irreducible wetting-phase saturation. Results of our analysis include a state function for the capillary pressure expressed as a function of fluid saturation and interfacial area.

  10. DSMC simulations of shock interactions about sharp double cones

    Science.gov (United States)

    Moss, James N.

    2001-08-01

    This paper presents the results of a numerical study of shock interactions resulting from Mach 10 flow about sharp double cones. Computations are made by using the direct simulation Monte Carlo (DSMC) method of Bird. The sensitivity and characteristics of the interactions are examined by varying flow conditions, model size, and configuration. The range of conditions investigated includes those for which experiments have been or will be performed in the ONERA R5Ch low-density wind tunnel and the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel.

  11. Developing Models for Embodied Learning with Live Interactive Simulations

    DEFF Research Database (Denmark)

    Gjedde, Lisa

    2014-01-01

    Live simulations may offer a natural form of multimodal learning through embodied action, which can be engaging to a variety of learners and provide a platform for inclusion of special needs learners across the classroom. In this approach to interactive learning, the subject matter is embedded...... learning design is available that provides for interactive and embodied learning, which appeals to the segment of boys that are often difficult to motivate with ordinary uni-modal teaching methods. The paper will present preliminary results from an action research project carried out in collaboration...

  12. Phantom-based interactive simulation system for dental treatment training.

    Science.gov (United States)

    Sae-Kee, Bundit; Riener, Robert; Frey, Martin; Pröll, Thomas; Burgkart, Rainer

    2004-01-01

    In this paper, we propose a new interactive simulation system for dental treatment training. The system comprises a virtual reality environment and a force-torque measuring device to enhance the capabilities of a passive phantom of tooth anatomy in dental treatment training processes. The measuring device is connected to the phantom, and provides essential input data for generating the graphic animations of physical behaviors such as drilling and bleeding. The animation methods of those physical behaviors are also presented. This system is not only able to enhance interactivity and accessibility of the training system compared to conventional methods but it also provides possibilities of recording, evaluating, and verifying the training results.

  13. Comments on the interaction between theory and experiment in high energy physics

    International Nuclear Information System (INIS)

    Derrick, M.

    1990-01-01

    This paper discusses work being conducted in High Energy Physics and Nuclear Physics where theory and experiment go hand in hand. Pion capture, proton-antiproton interactions, kaon-pion interactions and hypernuclei decay are discussed as examples

  14. Simulation of Fuzzy Adaptive PI Controlled Grid Interactive Inverter

    Directory of Open Access Journals (Sweden)

    Necmi ALTIN

    2009-03-01

    Full Text Available In this study, a voltage source grid interactive inverter is modeled and simulated in MATLAB/Simulink. Inverter is designed as current controlled and a fuzzy-PI current controller used for the generation of switching pattern to shape the inverter output current. The grid interactive inverter consists of a line frequency transformer and a LC type filter. Galvanic isolation between the grid and renewable energy source is obtained by the line frequency transformer and LC filter is employed to filter the high frequency harmonic components in current waveform due to PWM switching and to reduce the output current THD. Results of the MATLAB/Simulink simulation show that inverter output current is in sinusoidal waveform and in phase with line voltage, and current harmonics are in the limits of international standards (

  15. Simulation of hypersonic shock wave - laminar boundary layer interactions

    Science.gov (United States)

    Kianvashrad, N.; Knight, D.

    2017-06-01

    The capability of the Navier-Stokes equations with a perfect gas model for simulation of hypersonic shock wave - laminar boundary layer interactions is assessed. The configuration is a hollow cylinder flare. The experimental data were obtained by Calspan-University of Buffalo (CUBRC) for total enthalpies ranging from 5.07 to 21.85 MJ/kg. Comparison of the computed and experimental surface pressure and heat transfer is performed and the computed §ow¦eld structure is analyzed.

  16. Interactive exploration of tokamak turbulence simulations in virtual reality

    International Nuclear Information System (INIS)

    Kerbel, G.D.; Pierce, T.; Milovich, J.L.; Shumaker, D.E.

    1996-01-01

    We have developed an immersive visualization system designed for interactive data exploration as an integral part of our computing environment for studying tokamak turbulence. This system of codes can reproduce the results of simulations visually for scrutiny in real time, interactively and with more realism than ever before. At peak performance, the VR system can present for view some 400 coordinated images per second. The long term vision this approach targets is a open-quote holodeck-like close-quote virtual-reality environment in which one can explore gyrofluid or gyrokinetic plasma simulations interactively and in real time, visually, with concurrent simulations of experimental diagnostic devices. In principle, such a open-quote virtual tokamak close-quote computed environment could be as all encompassing or as focussed as one likes, in terms of the physics involved. The computing framework in one within which a group of researchers can work together to produce a real and identifiable product with easy access to all contributions. This could be our version of NASA's next generation Numerical Wind Tunnel. The principal purpose of this VR capability for Numerical Tokamak simulation is to provide interactive visual experience to help create new ways of understanding aspects of the convective transport processes operating in tokamak fusion experiments. The effectiveness of the visualization method is strongly dependent on the density of frame-to-frame correlation. Below a threshold of this quantity, short term visual memory does not bridge the gap between frames well enough for there to exist a strong visual connection. Above the threshold, evolving structures appear clearly. The visualizations show the 3D structure of vortex evolution and the gyrofluid motion associated with it. We discovered that it was very helpful for visualizing the cross field flows to compress the virtual world in the toroidal angle

  17. Neurosurgical simulation by interactive computer graphics on iPad.

    Science.gov (United States)

    Maruyama, Keisuke; Kin, Taichi; Saito, Toki; Suematsu, Shinya; Gomyo, Miho; Noguchi, Akio; Nagane, Motoo; Shiokawa, Yoshiaki

    2014-11-01

    Presurgical simulation before complicated neurosurgery is a state-of-the-art technique, and its usefulness has recently become well known. However, simulation requires complex image processing, which hinders its widespread application. We explored handling the results of interactive computer graphics on the iPad tablet, which can easily be controlled anywhere. Data from preneurosurgical simulations from 12 patients (4 men, 8 women) who underwent complex brain surgery were loaded onto an iPad. First, DICOM data were loaded using Amira visualization software to create interactive computer graphics, and ParaView, another free visualization software package, was used to convert the results of the simulation to be loaded using the free iPad software KiwiViewer. The interactive computer graphics created prior to neurosurgery were successfully displayed and smoothly controlled on the iPad in all patients. The number of elements ranged from 3 to 13 (mean 7). The mean original data size was 233 MB, which was reduced to 10.4 MB (4.4% of original size) after image processing by ParaView. This was increased to 46.6 MB (19.9%) after decompression in KiwiViewer. Controlling the magnification, transfer, rotation, and selection of translucence in 10 levels of each element were smoothly and easily performed using one or two fingers. The requisite skill to smoothly control the iPad software was acquired within 1.8 trials on average in 12 medical students and 6 neurosurgical residents. Using an iPad to handle the result of preneurosurgical simulation was extremely useful because it could easily be handled anywhere.

  18. Regulating social interactions: Developing a functional theory of collaboration

    Science.gov (United States)

    Borge, Marcela

    A role-playing intervention was developed and implemented in a fifth grade classroom. The goal of the intervention was to address serious problems that researchers have connected to dysfunctional collaborative interactions. These problems include an inability to: engage in important aspects of argumentation and communication, monitor and regulate group processes, and ensure equity in participation. To this end, a comprehensive theory of collaboration was presented to students through the use of four sociocognitive roles: mediation manager, collaboration manager, communication manager, and productivity manager. Each role came with a written guide that included specific goals and strategies related to the role. Metacognitive activities, including planning and reflection, were also used during class sessions to support students' understanding and role-use. Each of the students in the class was assigned one of the roles to manage during a two part collaborative science project. Students took quizzes on the roles and provided verbal and written feedback about their role-use and metacognitive activities. Students from one of the video-recorded groups were also interviewed after the intervention. Analyses of data from video sessions, quizzes, and interviews supported three important findings: (1) students were able to learn goals, and strategies for all of the roles, even though they only managed a single role, (2) students demonstrated the ability to take the information they learned and put it into practice, and (3) when students employed the roles while their group was working, members of the group accepted the role-use. These findings related to the learning and utilization of the roles are important because they: (1) imply that the intervention was successful at developing students' knowledge of the theory of collaboration that the roles represented, (2) indicate that students used this knowledge to monitor and regulate behaviors in an authentic context, and (3

  19. Atomic-scale simulation of dust grain collisions: Surface chemistry and dissipation beyond existing theory

    Science.gov (United States)

    Quadery, Abrar H.; Doan, Baochi D.; Tucker, William C.; Dove, Adrienne R.; Schelling, Patrick K.

    2017-10-01

    The early stages of planet formation involve steps where submicron-sized dust particles collide to form aggregates. However, the mechanism through which millimeter-sized particles aggregate to kilometer-sized planetesimals is still not understood. Dust grain collision experiments carried out in the environment of the Earth lead to the prediction of a 'bouncing barrier' at millimeter-sizes. Theoretical models, e.g., Johnson-Kendall-Roberts and Derjaguin-Muller-Toporov theories, lack two key features, namely the chemistry of dust grain surfaces, and a mechanism for atomic-scale dissipation of energy. Moreover, interaction strengths in these models are parameterized based on experiments done in the Earth's environment. To address these issues, we performed atomic-scale simulations of collisions between nonhydroxylated and hydroxylated amorphous silica nanoparticles. We used the ReaxFF approach which enables modeling chemical reactions using an empirical potential. We found that nonhydroxylated nanograins tend to adhere with much higher probability than suggested by existing theories. By contrast, hydroxylated nanograins exhibit a strong tendency to bounce. Also, the interaction between dust grains has the characteristics of a strong chemical force instead of weak van der Waals forces. This suggests that the formation of strong chemical bonds and dissipation via internal atomic vibration may result in aggregation beyond what is expected based on our current understanding. Our results also indicate that experiments should more carefully consider surface conditions to mimic the space environment. We also report results of simulations with molten silica nanoparticles. It is found that molten particles are more likely to adhere due to viscous dissipation, which supports theories that suggest aggregation to kilometer scales might require grains to be in a molten state.

  20. Interactive simulations as teaching tools for engineering mechanics courses

    Science.gov (United States)

    Carbonell, Victoria; Romero, Carlos; Martínez, Elvira; Flórez, Mercedes

    2013-07-01

    This study aimed to gauge the effect of interactive simulations in class as an active teaching strategy for a mechanics course. Engineering analysis and design often use the properties of planar sections in calculations. In the stress analysis of a beam under bending and torsional loads, cross-sectional properties are used to determine stress and displacement distributions in the beam cross section. The centroid, moments and products of inertia of an area made up of several common shapes (rectangles usually) may thus be obtained by adding the moments of inertia of the component areas (U-shape, L-shape, C-shape, etc). This procedure is used to calculate the second moments of structural shapes in engineering practice because the determination of their moments of inertia is necessary for the design of structural components. This paper presents examples of interactive simulations developed for teaching the ‘Mechanics and mechanisms’ course at the Universidad Politecnica de Madrid, Spain. The simulations focus on fundamental topics such as centroids, the properties of the moment of inertia, second moments of inertia with respect to two axes, principal moments of inertia and Mohr's Circle for plane stress, and were composed using Geogebra software. These learning tools feature animations, graphics and interactivity and were designed to encourage student participation and engagement in active learning activities, to effectively explain and illustrate course topics, and to build student problem-solving skills.

  1. Stochastic simulation of ecohydrological interactions between vegetation and groundwater

    Science.gov (United States)

    Dwelle, M. C.; Ivanov, V. Y.; Sargsyan, K.

    2017-12-01

    The complex interactions between groundwater and vegetation in the Amazon rainforest may yield vital ecophysiological interactions in specific landscape niches such as buffering plant water stress during dry season or suppression of water uptake due to anoxic conditions. Representation of such processes is greatly impacted by both external and internal sources of uncertainty: inaccurate data and subjective choice of model representation. The models that can simulate these processes are complex and computationally expensive, and therefore make it difficult to address uncertainty using traditional methods. We use the ecohydrologic model tRIBS+VEGGIE and a novel uncertainty quantification framework applied to the ZF2 watershed near Manaus, Brazil. We showcase the capability of this framework for stochastic simulation of vegetation-hydrology dynamics. This framework is useful for simulation with internal and external stochasticity, but this work will focus on internal variability of groundwater depth distribution and model parameterizations. We demonstrate the capability of this framework to make inferences on uncertain states of groundwater depth from limited in situ data, and how the realizations of these inferences affect the ecohydrological interactions between groundwater dynamics and vegetation function. We place an emphasis on the probabilistic representation of quantities of interest and how this impacts the understanding and interpretation of the dynamics at the groundwater-vegetation interface.

  2. Interactive simulations as teaching tools for engineering mechanics courses

    International Nuclear Information System (INIS)

    Carbonell, Victoria; Martínez, Elvira; Flórez, Mercedes; Romero, Carlos

    2013-01-01

    This study aimed to gauge the effect of interactive simulations in class as an active teaching strategy for a mechanics course. Engineering analysis and design often use the properties of planar sections in calculations. In the stress analysis of a beam under bending and torsional loads, cross-sectional properties are used to determine stress and displacement distributions in the beam cross section. The centroid, moments and products of inertia of an area made up of several common shapes (rectangles usually) may thus be obtained by adding the moments of inertia of the component areas (U-shape, L-shape, C-shape, etc). This procedure is used to calculate the second moments of structural shapes in engineering practice because the determination of their moments of inertia is necessary for the design of structural components. This paper presents examples of interactive simulations developed for teaching the ‘Mechanics and mechanisms’ course at the Universidad Politecnica de Madrid, Spain. The simulations focus on fundamental topics such as centroids, the properties of the moment of inertia, second moments of inertia with respect to two axes, principal moments of inertia and Mohr's Circle for plane stress, and were composed using Geogebra software. These learning tools feature animations, graphics and interactivity and were designed to encourage student participation and engagement in active learning activities, to effectively explain and illustrate course topics, and to build student problem-solving skills. (paper)

  3. A treecode to simulate dust-plasma interactions

    Science.gov (United States)

    Thomas, D. M.; Holgate, J. T.

    2017-02-01

    The interaction of a small object with surrounding plasma is an area of plasma-physics research with a multitude of applications. This paper introduces the plasma octree code pot, a microscopic simulator of a spheroidal dust grain in a plasma. pot uses the Barnes-Hut treecode algorithm to perform N-body simulations of electrons and ions in the vicinity of a chargeable spheroid, employing also the Boris particle-motion integrator and Hutchinson’s reinjection algorithm from SCEPTIC; a description of the implementation of all three algorithms is provided. We present results from pot simulations of the charging of spheres in magnetised plasmas, and of spheroids in unmagnetized plasmas. The results call into question the validity of using the Boltzmann relation in hybrid PIC codes. Substantial portions of this paper are adapted from chapters 4 and 5 of the first author’s recent PhD dissertation.

  4. Simulation of intense short-pulse laser-plasma interaction

    International Nuclear Information System (INIS)

    Yamagiwa, Mitsuru

    2000-01-01

    We have completed the massive parallelization of a 2-dimensional giga-particle code and have achieved a 530-fold acceleration rate with 512 processing elements (PE's). Using this we have implemented a simulation of the interaction of a solid thin film and a high intensity laser and have discovered a phenomenon in which high quality short pulses from the far ultraviolet to soft X-rays are generated at the back surface of the thin layer. We have also introduced the atomic process database code (Hullac) and have the possibility for high precision simulations of X-ray laser radiation. With respect to laser acceleration we have the possibility to quantitatively evaluate relativistic self-focusing assumed to occur in higher intensity fields. Ion acceleration from a solid target and an underdense plasma irradiated by an intense and an ultra intense laser, respectively, has also been studied by particle-in-cell (PIC) simulations. (author)

  5. From Theory to Practice: A Crisis Simulation Exercise

    Science.gov (United States)

    Aertsen, Tamara; Jaspaert, Koen; Van Gorp, Baldwin

    2013-01-01

    In this article, an educational project is described that was formulated with the aim to give master's students in business communication the opportunity to experience how theory could be applied to shape practice. A 4-week project was developed in which students were urged to use communication theory and linguistic theory to manage the…

  6. A biased competition theory of cytotoxic T lymphocyte interaction with tumor nodules.

    Directory of Open Access Journals (Sweden)

    Claire Christophe

    Full Text Available The dynamics of the interaction between Cytotoxic T Lymphocytes (CTL and tumor cells has been addressed in depth, in particular using numerical simulations. However, stochastic mathematical models that take into account the competitive interaction between CTL and tumors undergoing immunoediting, a process of tumor cell escape from immunesurveillance, are presently missing. Here, we introduce a stochastic dynamical particle interaction model based on experimentally measured parameters that allows to describe CTL function during immunoediting. The model describes the competitive interaction between CTL and melanoma cell nodules and allows temporal and two-dimensional spatial progression. The model is designed to provide probabilistic estimates of tumor eradication through numerical simulations in which tunable parameters influencing CTL efficacy against a tumor nodule undergoing immunoediting are tested. Our model shows that the rate of CTL/tumor nodule productive collisions during the initial time of interaction determines the success of CTL in tumor eradication. It allows efficient cytotoxic function before the tumor cells acquire a substantial resistance to CTL attack, due to mutations stochastically occurring during cell division. Interestingly, a bias in CTL motility inducing a progressive attraction towards a few scout CTL, which have detected the nodule enhances early productive collisions and tumor eradication. Taken together, our results are compatible with a biased competition theory of CTL function in which CTL efficacy against a tumor nodule undergoing immunoediting is strongly dependent on guidance of CTL trajectories by scout siblings. They highlight unprecedented aspects of immune cell behavior that might inspire new CTL-based therapeutic strategies against tumors.

  7. Two dimensional simulation of high power laser-surface interaction

    International Nuclear Information System (INIS)

    Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P.; Busch, G.E.

    1998-01-01

    For laser intensities in the range of 10 8 --10 9 W/cm 2 , and pulse lengths of order 10 microsec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing

  8. Learning theories and tools for the assessment of core nursing competencies in simulation: A theoretical review.

    Science.gov (United States)

    Lavoie, Patrick; Michaud, Cécile; Bélisle, Marilou; Boyer, Louise; Gosselin, Émilie; Grondin, Myrian; Larue, Caroline; Lavoie, Stéphan; Pepin, Jacinthe

    2018-02-01

    To identify the theories used to explain learning in simulation and to examine how these theories guided the assessment of learning outcomes related to core competencies in undergraduate nursing students. Nurse educators face the challenge of making explicit the outcomes of competency-based education, especially when competencies are conceptualized as holistic and context dependent. Theoretical review. Research papers (N = 182) published between 1999-2015 describing simulation in nursing education. Two members of the research team extracted data from the papers, including theories used to explain how simulation could engender learning and tools used to assess simulation outcomes. Contingency tables were created to examine the associations between theories, outcomes and tools. Some papers (N = 79) did not provide an explicit theory. The 103 remaining papers identified one or more learning or teaching theories; the most frequent were the National League for Nursing/Jeffries Simulation Framework, Kolb's theory of experiential learning and Bandura's social cognitive theory and concept of self-efficacy. Students' perceptions of simulation, knowledge and self-confidence were the most frequently assessed, mainly via scales designed for the study where they were used. Core competencies were mostly assessed with an observational approach. This review highlighted the fact that few studies examined the use of simulation in nursing education through learning theories and via assessment of core competencies. It also identified observational tools used to assess competencies in action, as holistic and context-dependent constructs. © 2017 John Wiley & Sons Ltd.

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

    Directory of Open Access Journals (Sweden)

    Antje Kohnle

    2017-11-01

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

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

    Science.gov (United States)

    Kohnle, Antje; Passante, Gina

    2017-12-01

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

  11. Theory of muscle contraction mechanism with cooperative interaction among crossbridges.

    Science.gov (United States)

    Mitsui, Toshio; Ohshima, Hiroyuki

    2012-01-01

    The power stroke model was criticized and a model was proposed for muscle contraction mechanism (Mitsui, 1999). The proposed model was further developed and calculations based on the model well reproduced major experimental data on the steady filament sliding (Mitsui and Ohshima, 2008) and on the transient phenomena (Mitsui, Takai and Ohshima, 2011). In this review more weight is put on explanation of the basic ideas of the model, especially logical necessity of the model, leaving mathematical details to the above-mentioned papers. A thermodynamic relationship that any models based upon the sliding filament theory should fulfill is derived. The model which fulfills the thermodynamic relationship is constructed on the assumption that a myosin head bound to an actin filament forms a complex with three actin molecules. In shortening muscles, the complex moves along the actin filament changing the partner actin molecules with steps of about 5.5 nm. This process is made possible through cooperative interaction among cross-bridges. The ATP hydrolysis energy is liberated by fraction at each step through chemical reactions between myosin and actin molecules. The cooperativity among crossbridges disappears in length-clamped muscles, in agreement with experimental observations that the cross-bridge produces force independently in the isometric tetanus state. The distance of the head movement per ATP hydrolysis cycle is expected to be about 5.5 nm or a few times of it under the condition of the in vitro single head experiments. Calculation results are surveyed illustrating that they are in good agreement with major experimental observations.

  12. Quantum Simulation with Circuit-QED Lattices: from Elementary Building Blocks to Many-Body Theory

    Science.gov (United States)

    Zhu, Guanyu

    Recent experimental and theoretical progress in superconducting circuits and circuit QED (quantum electrodynamics) has helped to develop high-precision techniques to control, manipulate, and detect individual mesoscopic quantum systems. A promising direction is hence to scale up from individual building blocks to form larger-scale quantum many-body systems. Although realizing a scalable fault-tolerant quantum computer still faces major barriers of decoherence and quantum error correction, it is feasible to realize scalable quantum simulators with state-of-the-art technology. From the technological point of view, this could serve as an intermediate stage towards the final goal of a large-scale quantum computer, and could help accumulating experience with the control of quantum systems with a large number of degrees of freedom. From the physical point of view, this opens up a new regime where condensed matter systems can be simulated and studied, here in the context of strongly correlated photons and two-level systems. In this thesis, we mainly focus on two aspects of circuit-QED based quantum simulation. First, we discuss the elementary building blocks of the quantum simulator, in particular a fluxonium circuit coupled to a superconducting resonator. We show the interesting properties of the fluxonium circuit as a qubit, including the unusual structure of its charge matrix elements. We also employ perturbation theory to derive the effective Hamiltonian of the coupled system in the dispersive regime, where qubit and the photon frequencies are detuned. The observables predicted with our theory, including dispersive shifts and Kerr nonlinearity, are compared with data from experiments, such as homodyne transmission and two-tone spectroscopy. These studies also relate to the problem of detection in a circuit-QED quantum simulator. Second, we study many-body physics of circuit-QED lattices, serving as quantum simulators. In particular, we focus on two different

  13. Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size

    Science.gov (United States)

    Gerstner, Wulfram

    2017-01-01

    Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50–2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations. PMID:28422957

  14. Random Process Theory Approach to Geometric Heterogeneous Surfaces: Effective Fluid-Solid Interaction

    Science.gov (United States)

    Khlyupin, Aleksey; Aslyamov, Timur

    2017-06-01

    Realistic fluid-solid interaction potentials are essential in description of confined fluids especially in the case of geometric heterogeneous surfaces. Correlated random field is considered as a model of random surface with high geometric roughness. We provide the general theory of effective coarse-grained fluid-solid potential by proper averaging of the free energy of fluid molecules which interact with the solid media. This procedure is largely based on the theory of random processes. We apply first passage time probability problem and assume the local Markov properties of random surfaces. General expression of effective fluid-solid potential is obtained. In the case of small surface irregularities analytical approximation for effective potential is proposed. Both amorphous materials with large surface roughness and crystalline solids with several types of fcc lattices are considered. It is shown that the wider the lattice spacing in terms of molecular diameter of the fluid, the more obtained potentials differ from classical ones. A comparison with published Monte-Carlo simulations was discussed. The work provides a promising approach to explore how the random geometric heterogeneity affects on thermodynamic properties of the fluids.

  15. Towards a theory of cortical columns: From spiking neurons to interacting neural populations of finite size.

    Science.gov (United States)

    Schwalger, Tilo; Deger, Moritz; Gerstner, Wulfram

    2017-04-01

    Neural population equations such as neural mass or field models are widely used to study brain activity on a large scale. However, the relation of these models to the properties of single neurons is unclear. Here we derive an equation for several interacting populations at the mesoscopic scale starting from a microscopic model of randomly connected generalized integrate-and-fire neuron models. Each population consists of 50-2000 neurons of the same type but different populations account for different neuron types. The stochastic population equations that we find reveal how spike-history effects in single-neuron dynamics such as refractoriness and adaptation interact with finite-size fluctuations on the population level. Efficient integration of the stochastic mesoscopic equations reproduces the statistical behavior of the population activities obtained from microscopic simulations of a full spiking neural network model. The theory describes nonlinear emergent dynamics such as finite-size-induced stochastic transitions in multistable networks and synchronization in balanced networks of excitatory and inhibitory neurons. The mesoscopic equations are employed to rapidly integrate a model of a cortical microcircuit consisting of eight neuron types, which allows us to predict spontaneous population activities as well as evoked responses to thalamic input. Our theory establishes a general framework for modeling finite-size neural population dynamics based on single cell and synapse parameters and offers an efficient approach to analyzing cortical circuits and computations.

  16. Simulator: A Pilot Interactive Simulation Program for Use in Teaching Public Relations.

    Science.gov (United States)

    Pavlik, John V.

    An interactive simulation program was developed for use in teaching students how to handle public relations problems. The program user is placed in the role of assistant newsletter editor, facing a series of decision-making situations. Each choice the user makes affects the subsequent reality created by the program, which is designed to provide…

  17. Screening of Coulomb interaction and many-body perturbation theory in atoms

    International Nuclear Information System (INIS)

    Dzyuba, V.A.; Flambaum, V.V.; Sil'vestrov, P.G.; Sushkov, O.P.

    1988-01-01

    Taking into account the electron Coulomb interaction screening considerably improves the convergence of perturbation theory in residual interaction. The developed technique allows to take into account screening diagrams in all orders of perturbation theory. Calculation of the correlation corrections to the thallium energy levels is carried out as an example

  18. Thermodynamical analyses of molecular simulations of dislocation-defect interactions: simulations at 0 K

    International Nuclear Information System (INIS)

    Monnet, G.

    2008-01-01

    Full text of publication follows. Static molecular (SM) simulations of dislocation-defect interaction are analysed through a framework of different interaction regimes, in which the applied work has different roles. In most regimes, the applied work is transformed into elastic energy, a dissipative energy resulting from the lattice friction and a large quantity of energy needed to enable the dislocation to bow out when it is pinned by the defect. While the dissipative work is entirely evacuated in SM simulations, the elastic and curvature energies contribute to a large increase of the internal energy of the system. A method is presented in this work to evaluate the curvature energy and the result is compared to prediction of the line tension model. These analyses allow the determination of the dislocation-defect interaction energy. (author)

  19. Spatial interaction models facility location using game theory

    CERN Document Server

    D'Amato, Egidio; Pardalos, Panos

    2017-01-01

    Facility location theory develops the idea of locating one or more facilities by optimizing suitable criteria such as minimizing transportation cost, or capturing the largest market share. The contributions in this book focus an approach to facility location theory through game theoretical tools highlighting situations where a location decision is faced by several decision makers and leading to a game theoretical framework in non-cooperative and cooperative methods. Models and methods regarding the facility location via game theory are explored and applications are illustrated through economics, engineering, and physics. Mathematicians, engineers, economists and computer scientists working in theory, applications and computational aspects of facility location problems using game theory will find this book useful.

  20. Formulate, Formalize and Run! How Narrative Theories shape and are shaped by Interactive Digital Narrative

    OpenAIRE

    Szilas, Nicolas

    2016-01-01

    What are the links between narrative theories and computing? Narrative works are countless in the digital world: narrative hypertext and hypermedia, interactive fiction, video games, blogs, location-based narrative, etc. They not only form new analytical objects for narrative theories, but also may extend existing narrative theories. One specific type of digital narratives, AI-based Interactive Digital Narrative (IDN), plays a special role in this landscape because it makes use of narrative t...

  1. 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

  2. Theory and simulation of DNA-coated colloids: a guide for rational design.

    Science.gov (United States)

    Angioletti-Uberti, Stefano; Mognetti, Bortolo M; Frenkel, Daan

    2016-03-07

    By exploiting the exquisite selectivity of DNA hybridization, DNA-coated colloids (DNACCs) can be made to self-assemble in a wide variety of structures. The beauty of this system stems largely from its exceptional versatility and from the fact that a proper choice of the grafted DNA sequences yields fine control over the colloidal interactions. Theory and simulations have an important role to play in the optimal design of self assembling DNACCs. At present, the powerful model-based design tools are not widely used, because the theoretical literature is fragmented and the connection between different theories is often not evident. In this Perspective, we aim to discuss the similarities and differences between the different models that have been described in the literature, their underlying assumptions, their strengths and their weaknesses. Using the tools described in the present Review, it should be possible to move towards a more rational design of novel self-assembling structures of DNACCs and, more generally, of systems where ligand-receptor are used to control interactions.

  3. Chemical interaction of tetravalent actinides simulators and the engineering barrier

    International Nuclear Information System (INIS)

    Chain, Pablo; Alba, Maria D.; Castro, Miguel A.; Pavon, Esperanza; Mar Orta, M.

    2010-01-01

    Document available in extended abstract form only. The Deep Geological Repository (DGR) is the most internationally accepted option for the storage of high radioactive wastes. This confinement is based on the Multi-barrier Concept where the engineered barrier is a crucial safety wise. Nowadays, bentonite is accepted as the best argillaceous material in the engineered barrier of DGR. Additionally to its well-known physical role, a chemical interaction between lutetium, as actinide simulator, and the smectite has been demonstrated. The existence of a reaction mechanism, which was not previously described, based on the chemical interaction between the lanthanide cations and the orthosilicate anions of the lamellar structure has been identified. This finding has aroused the interest of the scientific community because lanthanides are used as simulators of high activity radionuclide (HAR) in agreement with the guidelines established in the bibliography. It has been observed that in conditions of moderate temperature and pressure a chemical interaction exists between smectites and rare earth elements (RE) and phases of insoluble di-silicate, RE 2 Si 2 O 7 , which would immobilize RE, are generated. It is remarkable that the reaction extends to all the set of the smectites, although they do not display the same reactivity, the saponite being the most reactive. The main isotopes present in the HLW belong to the actinide elements Np, Pu, Am and Cm, in addition to uranium generated by neutron capture during the fuel combustion process. The study of the mobilization of actinide (IV) thorough the bentonite barrier is limited because of their radioactivity. However, U(IV), Np(IV), Pu(IV) and Th(IV) can be simulated by the stable isotopes of the Zr(IV) and Hf(IV), because they exhibit ionic radius and physicochemical properties very similar to those of the actinide elements. It is the main objective of this research to investigate the chemical interaction of Zr(IV) as actinide

  4. Simulations of Shock Wave Interaction with a Particle Cloud

    Science.gov (United States)

    Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Annamalai, Subramanian; Balachandar, S.'Bala'

    2016-11-01

    Simulations of a shock wave interacting with a cloud of particles are performed in an attempt to understand similar phenomena observed in dispersal of solid particles under such extreme environment as an explosion. We conduct numerical experiments in which a particle curtain fills only 87% of the shock tube from bottom to top. As such, the particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In this study, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. In these simulations we use a Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. Measurements of particle dispersion are made at different initial volume fractions of the particle cloud. A detailed analysis of the evolution of the particle curtain with respect to the initial conditions is presented. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

  5. Shock loading predictions from application of indicial theory to shock-turbulence interactions

    Science.gov (United States)

    Keefe, Laurence R.; Nixon, David

    1991-01-01

    A sequence of steps that permits prediction of some of the characteristics of the pressure field beneath a fluctuating shock wave from knowledge of the oncoming turbulent boundary layer is presented. The theory first predicts the power spectrum and pdf of the position and velocity of the shock wave, which are then used to obtain the shock frequency distribution, and the pdf of the pressure field, as a function of position within the interaction region. To test the validity of the crucial assumption of linearity, the indicial response of a normal shock is calculated from numerical simulation. This indicial response, after being fit by a simple relaxation model, is used to predict the shock position and velocity spectra, along with the shock passage frequency distribution. The low frequency portion of the shock spectra, where most of the energy is concentrated, is satisfactorily predicted by this method.

  6. 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.

  7. Embedding a Virtual Patient Simulator in an Interactive Surgical lecture.

    Science.gov (United States)

    Kleinert, Robert; Plum, Patrick; Heiermann, Nadine; Wahba, Roger; Chang, De-Huan; Hölscher, Arnulf H; Stippel, Dirk L

    2016-01-01

    Lectures are traditionally used for teaching declarative knowledge. One established tool for clinical education is the demonstration of a real patient. The use of real patients in the daily clinical environment is increasingly difficult. The use of a virtual patient simulator (VPS) can potentially circumvent these problems. Unlimited availability and the opportunity of an electronic feedback system could possibly enrich traditional lectures by enabling more interactivity that meets the expectations of the current student generation. As students face the consequences of their own decisions they take a more active role in the lecture. VPS links declarative knowledge with visual perception that is known to influence students' motivation. Until now, there have been no reports covering the usage and validation of interactive VPS for supporting traditional lectures. In this study, we (1) described the development of a custom-made three-dimensional (3D) VPS for supporting the traditional lecture and (2) performed a feasibility study including an initial assessment of this novel educational concept. Conceptualization included definition of curricular content, technical realization and validation. A custom-made simulator was validated with 68 students. The degree of student acceptance was evaluated. Furthermore, the effect on knowledge gain was determined by testing prelecture and postlecture performance. A custom-made simulator prototype that displays a 3D virtual clinic environment was developed and linked to a PowerPoint presentation. Students were able to connect to the simulator via electronic devices (smartphones and tablets) and to control the simulator via majority vote. The simulator was used in 6 lectures and validated in 2 lectures with 68 students each. Student acceptance and their opinion about effectiveness and applicability were determined. Students showed a high level of motivation when using the simulator as most of them had fun using it. Effect on

  8. The effective χ parameter in polarizable polymeric systems: One-loop perturbation theory and field-theoretic simulations.

    Science.gov (United States)

    Grzetic, Douglas J; Delaney, Kris T; Fredrickson, Glenn H

    2018-05-28

    We derive the effective Flory-Huggins parameter in polarizable polymeric systems, within a recently introduced polarizable field theory framework. The incorporation of bead polarizabilities in the model self-consistently embeds dielectric response, as well as van der Waals interactions. The latter generate a χ parameter (denoted χ̃) between any two species with polarizability contrast. Using one-loop perturbation theory, we compute corrections to the structure factor Sk and the dielectric function ϵ^(k) for a polarizable binary homopolymer blend in the one-phase region of the phase diagram. The electrostatic corrections to S(k) can be entirely accounted for by a renormalization of the excluded volume parameter B into three van der Waals-corrected parameters B AA , B AB , and B BB , which then determine χ̃. The one-loop theory not only enables the quantitative prediction of χ̃ but also provides useful insight into the dependence of χ̃ on the electrostatic environment (for example, its sensitivity to electrostatic screening). The unapproximated polarizable field theory is amenable to direct simulation via complex Langevin sampling, which we employ here to test the validity of the one-loop results. From simulations of S(k) and ϵ^(k) for a system of polarizable homopolymers, we find that the one-loop theory is best suited to high concentrations, where it performs very well. Finally, we measure χ̃N in simulations of a polarizable diblock copolymer melt and obtain excellent agreement with the one-loop theory. These constitute the first fully fluctuating simulations conducted within the polarizable field theory framework.

  9. An iterative method for hydrodynamic interactions in Brownian dynamics simulations of polymer dynamics

    Science.gov (United States)

    Miao, Linling; Young, Charles D.; Sing, Charles E.

    2017-07-01

    Brownian Dynamics (BD) simulations are a standard tool for understanding the dynamics of polymers in and out of equilibrium. Quantitative comparison can be made to rheological measurements of dilute polymer solutions, as well as direct visual observations of fluorescently labeled DNA. The primary computational challenge with BD is the expensive calculation of hydrodynamic interactions (HI), which are necessary to capture physically realistic dynamics. The full HI calculation, performed via a Cholesky decomposition every time step, scales with the length of the polymer as O(N3). This limits the calculation to a few hundred simulated particles. A number of approximations in the literature can lower this scaling to O(N2 - N2.25), and explicit solvent methods scale as O(N); however both incur a significant constant per-time step computational cost. Despite this progress, there remains a need for new or alternative methods of calculating hydrodynamic interactions; large polymer chains or semidilute polymer solutions remain computationally expensive. In this paper, we introduce an alternative method for calculating approximate hydrodynamic interactions. Our method relies on an iterative scheme to establish self-consistency between a hydrodynamic matrix that is averaged over simulation and the hydrodynamic matrix used to run the simulation. Comparison to standard BD simulation and polymer theory results demonstrates that this method quantitatively captures both equilibrium and steady-state dynamics after only a few iterations. The use of an averaged hydrodynamic matrix allows the computationally expensive Brownian noise calculation to be performed infrequently, so that it is no longer the bottleneck of the simulation calculations. We also investigate limitations of this conformational averaging approach in ring polymers.

  10. Interaction of light with hematite hierarchical structures: Experiments and simulations

    Science.gov (United States)

    Distaso, Monica; Zhuromskyy, Oleksander; Seemann, Benjamin; Pflug, Lukas; Mačković, Mirza; Encina, Ezequiel; Taylor, Robin Klupp; Müller, Rolf; Leugering, Günter; Spiecker, Erdmann; Peschel, Ulf; Peukert, Wolfgang

    2017-03-01

    Mesocrystalline particles have been recognized as a class of multifunctional materials with potential applications in different fields. However, the internal organization of nanocomposite mesocrystals and its influence on the final properties have not yet been investigated. In this paper, a novel strategy based on electrodynamic simulations is developed to shed light on how the internal structure of mesocrystals influences their optical properties. In a first instance, a unified design protocol is reported for the fabrication of hematite/PVP particles with different morphologies such as pseudo-cubes, rods-like and apple-like structures and controlled particle size distributions. The optical properties of hematite/PVP mesocrystals are effectively simulated by taking their aggregate and nanocomposite structure into consideration. The superposition T-Matrix approach accounts for the aggregate nature of mesocrystalline particles and validate the effective medium approximation used in the framework of the Mie theory and electromagnetic simulation such as Finite Element Method. The approach described in our paper provides the framework to understand and predict the optical properties of mesocrystals and more general, of hierarchical nanostructured particles.

  11. Simulation of Coulomb interaction effects in electron sources

    International Nuclear Information System (INIS)

    Rouse, John; Zhu Xieqing; Liu Haoning; Munro, Eric

    2011-01-01

    Over many years, we have developed electron source simulation software that has been used widely in the electron optics community to aid the development of rotationally symmetric electron and ion guns. The simulation includes the modelling of cathode emission and the effects of volumetric space charge. In the present paper we describe the existing software and explain how we have extended this software to include the effects of discrete Coulomb interactions between the electrons as they travel from the cathode surface to the exit of the gun. In the paper, we will describe the numerical models we have employed, the techniques we have used to maximize the speed of the Coulomb force computation and present several illustrative examples of cases analyzed using the new software, including thermal field emitters, LaB 6 guns and flat dispenser-type cathodes.

  12. Hyperon-nucleon interactions - a chiral effective field theory approach

    NARCIS (Netherlands)

    Polinder, H.; Haidenbauer, J.; Meissner, U.G.

    2006-01-01

    We construct the leading order hyperon–nucleon potential in chiral effective field theory. We show that a good description of the available data is possible and discuss briefly further improvements of this scheme

  13. Audio-haptic interaction in simulated walking experiences

    DEFF Research Database (Denmark)

    Serafin, Stefania

    2011-01-01

    and interchangeable use of the haptic and auditory modality in floor interfaces, and for the synergy of perception and action in capturing and guiding human walking. We describe the technology developed in the context of this project, together with some experiments performed to evaluate the role of auditory......In this paper an overview of the work conducted on audio-haptic physically based simulation and evaluation of walking is provided. This work has been performed in the context of the Natural Interactive Walking (NIW) project, whose goal is to investigate possibilities for the integrated...... and haptic feedback in walking tasks....

  14. Light & Skin Interactions Simulations for Computer Graphics Applications

    CERN Document Server

    Baranoski, Gladimir V G

    2010-01-01

    Light and Skin Interactions immerses you in one of the most fascinating application areas of computer graphics: appearance simulation. The book first illuminates the fundamental biophysical processes that affect skin appearance, and reviews seminal related works aimed at applications in life and health sciences. It then examines four exemplary modeling approaches as well as definitive algorithms that can be used to generate realistic images depicting skin appearance. An accompanying companion site also includes complete code and data sources for the BioSpec model, which is considered to be the

  15. Numerical simulation of bosonic-superconducting-string interactions

    International Nuclear Information System (INIS)

    Laguna, P.; Matzner, R.A.

    1990-01-01

    Numerical simulations show that bosonic superconducting U(1) gauge cosmic strings interact by reconnecting and chopping off in a fashion similar to nonconducting strings. Cancellation of the electromagnetic current occurs when, in one of the strings, the direction of the U(1) gauge magnetic field is opposite to the electromagnetic current flow. Electric charge accumulates on the segments of the reconnected strings where the current is discontinuous or vanishes. A virtual photon appears after the collision and intercommutation, and a bubble of electromagnetic radiation emerges as the currents in the reconnected strings equalize. These phenomena suggest new possible mechanisms for void production in the large-scale distribution of galaxies

  16. Working with simulated forms of interaction in health care education

    DEFF Research Database (Denmark)

    Nordentoft, Helle Merete; Olesen, Lektor Birgitte Ravn

    This paper argues that role-play as a simulated form of interaction - live and performed on video - is a creative method which has the potential to generate and support authentic dialogues in practice. In the paper we draw on experiences from 6 interdisciplinary workshops at a Danish hospital...... in which role-play of practice situations - both live and performed on video - formed the launching-pad for participants’ oral and written reflections. Our findings show that role-play has the potential to 1) develop professionals’ sensitivity to the significance of unexpected, embodied and emotional...

  17. Boundary Slip and Surface Interaction: A Lattice Boltzmann Simulation

    International Nuclear Information System (INIS)

    Yan-Yan, Chen; Hua-Bing, Li; Hou-Hui, Yi

    2008-01-01

    The factors affecting slip length in Couette geometry flows are analysed by means of a two-phase mesoscopic lattice Boltzmann model including non-ideal fluid-fluid and fluid-wall interactions. The main factors influencing the boundary slip are the strength of interactions between fluid-fluid and fluid-wall particles. Other factors, such as fluid viscosity, bulk pressure may also change the slip length. We find that boundary slip only occurs under a certain density (bulk pressure). If the density is large enough, the slip length will tend to zero. In our simulations, a low density layer near the wall does not need to be postulated a priori but emerges naturally from the underlying non-ideal mesoscopic dynamics. It is the low density layer that induces the boundary slip. The results may be helpful to understand recent experimental observations on the slippage of micro flows

  18. Simulation of laser-target interactions in a vacuum

    International Nuclear Information System (INIS)

    Goldman, S.R.; Gitomer, S.L.; Kopp, R.A.; Saltzman, J.S.; Dingus, R.S.

    1985-01-01

    This paper presents numerical simulations for two problem classes. First we study (and compare against one-dimensional analogues) the two dimensional azimuthally symmetric interaction appropriate to a laser pulse energy of order 100 joules, flat-top pulse of width 50 nanoseconds, and wavelength of 0.25 μm, with intensities ranging from 2 x 10 9 W/cm 2 to 2 x 10 12 W/cm 2 . These conditions correspond to an experimental series shot on the Sprite laser at the Rutherford-Appleton Laboratory during the summer of 1985. Next we study the interaction, especially as concerns momentum coupling, for one-dimensional nondiverging geometry, at laser wavelengths of 0.25 μm and 10.6 μm and flat-topped pulsewidths of 1 μsec, with intensities ranging from 10 9 to 10 12 W/cm 2 . In all cases, calculations are for aluminum targets in vacuum

  19. Molecular dynamics simulations of lipid bilayers : major artifacts due to truncating electrostatic interactions

    NARCIS (Netherlands)

    Patra, M.; Karttunen, M.E.J.; Hyvönen, M.T.; Falck, E.; Lindqvist, P.; Vattulainen, I.

    2003-01-01

    We study the influence of truncating the electrostatic interactions in a fully hydrated pure dipalmitoylphosphatidylcholine (DPPC) bilayer through 20 ns molecular dynamics simulations. The computations in which the electrostatic interactions were truncated are compared to similar simulations using

  20. A Graphical Interactive Simulation Environment for Production Planning in Bacon Factories

    DEFF Research Database (Denmark)

    Nielsen, Kirsten Mølgaard; Nielsen, Jens Frederik Dalsgaard

    1994-01-01

    The paper describes a graphical interactive simulation tool for production planning in bacon factories........The paper describes a graphical interactive simulation tool for production planning in bacon factories.....

  1. Attractive versus repulsive interactions in the Bose-Einstein condensation dynamics of relativistic field theories

    Science.gov (United States)

    Berges, J.; Boguslavski, K.; Chatrchyan, A.; Jaeckel, J.

    2017-10-01

    We study the impact of attractive self-interactions on the nonequilibrium dynamics of relativistic quantum fields with large occupancies at low momenta. Our primary focus is on Bose-Einstein condensation and nonthermal fixed points in such systems. For a model system, we consider O (N ) -symmetric scalar field theories. We use classical-statistical real-time simulations as well as a systematic 1 /N expansion of the quantum (two-particle-irreducible) effective action to next-to-leading order. When the mean self-interactions are repulsive, condensation occurs as a consequence of a universal inverse particle cascade to the zero-momentum mode with self-similar scaling behavior. For attractive mean self-interactions, the inverse cascade is absent, and the particle annihilation rate is enhanced compared to the repulsive case, which counteracts the formation of coherent field configurations. For N ≥2 , the presence of a nonvanishing conserved charge can suppress number-changing processes and lead to the formation of stable localized charge clumps, i.e., Q balls.

  2. Radiation interaction with substance and simulation of the nuclear geophysical problems

    International Nuclear Information System (INIS)

    Pshenichnyj, G.A.

    1982-01-01

    Main processes of interaction of various types of nuclear radiation (NR) with substance, NR transport theory and physical- mathematical simulation of basic problems of nuclear geophysics (NG) are considered. General classification of NG methods according to the type of the detected radiation with a more detailed division according to the physical essence of the interaction process employed is given. Direct NG problems are related to the study of space- energy radiation distribution in substance under certain cross sections of elementary interaction processes, substance properties and specified geometric conditions. The theoretical solution of the direct problems is based on using mathematical models of radiation transport in specified media. The NG inverse problems consist in determining element composition and other medium properties by data of integral or spectral characteristics of NR fields measurements. The NR in the course of its transport in substance can experience dozens of elementary interaction processes, the predominance of this or that process depending on NR energy, medium properties and geometric measurement conditions. This explains a wide NG method diversity. The Monte Carlo method application in the NR transport theory and various methods of decreasing calculations labour input are considered [ru

  3. Simulation of mode converted ion Bernstein wave - beam deuteron interactions on TFTR

    Science.gov (United States)

    Herrmann, Mark; Fisch, Nathaniel

    1998-11-01

    Experiments on TFTR have documented strong interactions between mode converted ion Bernstein waves (MCIBW) and beam deuterons(D. S. Darrow et al.), Nucl. Fusion 36, 509 (1996).^,(N. J. Fisch et al.), IAEA, Vol. 1, p. 271 (1996). This is of particular interest in the study of α channelling, since the most promising scenarios(M. C. Herrmann and N. J. Fisch, Phys. Rev. Lett. 79), 1495 (1997). rely on a suitable combination of MCIBW and Alfvén eigenmodes to achieve the cooling of the α particles. Collisional effects, realistic wave fields, and a detailed model of the wave-particle interaction have been added to the Monte Carlo simulations which are used to simulate α channelling in order to model TFTR experiments(M. C. Herrmann, Ph.D. thesis, Princeton University, 1998.). The results are found to be in qualitative agreement with the data. In addition, the simulation is used, in conjunction with the data, to demonstrate the existence of the k_\\|-flip of the MCIBW, and to infer a diffusion coefficient for the beam deuterons interacting with the wave. This diffusion coefficient significantly exceeds what would be expected on the basis of quasilinear theory with the fields specified by 1 D ray tracing of the MCIBW.

  4. SIMULATION AND INVESTIGATION OF TIRE TREAD BLOCKS INTERACTION WITH ICE

    Directory of Open Access Journals (Sweden)

    Andrius Ružinskas

    2017-12-01

    Full Text Available The car tire is an essential subject analysing its interaction with the road. From tire’s tread condition, geometry and rubber compound depends grip and vehicle stability. This is especially relevant in winter time, when roads are covered with the layer of snow or ice. Generally, new tires are tested in real traffic conditions using vehicles. However, ensuring these conditions requires many resources and sometimes it could be a big challenge. For this reason, simulation of the tire interaction with the road becomes more important in nowadays tire researches. Since the tire is a complex engineering subject, the tire tread blocks could be separated for individual analysis. The interaction between the dry ice and the tread block with sipes was analysed using finite element analysis. The tread block was described using hyperelastic Mooney­Rivlin material model. The deformations, distribution of the contact pressure and shear stresses were obtained for the soft and hard rubber compounds with different vertical load conditions. Also a solid tread block interaction was analysed and it was found that values of contact pressure and shear stresses are much lower comparing to siped tread block.

  5. Femtosecond laser-matter interaction theory, experiments and applications

    CERN Document Server

    Gamaly, Eugene G

    2011-01-01

    Basics of Ultra-Short Laser-Solid InteractionsSubtle Atomic Motion Preceding a Phase Transition: Birth, Life and Death of PhononsUltra-Fast Disordering by fs-Lasers: Superheating Prior to Entropy CatastropheAblation of SolidsUltra-Short Laser-Matter Interaction Confined Inside a Bulk of Transparent SolidApplications of Ultra-Short Laser-Matter InteractionsConclusion Remarks.

  6. Continuum percolation of polydisperse rods in quadrupole fields: Theory and simulations

    Science.gov (United States)

    Finner, Shari P.; Kotsev, Mihail I.; Miller, Mark A.; van der Schoot, Paul

    2018-01-01

    We investigate percolation in mixtures of nanorods in the presence of external fields that align or disalign the particles with the field axis. Such conditions are found in the formulation and processing of nanocomposites, where the field may be electric, magnetic, or due to elongational flow. Our focus is on the effect of length polydispersity, which—in the absence of a field—is known to produce a percolation threshold that scales with the inverse weight average of the particle length. Using a model of non-interacting spherocylinders in conjunction with connectedness percolation theory, we show that a quadrupolar field always increases the percolation threshold and that the universal scaling with the inverse weight average no longer holds if the field couples to the particle length. Instead, the percolation threshold becomes a function of higher moments of the length distribution, where the order of the relevant moments crucially depends on the strength and type of field applied. The theoretical predictions compare well with the results of our Monte Carlo simulations, which eliminate finite size effects by exploiting the fact that the universal scaling of the wrapping probability function holds even in anisotropic systems. Theory and simulation demonstrate that the percolation threshold of a polydisperse mixture can be lower than that of the individual components, confirming recent work based on a mapping onto a Bethe lattice as well as earlier computer simulations involving dipole fields. Our work shows how the formulation of nanocomposites may be used to compensate for the adverse effects of aligning fields that are inevitable under practical manufacturing conditions.

  7. SIMUL - a program for the simulation of interactions in the streamer chamber RISK

    International Nuclear Information System (INIS)

    Friebel, W.; Gajewski, J.; Halm, I.

    1976-08-01

    A program for the simulation of interactions in the streamer chamber RISK is described. This program allows first investigations and tests for planning and preparing experiments. In the program the trajectories of all particles taking part in the interaction are computed. Selected points are projected onto film planes serving as measurement points for the use in the geometrical reconstruction. The program is used for testing a geometry program. But it also seems to be very helpful in investigating counter and trigger constellations and in the calculation of counting rates and trigger effectivities. (author)

  8. Numerical Simulations of Marine Hydrokinetic (MHK) Turbines Using the Blade Element Momentum Theory

    Science.gov (United States)

    Javaherchi, Teymour; Thulin, Oskar; Aliseda, Alberto

    2011-11-01

    Energy extraction from the available kinetic energy in tidal currents via Marine Hydrokinetic (MHK) turbines has recently attracted scientists' attention as a highly predictable source of renewable energy. The strongest tidal resources have a concentrated nature that require close turbine spacing in a farm of MHK turbines. This tight spacing, however, will lead to interaction of the downstream turbines with the turbulent wake generated by upstream turbines. This interaction can significantly reduce the power generated and possibly result in structural failure before the expected service life is completed. Development of a numerical methodology to study the turbine-wake interaction can provide a tool for optimization of turbine spacing to maximize the power generated in turbine arrays. In this work, we will present numerical simulations of the flow field in a farm of horizontal axis MHK turbines using the Blade Element Momentum Theory (BEMT). We compare the value of integral variables (i.e. efficiency, power, torque and etc.) calculated for each turbine in the farm for different arrangements with varying streamwise and lateral offsets between turbines. We find that BEMT provides accurate estimates of turbine efficiency under uniform flow conditions, but overpredicts the efficiency of downstream turbines when they are strongly affected by the wakes. Supported by DOE through the National Northwest Marine Renewable Energy Center.

  9. Studying emotion theories through connectivity analysis: Evidence from generalized psychophysiological interactions and graph theory.

    Science.gov (United States)

    Huang, Yun-An; Jastorff, Jan; Van den Stock, Jan; Van de Vliet, Laura; Dupont, Patrick; Vandenbulcke, Mathieu

    2018-05-15

    Psychological construction models of emotion state that emotions are variable concepts constructed by fundamental psychological processes, whereas according to basic emotion theory, emotions cannot be divided into more fundamental units and each basic emotion is represented by a unique and innate neural circuitry. In a previous study, we found evidence for the psychological construction account by showing that several brain regions were commonly activated when perceiving different emotions (i.e. a general emotion network). Moreover, this set of brain regions included areas associated with core affect, conceptualization and executive control, as predicted by psychological construction models. Here we investigate directed functional brain connectivity in the same dataset to address two questions: 1) is there a common pathway within the general emotion network for the perception of different emotions and 2) if so, does this common pathway contain information to distinguish between different emotions? We used generalized psychophysiological interactions and information flow indices to examine the connectivity within the general emotion network. The results revealed a general emotion pathway that connects neural nodes involved in core affect, conceptualization, language and executive control. Perception of different emotions could not be accurately classified based on the connectivity patterns from the nodes of the general emotion pathway. Successful classification was achieved when connections outside the general emotion pathway were included. We propose that the general emotion pathway functions as a common pathway within the general emotion network and is involved in shared basic psychological processes across emotions. However, additional connections within the general emotion network are required to classify different emotions, consistent with a constructionist account. Copyright © 2018 Elsevier Inc. All rights reserved.

  10. AXISYMMETRIC SIMULATIONS OF HOT JUPITER–STELLAR WIND HYDRODYNAMIC INTERACTION

    International Nuclear Information System (INIS)

    Christie, Duncan; Arras, Phil; Li, Zhi-Yun

    2016-01-01

    Gas giant exoplanets orbiting at close distances to the parent star are subjected to large radiation and stellar wind fluxes. In this paper, hydrodynamic simulations of the planetary upper atmosphere and its interaction with the stellar wind are carried out to understand the possible flow regimes and how they affect the Lyα transmission spectrum. Following Tremblin and Chiang, charge exchange reactions are included to explore the role of energetic atoms as compared to thermal particles. In order to understand the role of the tail as compared to the leading edge of the planetary gas, the simulations were carried out under axisymmetry, and photoionization and stellar wind electron impact ionization reactions were included to limit the extent of the neutrals away from the planet. By varying the planetary gas temperature, two regimes are found. At high temperature, a supersonic planetary wind is found, which is turned around by the stellar wind and forms a tail behind the planet. At lower temperatures, the planetary wind is shut off when the stellar wind penetrates inside where the sonic point would have been. In this regime mass is lost by viscous interaction at the boundary between planetary and stellar wind gases. Absorption by cold hydrogen atoms is large near the planetary surface, and decreases away from the planet as expected. The hot hydrogen absorption is in an annulus and typically dominated by the tail, at large impact parameter, rather than by the thin leading edge of the mixing layer near the substellar point

  11. AXISYMMETRIC SIMULATIONS OF HOT JUPITER–STELLAR WIND HYDRODYNAMIC INTERACTION

    Energy Technology Data Exchange (ETDEWEB)

    Christie, Duncan; Arras, Phil; Li, Zhi-Yun [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States)

    2016-03-20

    Gas giant exoplanets orbiting at close distances to the parent star are subjected to large radiation and stellar wind fluxes. In this paper, hydrodynamic simulations of the planetary upper atmosphere and its interaction with the stellar wind are carried out to understand the possible flow regimes and how they affect the Lyα transmission spectrum. Following Tremblin and Chiang, charge exchange reactions are included to explore the role of energetic atoms as compared to thermal particles. In order to understand the role of the tail as compared to the leading edge of the planetary gas, the simulations were carried out under axisymmetry, and photoionization and stellar wind electron impact ionization reactions were included to limit the extent of the neutrals away from the planet. By varying the planetary gas temperature, two regimes are found. At high temperature, a supersonic planetary wind is found, which is turned around by the stellar wind and forms a tail behind the planet. At lower temperatures, the planetary wind is shut off when the stellar wind penetrates inside where the sonic point would have been. In this regime mass is lost by viscous interaction at the boundary between planetary and stellar wind gases. Absorption by cold hydrogen atoms is large near the planetary surface, and decreases away from the planet as expected. The hot hydrogen absorption is in an annulus and typically dominated by the tail, at large impact parameter, rather than by the thin leading edge of the mixing layer near the substellar point.

  12. THIEF: An interactive simulation of nuclear materials safeguards

    Energy Technology Data Exchange (ETDEWEB)

    Stanbro, W. D.

    1990-01-01

    The safeguards community is facing an era in which it will be called upon to tighten protection of nuclear material. At the same time, it is probable that safeguards will face more competition for available resources from other activities such as environmental cleanup. To exist in this era, it will be necessary to understand and coordinate all aspects of the safeguards system. Because of the complexity of the interactions involved, this process puts a severe burden on designers and operators of safeguards systems. This paper presents a simulation tool developed at the Los Alamos National Laboratory to allow users to examine the interactions among safeguards elements as they apply to combating the insider threat. The tool consists of a microcomputer-based simulation in which the user takes the role of the insider trying to remove nuclear material from a facility. The safeguards system is run by the computer and consists of both physical protection and MC A computer elements. All data elements describing a scenario can be altered by the user. The program can aid in training, as well as in developing threat scenarios. 4 refs.

  13. Building interactive simulations in a Web page design program.

    Science.gov (United States)

    Kootsey, J Mailen; Siriphongs, Daniel; McAuley, Grant

    2004-01-01

    A new Web software architecture, NumberLinX (NLX), has been integrated into a commercial Web design program to produce a drag-and-drop environment for building interactive simulations. NLX is a library of reusable objects written in Java, including input, output, calculation, and control objects. The NLX objects were added to the palette of available objects in the Web design program to be selected and dropped on a page. Inserting an object in a Web page is accomplished by adding a template block of HTML code to the page file. HTML parameters in the block must be set to user-supplied values, so the HTML code is generated dynamically, based on user entries in a popup form. Implementing the object inspector for each object permits the user to edit object attributes in a form window. Except for model definition, the combination of the NLX architecture and the Web design program permits construction of interactive simulation pages without writing or inspecting code.

  14. An interactive beam line simulator module for RHIC

    International Nuclear Information System (INIS)

    MacKay, W.W.

    1997-01-01

    This paper describes the interactive simulation engine, bl, designed for the RHIC project. The program tracks as output to shared memory the central orbit, Twiss and dispersion functions, as well as the 6 x 6 beam hyperellipsoid. Transfer matrices between elements are available via interactive requests. Using a 6-d model, optical elements are modeled with a linear transfer matrix and a vector. The vector allows simulation of misalignments, shifts in field strengths, and beam rigidity. Currently only a linear model is used for elements. In addition to the usual magnets, a foil element is included which can shift the beam's rigidity (resulting from a change of charge and energy loss), as well as increase the momentum spread and emittance. Running as a Glish client, bl can be interfaced to other programs, such as an orbit plotter and a power supply application to give a quick prediction of the beam orbit from actual operating currents in the accelerator. Various strengths and offsets may be changed by sending Glish events to bl

  15. Accommodating Twitter: Communication Accommodation Theory and Classroom Interactions

    Science.gov (United States)

    Parcha, Joshua M.

    2014-01-01

    Research finds that student effectiveness can be related to how well a student interacts and communicates in the classroom, supporting the notion that student-student interaction is important (Frymier, 2005; Poulou, 2009). According to Sidelinger and Booth-Butterfield (2010), student-student connectedness (defined as "a supportive and…

  16. An Interactive Learning Environment for Information and Communication Theory

    Science.gov (United States)

    Hamada, Mohamed; Hassan, Mohammed

    2017-01-01

    Interactive learning tools are emerging as effective educational materials in the area of computer science and engineering. It is a research domain that is rapidly expanding because of its positive impacts on motivating and improving students' performance during the learning process. This paper introduces an interactive learning environment for…

  17. The interaction between theory and experiment in charge density analysis

    International Nuclear Information System (INIS)

    Coppens, Phillip

    2013-01-01

    The field of x-ray charge density analysis has gradually morphed into an area benefiting from the strong interactions between theoreticians and experimentalists, leading to new concepts on chemical bonding and of intermolecular interactions in condensed phases. Some highlights of the developments culminating in the 2013 Aminoff Award are described in this paper. (comment)

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

    Science.gov (United States)

    Shiga, Motoyuki; Masia, Marco

    2013-07-28

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

  19. Investigating dislocation motion through a field of solutes with atomistic simulations and reaction rate theory

    International Nuclear Information System (INIS)

    Saroukhani, S.; Warner, D.H.

    2017-01-01

    The rate of thermally activated dislocation motion across a field of solutes is studied using traditional and modern atomistically informed rate theories. First, the accuracy of popular variants of the Harmonic Transition State Theory, as the most common approach, is examined by comparing predictions to direct MD simulations. It is shown that HTST predictions are grossly inaccurate due to the anharmonic effect of thermal softening. Next, the utility of the Transition Interface Sampling was examined as the method was recently shown to be effective for predicting the rate of dislocation-precipitate interactions. For dislocation-solute interactions studied here, TIS is found to be accurate only when the dislocation overcomes multiple obstacles at a time, i.e. jerky motion, and it is inaccurate in the unpinning regime where the energy barrier is of diffusive nature. It is then shown that the Partial Path TIS method - designed for diffusive barriers - provides accurate predictions in the unpinning regime. The two methods are then used to study the temperature and load dependence of the rate. It is shown that Meyer-Neldel (MN) rule prediction of the entropy barrier is not as accurate as it is in the case of dislocation-precipitate interactions. In response, an alternative model is proposed that provides an accurate prediction of the entropy barrier. This model can be combined with TST to offer an attractively simple rate prediction approach. Lastly, (PP)TIS is used to predict the Strain Rate Sensitivity (SRS) factor at experimental strain rates and the predictions are compared to experimental values.

  20. Phenomenological theory of synergistic effects in plasma-wall interaction

    International Nuclear Information System (INIS)

    Itoh, N.; Hasebe, Y.

    1986-01-01

    A phenomenological theory for synergistic effects under multi-species particle bombardement has been developed. The theory is based on a model in which two free-energy minima are assumed to be overcome under actions of radiation for a process to be completed. The synergistic factor, the ratio of the yield of the process under irradiation with two species of particles to the summation of the yields of the process under irradiation with each of two component species, is obtained as a function of the beam flux for several parameters relevant to thermodynamic and radiation-enhanced processes. The criterion for the synergistic effect is obtained. The theory has been shown to be able to explain the yield-flux relation obtained by Haasz et al. for hydrogen-induced methane formation from graphite. (orig.)

  1. War and Peace in International Relations Theory: A Classroom Simulation

    Science.gov (United States)

    Sears, Nathan Alexander

    2018-01-01

    Simulations are increasingly common pedagogical tools in political science and international relations courses. This article develops a classroom simulation that aims to facilitate students' theoretical understanding of the topic of war and peace in international relations, and accomplishes this by incorporating important theoretical concepts…

  2. Time dependent density matrix theory and effective interaction

    Energy Technology Data Exchange (ETDEWEB)

    Tohyama, Mitsuru [Kyorin Univ., Mitaka, Tokyo (Japan). School of Medicine

    1998-07-01

    A correlated ground state of {sup 16}O and an E2 giant resonance built on it are calculated using an extended version of the time-dependent Hartree-Fock theory called the time-dependent density-matrix theory (TDDM). The Skyrme force is used in the calculation of both a mean field and two-body correlations. It is found that TDDM gives reasonable ground-state correlations and a large spreading width of the E2 giant resonance when single-particle states in the continuum are treated appropriately. (author)

  3. Superfluid and insulating phases in an interacting-boson model: mean-field theory and the RPA

    International Nuclear Information System (INIS)

    Sheshadri, K.; Pandit, R.; Krishnamurthy, H.R.; Ramakrishnan, T.V.

    1993-01-01

    The bosonic Hubbard model is studied via a simple mean-field theory. At zero temperature, in addition to yielding a phase diagram that is qualitatively correct, namely a superfluid phase for non-integer fillings and a Mott transition from a superfluid to an insulating phase for integer fillings, this theory gives results that are in good agreement with Monte Carlo simulations. In particular, the superfluid fraction obtained as a function of the interaction strength U for both integer and non-integer fillings is close to the simulation results. In all phases the excitation spectra are obtained by using the random phase approximation (RPA): the spectrum has a gap in the insulating phase and is gapless (and linear at small wave vectors) in the superfluid phase. Analytic results are presented in the limits of large U and small superfluid density. Finite-temperature phase diagrams and the Mott-insulator-normal-phase crossover are also described. (orig.)

  4. Plasma theory and simulation. Quarterly progress report I, II, January 1-June 30, 1984

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1984-01-01

    Our group uses theory and simulation as tools in order to increase the understanding of instabilities, heating, transport, and other phenomena in plasmas. We also work on the improvement of simulation both theoretically and practically. Research in plasma theory and simulation has centered on the following: (1) electron Bernstein wave investigations; (2) simulation of plasma-sheath region, including ion reflection; (3) single ended plasma device, general behavior dc or ac; (4) single ended plasma device, unstable states; (5) corrections to time-independent Q-machine equilibria; (6) multifluid derivation of the Alfven ion-cyclotron linear dispersion relation; and (7) potential barrier between hot and cool plasmas

  5. Simulations of structure formation in interacting dark energy cosmologies

    International Nuclear Information System (INIS)

    Baldi, M.

    2009-01-01

    The evidence in favor of a dark energy component dominating the Universe, and driving its presently accelerated expansion, has progressively grown during the last decade of cosmological observations. If this dark energy is given by a dynamic scalar field, it may also have a direct interaction with other matter fields in the Universe, in particular with cold dark matter. Such interaction would imprint new features on the cosmological background evolution as well as on the growth of cosmic structure, like an additional long-range fifth-force between massive particles, or a variation in time of the dark matter particle mass. We present here the implementation of these new physical effects in the N-body code GADGET-2, and we discuss the outcomes of a series of high-resolution N-body simulations for a selected family of interacting dark energy models. We interestingly find, in contrast with previous claims, that the inner overdensity of dark matter halos decreases in these models with respect to ΛCDM, and consistently halo concentrations show a progressive reduction for increasing couplings. Furthermore, the coupling induces a bias in the overdensities of cold dark matter and baryons that determines a decrease of the halo baryon fraction below its cosmological value. These results go in the direction of alleviating tensions between astrophysical observations and the predictions of the ΛCDM model on small scales, thereby opening new room for coupled dark energy models as an alternative to the cosmological constant.

  6. Interacting bosons model and relation with BCS theory

    International Nuclear Information System (INIS)

    Diniz, R.

    1990-01-01

    The Nambu mechanism for BCS theory is extended with inclusion of quadrupole pairing in addition to the usual monopole pairing. An effective Hamiltonian is constructed and its relation to the IBM is discussed. The faced difficulties and a possible generalization of this model are discussed. (author)

  7. Preparing Students for (Inter-)Action with Activity Theory

    DEFF Research Database (Denmark)

    Bødker, Susanne; Klokmose, Clemens Nylandsted

    2012-01-01

    In this paper we explore recent developments in activity theoretical HCI with the purpose of preparing designers for action. The paper discusses two projects where students engaged in iterative design applying fundamental principles from Activity Theory. They had been introduced to these principles...

  8. Computational physics an introduction to Monte Carlo simulations of matrix field theory

    CERN Document Server

    Ydri, Badis

    2017-01-01

    This book is divided into two parts. In the first part we give an elementary introduction to computational physics consisting of 21 simulations which originated from a formal course of lectures and laboratory simulations delivered since 2010 to physics students at Annaba University. The second part is much more advanced and deals with the problem of how to set up working Monte Carlo simulations of matrix field theories which involve finite dimensional matrix regularizations of noncommutative and fuzzy field theories, fuzzy spaces and matrix geometry. The study of matrix field theory in its own right has also become very important to the proper understanding of all noncommutative, fuzzy and matrix phenomena. The second part, which consists of 9 simulations, was delivered informally to doctoral students who are working on various problems in matrix field theory. Sample codes as well as sample key solutions are also provided for convenience and completness. An appendix containing an executive arabic summary of t...

  9. Nucleic acid polymeric properties and electrostatics: Directly comparing theory and simulation with experiment.

    Science.gov (United States)

    Sim, Adelene Y L

    2016-06-01

    Nucleic acids are biopolymers that carry genetic information and are also involved in various gene regulation functions such as gene silencing and protein translation. Because of their negatively charged backbones, nucleic acids are polyelectrolytes. To adequately understand nucleic acid folding and function, we need to properly describe its i) polymer/polyelectrolyte properties and ii) associating ion atmosphere. While various theories and simulation models have been developed to describe nucleic acids and the ions around them, many of these theories/simulations have not been well evaluated due to complexities in comparison with experiment. In this review, I discuss some recent experiments that have been strategically designed for straightforward comparison with theories and simulation models. Such data serve as excellent benchmarks to identify limitations in prevailing theories and simulation parameters. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Simulating the interaction of jets with the intracluster medium

    Science.gov (United States)

    Weinberger, Rainer; Ehlert, Kristian; Pfrommer, Christoph; Pakmor, Rüdiger; Springel, Volker

    2017-10-01

    Jets from supermassive black holes in the centres of galaxy clusters are a potential candidate for moderating gas cooling and subsequent star formation through depositing energy in the intracluster gas. In this work, we simulate the jet-intracluster medium interaction using the moving-mesh magnetohydrodynamics code arepo. Our model injects supersonic, low-density, collimated and magnetized outflows in cluster centres, which are then stopped by the surrounding gas, thermalize and inflate low-density cavities filled with cosmic rays. We perform high-resolution, non-radiative simulations of the lobe creation, expansion and disruption, and find that its dynamical evolution is in qualitative agreement with simulations of idealized low-density cavities that are dominated by a large-scale Rayleigh-Taylor instability. The buoyant rising of the lobe does not create energetically significant small-scale chaotic motion in a volume-filling fashion, but rather a systematic upward motion in the wake of the lobe and a corresponding back-flow antiparallel to it. We find that, overall, 50 per cent of the injected energy ends up in material that is not part of the lobe, and about 25 per cent remains in the inner 100 kpc. We conclude that jet-inflated, buoyantly rising cavities drive systematic gas motions that play an important role in heating the central regions, while mixing of lobe material is subdominant. Encouragingly, the main mechanisms responsible for this energy deposition can be modelled already at resolutions within reach in future, high-resolution cosmological simulations of galaxy clusters.

  11. An overview of adaptive model theory: solving the problems of redundancy, resources, and nonlinear interactions in human movement control.

    Science.gov (United States)

    Neilson, Peter D; Neilson, Megan D

    2005-09-01

    Adaptive model theory (AMT) is a computational theory that addresses the difficult control problem posed by the musculoskeletal system in interaction with the environment. It proposes that the nervous system creates motor maps and task-dependent synergies to solve the problems of redundancy and limited central resources. These lead to the adaptive formation of task-dependent feedback/feedforward controllers able to generate stable, noninteractive control and render nonlinear interactions unobservable in sensory-motor relationships. AMT offers a unified account of how the nervous system might achieve these solutions by forming internal models. This is presented as the design of a simulator consisting of neural adaptive filters based on cerebellar circuitry. It incorporates a new network module that adaptively models (in real time) nonlinear relationships between inputs with changing and uncertain spectral and amplitude probability density functions as is the case for sensory and motor signals.

  12. Quantum theory of nonrelativistic particles interacting with gravity

    International Nuclear Information System (INIS)

    Anastopoulos, C.

    1996-01-01

    We investigate the effects of the gravitational field on the quantum dynamics of nonrelativistic particles. We consider N nonrelativistic particles, interacting with the linearized gravitational field. Using the Feynman-Vernon influence functional technique, we trace out the graviton field to obtain a master equation for the system of particles to first order in G. The effective interaction between the particles as well as the self-interaction is in general non-Markovian. We show that the gravitational self-interaction cannot be held responsible for decoherence of microscopic particles due to the fast vanishing of the diffusion function. For macroscopic particles though, it leads to diagonalization to the energy eigenstate basis, a desirable feature in gravity-induced collapse models. We finally comment on possible applications. copyright 1996 The American Physical Society

  13. Theory and Applications of Weakly Interacting Markov Processes

    Science.gov (United States)

    2018-02-03

    between a node and its neighbor is inversely 3 proportional to the total number of neighbors of that node. Such stochastic systems arise in many different...jumps and models with simultaneous jumps that arise in applications. (1.ii.d) Uniform in Time Interacting Particle Approximations for Nonlinear...problems. (1.iv.a) Diffusion Approximations for Controlled Weakly Interacting Large Finite State Systems with Simultaneous Jumps [25]. We consider a rate

  14. Interaction range perturbation theory for three-particle problem

    International Nuclear Information System (INIS)

    Simenog, I.V.; Shapoval, D.V.

    1988-01-01

    The limit of zero interaction range is correctly defined for a system of three spinless particles and three particles in a doublet state. The scattering amplitude is expanded with respect to the interaction range r, and the corrections of order r ln r, r, and r 2 ln2 r are found. An explicit model-independent asymptotic expression is obtained for the scattering amplitude in terms of the scattering length, and its accuracy is established

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

    DEFF Research Database (Denmark)

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

    2008-01-01

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

  16. Similarity-transformed perturbation theory on top of truncated local coupled cluster solutions: Theory and applications to intermolecular interactions

    Energy Technology Data Exchange (ETDEWEB)

    Azar, Richard Julian, E-mail: julianazar2323@berkeley.edu; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-05-28

    Your correspondents develop and apply fully nonorthogonal, local-reference perturbation theories describing non-covalent interactions. Our formulations are based on a Löwdin partitioning of the similarity-transformed Hamiltonian into a zeroth-order intramonomer piece (taking local CCSD solutions as its zeroth-order eigenfunction) plus a first-order piece coupling the fragments. If considerations are limited to a single molecule, the proposed intermolecular similarity-transformed perturbation theory represents a frozen-orbital variant of the “(2)”-type theories shown to be competitive with CCSD(T) and of similar cost if all terms are retained. Different restrictions on the zeroth- and first-order amplitudes are explored in the context of large-computation tractability and elucidation of non-local effects in the space of singles and doubles. To accurately approximate CCSD intermolecular interaction energies, a quadratically growing number of variables must be included at zeroth-order.

  17. State of Theory and Computer Simulations of Radiation Effects in Ceramics

    International Nuclear Information System (INIS)

    Corrales, Louis R.; Weber, William J.

    2003-01-01

    This article presents opinions based on the presentations and discussions at a Workshop on Theory and Computer Simulations of Radiation Effects in Ceramics held in August 2002 at Pacific Northwest National Laboratory in Richland, WA, USA. The workshop was focused on the current state-of-the-art of theory, modeling and simulation of radiation effects in oxide ceramics, directions for future breakthroughs, and creating a close integration with experiment

  18. Electrostatic solvation free energies of charged hard spheres using molecular dynamics with density functional theory interactions

    Science.gov (United States)

    Duignan, Timothy T.; Baer, Marcel D.; Schenter, Gregory K.; Mundy, Chistopher J.

    2017-10-01

    Determining the solvation free energies of single ions in water is one of the most fundamental problems in physical chemistry and yet many unresolved questions remain. In particular, the ability to decompose the solvation free energy into simple and intuitive contributions will have important implications for models of electrolyte solution. Here, we provide definitions of the various types of single ion solvation free energies based on different simulation protocols. We calculate solvation free energies of charged hard spheres using density functional theory interaction potentials with molecular dynamics simulation and isolate the effects of charge and cavitation, comparing to the Born (linear response) model. We show that using uncorrected Ewald summation leads to unphysical values for the single ion solvation free energy and that charging free energies for cations are approximately linear as a function of charge but that there is a small non-linearity for small anions. The charge hydration asymmetry for hard spheres, determined with quantum mechanics, is much larger than for the analogous real ions. This suggests that real ions, particularly anions, are significantly more complex than simple charged hard spheres, a commonly employed representation.

  19. Interactions of microbicide nanoparticles with a simulated vaginal fluid.

    Science.gov (United States)

    das Neves, José; Rocha, Cristina M R; Gonçalves, Maria Pilar; Carrier, Rebecca L; Amiji, Mansoor; Bahia, Maria Fernanda; Sarmento, Bruno

    2012-11-05

    The interaction with cervicovaginal mucus presents the potential to impact the performance of drug nanocarriers. These systems must migrate through this biological fluid in order to deliver their drug payload to the underlying mucosal surface. We studied the ability of dapivirine-loaded polycaprolactone (PCL)-based nanoparticles (NPs) to interact with a simulated vaginal fluid (SVF) incorporating mucin. Different surface modifiers were used to produce NPs with either negative (poloxamer 338 NF and sodium lauryl sulfate) or positive (cetyltrimethylammonium bromide) surface charge. Studies were performed using the mucin particle method, rheological measurements, and real-time multiple particle tracking. Results showed that SVF presented rheological properties similar to those of human cervicovaginal mucus. Analysis of NP transport indicated mild interactions with mucin and low adhesive potential. In general, negatively charged NPs underwent subdiffusive transport in SVF, i.e., hindered as compared to their diffusion in water, but faster than for positively charged NPs. These differences were increased when the pH of SVF was changed from 4.2 to 7.0. Diffusivity was 50- and 172-fold lower in SVF at pH 4.2 than in water for negatively charged and positively charged NPs, respectively. At pH 7.0, this decrease was around 20- and 385-fold, respectively. The estimated times required to cross a layer of SVF were equal to or lower than 1.7 h for negatively charged NPs, while for positively charged NPs these values were equal to or higher than 7 h. Overall, our results suggest that negatively charged PCL NPs may be suitable to be used as carriers in order to deliver dapivirine and potentially other antiretroviral drugs to the cervicovaginal mucosal lining. Also, they further reinforce the importance in characterizing the interactions of nanosystems with mucus fluids or surrogates when considering mucosal drug delivery.

  20. Simulations of GCR interactions within planetary bodies using GEANT4

    Science.gov (United States)

    Mesick, K.; Feldman, W. C.; Stonehill, L. C.; Coupland, D. D. S.

    2017-12-01

    On planetary bodies with little to no atmosphere, Galactic Cosmic Rays (GCRs) can hit the body and produce neutrons primarily through nuclear spallation within the top few meters of the surfaces. These neutrons undergo further nuclear interactions with elements near the planetary surface and some will escape the surface and can be detected by landed or orbiting neutron radiation detector instruments. The neutron leakage signal at fast neutron energies provides a measure of average atomic mass of the near-surface material and in the epithermal and thermal energy ranges is highly sensitive to the presence of hydrogen. Gamma-rays can also escape the surface, produced at characteristic energies depending on surface composition, and can be detected by gamma-ray instruments. The intra-nuclear cascade (INC) that occurs when high-energy GCRs interact with elements within a planetary surface to produce the leakage neutron and gamma-ray signals is highly complex, and therefore Monte Carlo based radiation transport simulations are commonly used for predicting and interpreting measurements from planetary neutron and gamma-ray spectroscopy instruments. In the past, the simulation code that has been widely used for this type of analysis is MCNPX [1], which was benchmarked against data from the Lunar Neutron Probe Experiment (LPNE) on Apollo 17 [2]. In this work, we consider the validity of the radiation transport code GEANT4 [3], another widely used but open-source code, by benchmarking simulated predictions of the LPNE experiment to the Apollo 17 data. We consider the impact of different physics model options on the results, and show which models best describe the INC based on agreement with the Apollo 17 data. The success of this validation then gives us confidence in using GEANT4 to simulate GCR-induced neutron leakage signals on Mars in relevance to a re-analysis of Mars Odyssey Neutron Spectrometer data. References [1] D.B. Pelowitz, Los Alamos National Laboratory, LA-CP-05

  1. Oxygen ordering in YBa2Cu3O6+x using Monte Carlo simulation and analytic theory

    DEFF Research Database (Denmark)

    Mønster, D.; Lindgård, Per-Anker; Andersen, N.H.

    2001-01-01

    We have simulated the phase diagram and structural properties of the oxygen ordering in YBa2Cu3O6+x testing simple extensions of the asymmetric next-nearest-neighbor Ising (ASYNNNI) Model. In a preliminary paper [Phys. Rev. B 60, 110 (1999)] we demonstrated that the inclusion of a single further...... on a nano scale into box-like domains and anti-domains of typical average dimension (10a,30b,2c). Theory and model simulations demonstrate that the distribution of such domains causes deviations from Lorentzian line shapes, and not the Porod effect. Analytic theory is used to estimate the effect of a range...... of values of the interaction parameters used, as well as the effect of an extension to include infinite ranged interactions. In the experiments a large cap is found between the onset temperatures of the ortho-I and ortho-II orders at x=0.5. This cannot be fully reproduced in the simulations. The simulations...

  2. Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems.

    Science.gov (United States)

    Freed, Karl F

    2009-02-14

    A new extension of the lattice cluster theory is developed to describe the influence of monomer structure and local correlations on the free energy of strongly interacting and self-assembling polymer systems. This extension combines a systematic high dimension (1/d) and high temperature expansion (that is appropriate for weakly interacting systems) with a direct treatment of strong interactions. The general theory is illustrated for a binary polymer blend whose two components contain "sticky" donor and acceptor groups, respectively. The free energy is determined as an explicit function of the donor-acceptor contact probabilities that depend, in turn, on the local structure and both the strong and weak interactions.

  3. Theory in social simulation: Status-Power theory, national culture and emergence of the glass ceiling

    NARCIS (Netherlands)

    Hofstede, G.J.

    2013-01-01

    This is a conceptual exploration of the work of some
    eminent social scientists thought to be amenable to agent-based
    modelling of social reality. Kemper’s status-power theory and
    Hofstede’s dimensions of national culture are the central
    theories. The article reviews empirical work on

  4. Deducing T, C, and P invariance for strong interactions in topological particle theory

    International Nuclear Information System (INIS)

    Jones, C.E.

    1985-01-01

    It is shown here how the separate discrete invariances [time reversal (T), charge conjugation (C), and parity (P)] in strong interactions can be deduced as consequences of other S-matrix requirements in topological particle theory

  5. Langevin equation in effective theory of interacting QCD pomerons in the limit of large Nc

    International Nuclear Information System (INIS)

    Bondarenko, S.

    2007-01-01

    Effective field theory of interacting BFKL pomerons is investigated and Langevin equation for the theory, which arises after the introduction of additional auxiliary field, is obtained. The Langevin equations are considered for the case of interacting BFKL pomerons with both splitting and merging vertexes and for the interaction which includes additional 'toy' four pomeron interaction vertex. In the latest case an analogy with the Regge field theory in zero dimensions (RFT-0) was used in order to obtain this 'toy' vertex, which coincided with the four point function of two-dimensional conformal field theory obtained in [G.P. Korchemsky, Nucl. Phys. B 550 (1999) 397]. The comparison between the Langevin equations obtained in the frameworks of dipole and RFT approaches is performed, the interpretation of results is given and possible application of obtained equations is discussed

  6. Group theory approach to unification of gravity with internal symmetry gauge interactions. Part 1

    International Nuclear Information System (INIS)

    Samokhvalov, S.E.; Vanyashin, V.S.

    1990-12-01

    The infinite group of deformed diffeomorphisms of space-time continuum is put into the basis of the Gauge Theory of Gravity. This gives rise to some new ways for unification of gravity with other gauge interactions. (author). 7 refs

  7. Positioning Theory and Discourse Analysis: Some Tools for Social Interaction Analysis

    Directory of Open Access Journals (Sweden)

    Francisco Tirado

    2007-05-01

    Full Text Available This article outlines positioning theory as a discursive analysis of interaction, focusing on the topic of conflict. Moreover, said theory is applied to a new work environment for the social sciences: virtual spaces. The analysis is organized in the following way. First, the major key psychosocial issues which define the topic of conflict are reviewed. Then, virtual environments are presented as a new work space for the social sciences. Thirdly, a synthesis of positioning theory and its FOUCAULTian legacy is conducted, while appreciating its particular appropriateness for analyzing conflictive interaction in virtual environments. An empiric case is then presented. This consists of an analysis of interactive sequences within a specific virtual environment: the Universitat Oberta de Catalunya (UOC Humanitats i Filologia Catalana studies forum. Through positioning theory, the production and effects that a conflictive interaction sequence has on the community in which it is produced are understood and explained. URN: urn:nbn:de:0114-fqs0702317

  8. Quadrupole interaction in ternary chalcopyrite semiconductors experiments and theory

    CERN Document Server

    Dietrich, M; Degering, D; Deicher, M; Kortus, J; Magerle, R; Möller, A; Samokhvalov, V; Unterricker, S; Vianden, R

    2000-01-01

    Electric field gradients have been measured at substitutional lattice sites in ternary semiconductors using perturbed gamma - gamma angular correlation spectroscopy. The experimental results for A/sup I/B/sup III/C/sub 2//sup VI/ chalcopyrite structure compounds and Square Operator A/sup II/B/sub 2//sup III/C/sub 4//sup VI/ defect chalcopyrites are compared with ab-initio calculations. The latter were carried out with the WIEN code that uses the full potential linearized augmented plane wave method within a density functional theory. The agreement between experiment and theory is in most cases very good. Furthermore, the anion displacements in AgGaX/sub 2/- compounds (X: S, Se, Te) have been determined theoretically by determining the minimum of the total energy of the electrons in an elementary cell. (20 refs).

  9. Novel hybrid optical correlator: theory and optical simulation.

    Science.gov (United States)

    Casasent, D; Herold, R L

    1975-02-01

    The inverse transform of the product of two Fourier transform holograms is analyzed and shown to contain the correlation of the two images from which the holograms were formed. The theory, analysis, and initial experimental demonstration of the feasibility of a novel correlation scheme using this multiplied Fourier transform hologram system are presented.

  10. Insights into Participants' Behaviours in Educational Games, Simulations and Workshops: A Catastrophe Theory Application to Motivation.

    Science.gov (United States)

    Cryer, Patricia

    1988-01-01

    Develops models for participants' behaviors in games, simulations, and workshops based on Catastrophe Theory and Herzberg's two-factor theory of motivation. Examples are given of how these models can be used, both for describing and understanding the behaviors of individuals, and for eliciting insights into why participants behave as they do. (11…

  11. Making Decisions about an Educational Game, Simulation or Workshop: A 'Game Theory' Perspective.

    Science.gov (United States)

    Cryer, Patricia

    1988-01-01

    Uses game theory to help practitioners make decisions about educational games, simulations, or workshops whose outcomes depend to some extent on chance. Highlights include principles for making decisions involving risk; elementary laws of probability; utility theory; and principles for making decisions involving uncertainty. (eight references)…

  12. Topics in gauge theories and unification of elementary particle interactions

    International Nuclear Information System (INIS)

    Srivastava, Y.N.; Vaughn, M.T.

    1986-01-01

    The proposed research includes work on (1) jets in minimum bias, (2) quantum Hall effect and applications of quantum electrodynamics to microelectronics and (3) renormalization group analysis of unified gauge theories. In addition, rates were computed for vector boson decay modes of the nucleon in N=1 supergravity models, and is doing further work on supersymmetric signals at SLC and LEP, and on superstring phenomenology

  13. Convergence of perturbation theory expansion for the Yukawa interaction

    International Nuclear Information System (INIS)

    Basuev, A.G.

    1975-01-01

    It is shown that the perturbation theory series in the translational-invariant case and upon removal of the boson propagator cut-off for euclidian Green's functions converges when gsup(2)/2 2 is the mass of the boson and Δ(o) is the fermion propagator in the zero of kappa-space. This problem was previously considered by other methods in respect of pseudo-euclidian functions (for the S-matrix) and of euclidian Green's functions. (author)

  14. New techniques and results for worldline simulations of lattice field theories

    Science.gov (United States)

    Giuliani, Mario; Orasch, Oliver; Gattringer, Christof

    2018-03-01

    We use the complex ø4 field at finite density as a model system for developing further techniques based on worldline formulations of lattice field theories. More specifically we: 1) Discuss new variants of the worm algorithm for updating the ø4 theory and related systems with site weights. 2) Explore the possibility of canonical simulations in the worldline formulation. 3) Study the connection of 2-particle condensation at low temperature to scattering parameters of the theory.

  15. The Density Functional Theory of Flies: Predicting distributions of interacting active organisms

    Science.gov (United States)

    Kinkhabwala, Yunus; Valderrama, Juan; Cohen, Itai; Arias, Tomas

    On October 2nd, 2016, 52 people were crushed in a stampede when a crowd panicked at a religious gathering in Ethiopia. The ability to predict the state of a crowd and whether it is susceptible to such transitions could help prevent such catastrophes. While current techniques such as agent based models can predict transitions in emergent behaviors of crowds, the assumptions used to describe the agents are often ad hoc and the simulations are computationally expensive making their application to real-time crowd prediction challenging. Here, we pursue an orthogonal approach and ask whether a reduced set of variables, such as the local densities, are sufficient to describe the state of a crowd. Inspired by the theoretical framework of Density Functional Theory, we have developed a system that uses only measurements of local densities to extract two independent crowd behavior functions: (1) preferences for locations and (2) interactions between individuals. With these two functions, we have accurately predicted how a model system of walking Drosophila melanogaster distributes itself in an arbitrary 2D environment. In addition, this density-based approach measures properties of the crowd from only observations of the crowd itself without any knowledge of the detailed interactions and thus it can make predictions about the resulting distributions of these flies in arbitrary environments, in real-time. This research was supported in part by ARO W911NF-16-1-0433.

  16. Modelling and simulation of dynamic wheel-rail interaction using a roller rig

    International Nuclear Information System (INIS)

    Anyakwo, A; Pislaru, C; Ball, A; Gu, F

    2012-01-01

    The interaction between the wheel and rail greatly influences the dynamic response of railway vehicles on the track. A roller rig facility can be used to study and monitor real time parameters that influence wheel-rail interaction such as wear, adhesion, friction and corrugation without actual field tests being carried out. This paper presents the development of the mathematical models for full scale roller rig and 1/5 scale roller rig and the wear prediction model based on KTH wear function. The simulated critical speed for the 1/5 scale roller rig is about one-fifth of the critical speed for the full scale model so the simulated results compare well with the theory related to wheel-rail contact and dynamics. Also the differences between the simulated rolling radii for the full scale model with and without wear function are analysed. This paper presents the initial stage of a large scale research project where the influence of wear on the wheel-rail performance will be studied in more depth.

  17. Beam equipment electromagnetic interaction in accelerators: simulation and experimental benchmarking

    CERN Document Server

    Passarelli, Andrea; Vaccaro, Vittorio Giorgio; Massa, Rita; Masullo, Maria Rosaria

    One of the most significant technological problems to achieve the nominal performances in the Large Hadron Collider (LHC) concerns the system of collimation of particle beams. The use of collimators crystals, exploiting the channeling effect on extracted beam, has been experimentally demonstrated. The first part of this thesis is about the optimization of UA9 goniometer at CERN, this device used for beam collimation will replace a part of the vacuum chamber. The optimization process, however, requires the calculation of the coupling impedance between the circulating beam and this structure in order to define the threshold of admissible intensity to do not trigger instability processes. Simulations have been performed with electromagnetic codes to evaluate the coupling impedance and to assess the beam-structure interaction. The results clearly showed that the most concerned resonance frequencies are due solely to the open cavity to the compartment of the motors and position sensors considering the crystal in o...

  18. Software Design for Interactive Graphic Radiation Treatment Simulation Systems*

    Science.gov (United States)

    Kalet, Ira J.; Sweeney, Christine; Jacky, Jonathan

    1990-01-01

    We examine issues in the design of interactive computer graphic simulation programs for radiation treatment planning (RTP), as well as expert system programs that automate parts of the RTP process, in light of ten years of experience at designing, building and using such programs. An experiment in object-oriented design using standard Pascal shows that while some advantage is gained from the design, it is still difficult to achieve modularity and to integrate expert system components. A new design based on the Common LISP Object System (CLOS) is described. This series of designs for RTP software shows that this application benefits in specific ways from object-oriented design methods and appropriate languages and tools.

  19. Theory and simulations of electron vortices generated by magnetic pushing

    Energy Technology Data Exchange (ETDEWEB)

    Richardson, A. S.; Angus, J. R.; Swanekamp, S. B.; Schumer, J. W. [Plasma Physics Division, Naval Research Laboratory, Washington, DC 20375 (United States); Ottinger, P. F. [An Independent Consultant through ENGILITY, Chantilly, Virginia 20151 (United States)

    2013-08-15

    Vortex formation and propagation are observed in kinetic particle-in-cell (PIC) simulations of magnetic pushing in the plasma opening switch. These vortices are studied here within the electron-magnetohydrodynamic (EMHD) approximation using detailed analytical modeling. PIC simulations of these vortices have also been performed. Strong v×B forces in the vortices give rise to significant charge separation, which necessitates the use of the EMHD approximation in which ions are fixed and the electrons are treated as a fluid. A semi-analytic model of the vortex structure is derived, and then used as an initial condition for PIC simulations. Density-gradient-dependent vortex propagation is then examined using a series of PIC simulations. It is found that the vortex propagation speed is proportional to the Hall speed v{sub Hall}≡cB{sub 0}/4πn{sub e}eL{sub n}. When ions are allowed to move, PIC simulations show that the electric field in the vortex can accelerate plasma ions, which leads to dissipation of the vortex. This electric field contributes to the separation of ion species that has been observed to occur in pulsed-power experiments with a plasma-opening switch.

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

    Science.gov (United States)

    Moorer, Cleamon, Jr.

    2014-01-01

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

  1. Elements of a theory for multiparton interactions in QCD

    International Nuclear Information System (INIS)

    Diehl, Markus; Ostermeier, Daniel; Schaefer, Andreas

    2011-11-01

    We perform a detailed investigation of multiple hard interactions in hadronhadron collisions. We discuss the space-time, spin and color structure of multiple interactions, classify different contributions according to their power behavior and provide several elements required for establishing all-order factorization. This also allows us to analyze the structure of Sudakov logarithms in double hard scattering. We show how multiparton distributions can be constrained by lattice calculations, by connecting them with generalized parton distributions, and by calculating their behavior at large transverse parton momenta. (orig.)

  2. Elements of a theory for multiparton interactions in QCD

    Energy Technology Data Exchange (ETDEWEB)

    Diehl, Markus [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Ostermeier, Daniel; Schaefer, Andreas [Regensburg Univ. (Germany). Institut fuer Theoretische Physik

    2011-11-15

    We perform a detailed investigation of multiple hard interactions in hadronhadron collisions. We discuss the space-time, spin and color structure of multiple interactions, classify different contributions according to their power behavior and provide several elements required for establishing all-order factorization. This also allows us to analyze the structure of Sudakov logarithms in double hard scattering. We show how multiparton distributions can be constrained by lattice calculations, by connecting them with generalized parton distributions, and by calculating their behavior at large transverse parton momenta. (orig.)

  3. Mathematical models and methods of localized interaction theory

    CERN Document Server

    Bunimovich, AI

    1995-01-01

    The interaction of the environment with a moving body is called "localized" if it has been found or assumed that the force or/and thermal influence of the environment on each body surface point is independent and can be determined by the local geometrical and kinematical characteristics of this point as well as by the parameters of the environment and body-environment interactions which are the same for the whole surface of contact.Such models are widespread in aerodynamics and gas dynamics, covering supersonic and hypersonic flows, and rarefied gas flows. They describe the influence of light

  4. Smart modeling and simulation for complex systems practice and theory

    CERN Document Server

    Ren, Fenghui; Zhang, Minjie; Ito, Takayuki; Tang, Xijin

    2015-01-01

    This book aims to provide a description of these new Artificial Intelligence technologies and approaches to the modeling and simulation of complex systems, as well as an overview of the latest scientific efforts in this field such as the platforms and/or the software tools for smart modeling and simulating complex systems. These tasks are difficult to accomplish using traditional computational approaches due to the complex relationships of components and distributed features of resources, as well as the dynamic work environments. In order to effectively model the complex systems, intelligent technologies such as multi-agent systems and smart grids are employed to model and simulate the complex systems in the areas of ecosystem, social and economic organization, web-based grid service, transportation systems, power systems and evacuation systems.

  5. Brownian dynamics simulations of polyelectrolyte adsorption in shear flow with hydrodynamic interaction

    Science.gov (United States)

    Hoda, Nazish; Kumar, Satish

    2007-12-01

    The adsorption of single polyelectrolyte molecules in shear flow is studied using Brownian dynamics simulations with hydrodynamic interaction (HI). Simulations are performed with bead-rod and bead-spring chains, and electrostatic interactions are incorporated through a screened Coulombic potential with excluded volume accounted for by the repulsive part of a Lennard-Jones potential. A correction to the Rotne-Prager-Yamakawa tensor is derived that accounts for the presence of a planar wall. The simulations show that migration away from an uncharged wall, which is due to bead-wall HI, is enhanced by increases in the strength of flow and intrachain electrostatic repulsion, consistent with kinetic theory predictions. When the wall and polyelectrolyte are oppositely charged, chain behavior depends on the strength of electrostatic screening. For strong screening, chains get depleted from a region close to the wall and the thickness of this depletion layer scales as N1/3Wi2/3 at high Wi, where N is the chain length and Wi is the Weissenberg number. At intermediate screening, bead-wall electrostatic attraction competes with bead-wall HI, and it is found that there is a critical Weissenberg number for desorption which scales as N-1/2κ-3(lB∣σq∣)3/2, where κ is the inverse screening length, lB is the Bjerrum length, σ is the surface charge density, and q is the bead charge. When the screening is weak, adsorbed chains are observed to align in the vorticity direction at low shear rates due to the effects of repulsive intramolecular interactions. At higher shear rates, the chains align in the flow direction. The simulation method and results of this work are expected to be useful for a number of applications in biophysics and materials science in which polyelectrolyte adsorption plays a key role.

  6. Interactive Media and Simulation Tools for Technical Training

    Science.gov (United States)

    Gramoll, Kurt

    1997-01-01

    Over the last several years, integration of multiple media sources into a single information system has been rapidly developing. It has been found that when sound, graphics, text, animations, and simulations are skillfully integrated, the sum of the parts exceeds the individual parts for effective learning. In addition, simulations can be used to design and understand complex engineering processes. With the recent introduction of many high-level authoring, animation, modeling, and rendering programs for personal computers, significant multimedia programs can be developed by practicing engineers, scientists and even managers for both training and education. However, even with these new tools, a considerable amount of time is required to produce an interactive multimedia program. The development of both CD-ROM and Web-based programs are discussed in addition to the use of technically oriented animations. Also examined are various multimedia development tools and how they are used to develop effective engineering education courseware. Demonstrations of actual programs in engineering mechanics are shown.

  7. Enhancing food engineering education with interactive web-based simulations

    Directory of Open Access Journals (Sweden)

    Alexandros Koulouris

    2015-04-01

    Full Text Available In the traditional deductive approach in teaching any engineering topic, teachers would first expose students to the derivation of the equations that govern the behavior of a physical system and then demonstrate the use of equations through a limited number of textbook examples. This methodology, however, is rarely adequate to unmask the cause-effect and quantitative relationships between the system variables that the equations embody. Web-based simulation, which is the integration of simulation and internet technologies, has the potential to enhance the learning experience by offering an interactive and easily accessible platform for quick and effortless experimentation with physical phenomena.This paper presents the design and development of a web-based platform for teaching basic food engineering phenomena to food technology students. The platform contains a variety of modules (“virtual experiments” covering the topics of mass and energy balances, fluid mechanics and heat transfer. In this paper, the design and development of three modules for mass balances and heat transfer is presented. Each webpage representing an educational module has the following features: visualization of the studied phenomenon through graphs, charts or videos, computation through a mathematical model and experimentation.  The student is allowed to edit key parameters of the phenomenon and observe the effect of these changes on the outputs. Experimentation can be done in a free or guided fashion with a set of prefabricated examples that students can run and self-test their knowledge by answering multiple-choice questions.

  8. Effective interactions for self-energy. I. Theory

    International Nuclear Information System (INIS)

    Ng, T.K.; Singwi, K.S.

    1986-01-01

    A systematic way of deriving effective interactions for self-energy calculations in Fermi-liquid systems is presented. The self-energy expression contains effects of density and spin fluctuations and also multiple scattering between particles. Results for arbitrarily polarized one-component Fermi-liquid systems and unpolarized two-component systems are explicitly given

  9. Strong Interactive Massive Particles from a Strong Coupled Theory

    DEFF Research Database (Denmark)

    Yu. Khlopov, Maxim; Kouvaris, Christoforos

    2008-01-01

    (-2). These excessive techniparticles are all captured by $^4He$, creating \\emph{techni-O-helium} $tOHe$ ``atoms'', as soon as $^4He$ is formed in Big Bang Nucleosynthesis. The interaction of techni-O-helium with nuclei opens new paths to the creation of heavy nuclei in Big Bang Nucleosynthesis. Due...

  10. Global simulation of interactions between groundwater and terrestrial ecosystems

    Science.gov (United States)

    Braakhekke, M. C.; Rebel, K.; Dekker, S. C.; Smith, B.; Van Beek, L. P.; Sutanudjaja, E.; van Kampenhout, L.; Wassen, M. J.

    2016-12-01

    In many places in the world ecosystems are influenced by the presence of a shallow groundwater table. In these regions upward water flux due to capillary rise increases soil moisture availability in the root zone, which has strong positive effect on evapotranspiration. Additionally it has important consequences for vegetation dynamics and fluxes of carbon and nitrogen. Under water limited conditions shallow groundwater stimulates vegetation productivity, and soil organic matter decomposition while under saturated conditions groundwater may have a negative effect on these processes due to lack of oxygen. Furthermore, since plant species differ with respect to their root distribution, preference for moisture conditions, and resistance to oxygen stress, shallow groundwater also influences vegetation type. Finally, processes such as denitrification and methane production occur under strictly anaerobic conditions and are thus strongly influenced by moisture availability. Most global hydrological models and several land surface models simulate groundwater table dynamics and their effects on land surface processes. However, these models typically have relatively simplistic representation of vegetation and do not consider changes in vegetation type and structure and are therefore less suitable to represent effects of groundwater on biogeochemical fluxes. Dynamic global vegetation models (DGVMs), describe land surface from an ecological perspective, combining detailed description of vegetation dynamics and structure and biogeochemical processes. These models are thus more appropriate to simulate the ecological and biogeochemical effects of groundwater interactions. However, currently virtually all DGVMs ignore these effects, assuming that water tables are too deep to affect soil moisture in the root zone. We have implemented a tight coupling between the dynamic global ecosystem model LPJ-GUESS and the global hydrological model PCR-GLOBWB. Using this coupled model we aim to

  11. Simulating market dynamics: interactions between consumer psychology and social networks.

    Science.gov (United States)

    Janssen, Marco A; Jager, Wander

    2003-01-01

    Markets can show different types of dynamics, from quiet markets dominated by one or a few products, to markets with continual penetration of new and reintroduced products. In a previous article we explored the dynamics of markets from a psychological perspective using a multi-agent simulation model. The main results indicated that the behavioral rules dominating the artificial consumer's decision making determine the resulting market dynamics, such as fashions, lock-in, and unstable renewal. Results also show the importance of psychological variables like social networks, preferences, and the need for identity to explain the dynamics of markets. In this article we extend this work in two directions. First, we will focus on a more systematic investigation of the effects of different network structures. The previous article was based on Watts and Strogatz's approach, which describes the small-world and clustering characteristics in networks. More recent research demonstrated that many large networks display a scale-free power-law distribution for node connectivity. In terms of market dynamics this may imply that a small proportion of consumers may have an exceptional influence on the consumptive behavior of others (hubs, or early adapters). We show that market dynamics is a self-organized property depending on the interaction between the agents' decision-making process (heuristics), the product characteristics (degree of satisfaction of unit of consumption, visibility), and the structure of interactions between agents (size of network and hubs in a social network).

  12. Numerical Simulation of Wind Turbine Blade-Tower Interaction

    Institute of Scientific and Technical Information of China (English)

    Qiang Wang; Hu Zhou; Decheng Wan

    2012-01-01

    Numerical simulations of wind turbine blade-tower interaction by using the open source OpenFOAM tools coupled with arbitrary mesh interface (AMI) method were presented.The governing equations were the unsteady Reynolds-averaged Navier-Stokes (PANS) which were solved by the pimpleDyMFoam solver,and the AMI method was employed to handle mesh movements.The National Renewable Energy Laboratory (NREL) phase Ⅵ wind turbine in upwind configuration was selected for numerical tests with different incoming wind speeds (5,10,15,and 25 m/s) at a fixed blade pitch and constant rotational speed.Detailed numerical results of vortex structure,time histories of thrust,and pressure distribution on the blade and tower were presented.The findings show that the wind turbine tower has little effect on the whole aerodynamic performance of an upwind wind turbine,while the rotating rotor will induce an obvious cyclic drop in the front pressure of the tower.Also,strong interaction of blade tip vortices with separation from the tower was observed.

  13. Scattering theory for explicitely time-dependent interactions

    International Nuclear Information System (INIS)

    Perusch, M.

    1982-01-01

    Multiple ionization of hydrogen atoms has got increased attention in recent years in connection with high-power lasers. Due to the strong external electromagnetic fields, perturbation theory is no longer valid. The expression for the multiple ionization probability contains the projections of the time-dependent Hamilton operators and the Moeller operators. The main point of the present work is a proof of existence and completeness of the Moeller operators. The proof of existence and completeness is given. The final chapter contains a physical interpretation and discussion of the multiple ionization probability. (G.Q.)

  14. Theory, simulation, and experimental studies of zonal flows

    International Nuclear Information System (INIS)

    Hahm, T. S.; Burrell, K.H.; Lin, Z.; Nazikian, R.; Synakowski, E.J.

    2000-01-01

    The authors report on current theoretical understanding of the characteristics of self-generated zonal flows as observed in nonlinear gyrokinetic simulations of toroidal ITG turbulence [Science 281, 1835 (1998)], and discuss various possibilities for experimental measurements of signature of zonal flows

  15. Towards an understanding of the attributes of simulation that enable learning in undergraduate nurse education: A grounded theory study.

    Science.gov (United States)

    Bland, Andrew J; Tobbell, Jane

    2016-09-01

    Simulation has become an established feature of nurse education yet little is understood about the mechanisms that lead to learning. To explore the attributes of simulation-based education that enable student learning in undergraduate nurse education. Final year students drawn from one UK University (n=46) participated in a grounded theory study. First, nonparticipant observation and video recording of student activity was undertaken. Following initial analysis, recordings and observations were deconstructed during focus group interviews that enabled both the researcher and participants to unpack meaning. Lastly emergent findings were verified with final year students drawn from a second UK University (n=6). A staged approach to learning emerged from engagement in simulation. This began with initial hesitation as students moved through nonlinear stages to making connections and thinking like a nurse. Core findings suggest that simulation enables curiosity and intellect (main concern) through doing (core category) and interaction with others identified as social collaboration (category). This study offers a theoretical basis for understanding simulation-based education and integration of strategies that maximise the potential for learning. Additionally it offers direction for further research, particularly with regards to how the application of theory to practice is accelerated through learning by doing and working collaboratively. Copyright © 2016 Elsevier Ltd. All rights reserved.

  16. Simulation of the dynamics of laser-cluster interaction

    International Nuclear Information System (INIS)

    Deiss, C.

    2009-01-01

    Ranging in size from a few atoms to several million atoms, clusters form a link between gases and solids. When irradiating clusters with intense femtosecond laser pulses, the production of energetic and highly charged ions, hot electrons, and extreme UV and X-ray photons, gives evidence of a very efficient energy conversion. The size of the system and the multitude of mechanisms at play provide a considerable challenge for the theoretical treatment of the interaction. In this thesis, we have developed a Classical Trajectory Monte Carlo simulation that gives insight into the particle dynamics during the interaction of laser pulses with large argon clusters (with more than 10000 atoms per cluster). Elastic electron-ion scattering, electron-electron scattering, electron-impact ionization and excitation, as well as three-body recombination and Auger decay are included via stochastic events. In a strongly simplified picture, the dynamics of the laser-cluster interaction can be summarized as follows: the intense laser field ionizes the cluster atoms and drives the population of quasi-free electrons. In collision events, further free electrons and high ionic charge states are created. As some electrons leave the cluster, the ions feel a net positive charge, and the cluster ultimately disintegrates in a Coulomb explosion. Even at moderate laser intensities (approx. 10 15 W/cm 2 ), impact ionization produces inner-shell vacancies in the cluster ions that decay by emitting characteristic X-ray radiation. The small population of fast electrons responsible for these ionization events is produced near the cluster poles, where the combination of polarization and charging of the cluster leads to strongly enhanced field strengths. We achieve a good agreement over large parameter ranges between the simulation and X-ray spectroscopy experiments. We also investigate the dependence of X-ray emission on laser intensity, pulse duration and cluster size. We find that in order to

  17. Interacting holographic dark energy in Brans-Dicke theory

    International Nuclear Information System (INIS)

    Sheykhi, Ahmad

    2009-01-01

    We study cosmological application of interacting holographic energy density in the framework of Brans-Dicke cosmology. We obtain the equation of state and the deceleration parameter of the holographic dark energy in a non-flat universe. As system's IR cutoff we choose the radius of the event horizon measured on the sphere of the horizon, defined as L=ar(t). We find that the combination of Brans-Dicke field and holographic dark energy can accommodate w D =-1 crossing for the equation of state of noninteracting holographic dark energy. When an interaction between dark energy and dark matter is taken into account, the transition of w D to phantom regime can be more easily accounted for than when resort to the Einstein field equations is made.

  18. Theory of nuclear quadrupole interactions in solid hydrogen fluoride

    International Nuclear Information System (INIS)

    Mohamed, N.S.; Sahoo, N.; Das, T.P.; Kelires, P.C.

    1990-01-01

    The nuclear quadrupole interaction of 19 F * (I=5/2) nucleus in solid hydrogen fluoride has been studied using the Hartree Fock cluster technique to understand the influence of both intrachain hydrogen bonding effects and the weak interchain interaction. On the basis of our investigations, the 34.04 MHz coupling constant observed by TDPAD measurements has been ascribed to the bulk solid while the observed 40.13 MHz coupling constant is suggested as arising from a small two- or three-molecule cluster produced during the proton irradiation process. Two alternate explanations are offered for the origin of coupling constants close to 40 MHz in a number of solid hydrocarbons containing hydrogen and fluorine ligands. (orig.)

  19. Interactions In Online Education Implications For Theory & Practice

    OpenAIRE

    Askim KURT

    2007-01-01

    This book was edited by, Charles Juwah, Senior EducationDevelopment Officer at Robert Gordon University, where heruns the postgraduate learning and teaching qualificationcourse. It was published by Routledge in 2006.Interaction is very important in open and flexible learning,and apparent at all levels of engagement, whether betweenstudents, students and tutors, online learning materials orinterfacing with the learning environment. A student whoactively engages with learning materials, interac...

  20. Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations.

    Science.gov (United States)

    Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume

    2018-01-16

    With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading

  1. Exploiting visual search theory to infer social interactions

    Science.gov (United States)

    Rota, Paolo; Dang-Nguyen, Duc-Tien; Conci, Nicola; Sebe, Nicu

    2013-03-01

    In this paper we propose a new method to infer human social interactions using typical techniques adopted in literature for visual search and information retrieval. The main piece of information we use to discriminate among different types of interactions is provided by proxemics cues acquired by a tracker, and used to distinguish between intentional and casual interactions. The proxemics information has been acquired through the analysis of two different metrics: on the one hand we observe the current distance between subjects, and on the other hand we measure the O-space synergy between subjects. The obtained values are taken at every time step over a temporal sliding window, and processed in the Discrete Fourier Transform (DFT) domain. The features are eventually merged into an unique array, and clustered using the K-means algorithm. The clusters are reorganized using a second larger temporal window into a Bag Of Words framework, so as to build the feature vector that will feed the SVM classifier.

  2. Polymorphic phase transitions: Macroscopic theory and molecular simulation.

    Science.gov (United States)

    Anwar, Jamshed; Zahn, Dirk

    2017-08-01

    Transformations in the solid state are of considerable interest, both for fundamental reasons and because they underpin important technological applications. The interest spans a wide spectrum of disciplines and application domains. For pharmaceuticals, a common issue is unexpected polymorphic transformation of the drug or excipient during processing or on storage, which can result in product failure. A more ambitious goal is that of exploiting the advantages of metastable polymorphs (e.g. higher solubility and dissolution rate) while ensuring their stability with respect to solid state transformation. To address these issues and to advance technology, there is an urgent need for significant insights that can only come from a detailed molecular level understanding of the involved processes. Whilst experimental approaches at best yield time- and space-averaged structural information, molecular simulation offers unprecedented, time-resolved molecular-level resolution of the processes taking place. This review aims to provide a comprehensive and critical account of state-of-the-art methods for modelling polymorph stability and transitions between solid phases. This is flanked by revisiting the associated macroscopic theoretical framework for phase transitions, including their classification, proposed molecular mechanisms, and kinetics. The simulation methods are presented in tutorial form, focusing on their application to phase transition phenomena. We describe molecular simulation studies for crystal structure prediction and polymorph screening, phase coexistence and phase diagrams, simulations of crystal-crystal transitions of various types (displacive/martensitic, reconstructive and diffusive), effects of defects, and phase stability and transitions at the nanoscale. Our selection of literature is intended to illustrate significant insights, concepts and understanding, as well as the current scope of using molecular simulations for understanding polymorphic

  3. Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions.

    Science.gov (United States)

    Fischer, Nina M; van Maaren, Paul J; Ditz, Jonas C; Yildirim, Ahmet; van der Spoel, David

    2015-07-14

    In order to increase the accuracy of classical computer simulations, existing methodologies may need to be adapted. Hitherto, most force fields employ a truncated potential function to model van der Waals interactions, sometimes augmented with an analytical correction. Although such corrections are accurate for homogeneous systems with a long cutoff, they should not be used in inherently inhomogeneous systems such as biomolecular and interface systems. For such cases, a variant of the particle mesh Ewald algorithm (Lennard-Jones PME) was already proposed 20 years ago (Essmann et al. J. Chem. Phys. 1995, 103, 8577-8593), but it was implemented only recently (Wennberg et al. J. Chem. Theory Comput. 2013, 9, 3527-3537) in a major simulation code (GROMACS). The availability of this method allows surface tensions of liquids as well as bulk properties to be established, such as density and enthalpy of vaporization, without approximations due to truncation. Here, we report on simulations of ≈150 liquids (taken from a force field benchmark: Caleman et al. J. Chem. Theory Comput. 2012, 8, 61-74) using three different force fields and compare simulations with and without explicit long-range van der Waals interactions. We find that the density and enthalpy of vaporization increase for most liquids using the generalized Amber force field (GAFF, Wang et al. J. Comput. Chem. 2004, 25, 1157-1174) and the Charmm generalized force field (CGenFF, Vanommeslaeghe et al. J. Comput. Chem. 2010, 31, 671-690) but less so for OPLS/AA (Jorgensen and Tirado-Rives, Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 6665-6670), which was parametrized with an analytical correction to the van der Waals potential. The surface tension increases by ≈10(-2) N/m for all force fields. These results suggest that van der Waals attractions in force fields are too strong, in particular for the GAFF and CGenFF. In addition to the simulation results, we introduce a new version of a web server, http

  4. Classical density functional theory and Monte Carlo simulation study of electric double layer in the vicinity of a cylindrical electrode

    Science.gov (United States)

    Zhou, Shiqi; Lamperski, Stanisław; Sokołowska, Marta

    2017-07-01

    We have performed extensive Monte-Carlo simulations and classical density functional theory (DFT) calculations of the electrical double layer (EDL) near a cylindrical electrode in a primitive model (PM) modified by incorporating interionic dispersion interactions. It is concluded that (i) in general, an unsophisticated use of the mean field (MF) approximation for the interionic dispersion interactions does not distinctly worsen the classical DFT performance, even if the salt ions considered are highly asymmetrical in size (3:1) and charge (5:1), the bulk molar concentration considered is high up to a total bulk ion packing fraction of 0.314, and the surface charge density of up to 0.5 C m-2. (ii) More specifically, considering the possible noises in the simulation, the local volume charge density profiles are the most accurately predicted by the classical DFT in all situations, and the co- and counter-ion singlet distributions are also rather accurately predicted; whereas the mean electrostatic potential profile is relatively less accurately predicted due to an integral amplification of minor inaccuracy of the singlet distributions. (iii) It is found that the layered structure of the co-ion distribution is abnormally possible only if the surface charge density is high enough (for example 0.5 C m-2) moreover, the co-ion valence abnormally influences the peak height of the first counter-ion layer, which decreases with the former. (iv) Even if both the simulation and DFT indicate an insignificant contribution of the interionic dispersion interaction to the above three ‘local’ quantities, it is clearly shown by the classical DFT that the interionic dispersion interaction does significantly influence a ‘global’ quantity like the cylinder surface-aqueous electrolyte interfacial tension, and this may imply the role of the interionic dispersion interaction in explaining the specific Hofmeister effects. We elucidate all of the above observations based on the

  5. Theory of mind in Alzheimer disease: Evidence of authentic impairment during social interaction.

    Science.gov (United States)

    Moreau, Noémie; Rauzy, Stéphane; Viallet, François; Champagne-Lavau, Maud

    2016-03-01

    The present study aimed to investigate theory of mind (the ability to infer others' mental states) deficit in 20 patients with mild Alzheimer's disease and 20 healthy controls, with 2 theory of mind tasks, 1 of them being a real interactive task. Previous results concerning preserved or altered theory of mind abilities in Alzheimer's disease have been inconsistent and relationships with other cognitive dysfunctions (notably episodic memory and executive functions) are still unclear. The first task we used was a false belief paradigm as frequently used in literature whereas the second task, a referential communication task, assessed theory of mind in a real situation of interaction. Participants also underwent neuropsychological evaluation to investigate potential relationships between theory of mind and memory deficits. The results showed that Alzheimer patients presented a genuine and significant theory of mind deficit compared to control participants characterized notably by difficulties to attribute knowledge to an interlocutor in a real social interaction. These results further confirm that theory of mind is altered in early stages of Alzheimer dementia which is consistent with previous works. More specifically, this study is the first to objectivize this impairment in social interaction. (c) 2016 APA, all rights reserved).

  6. Application of the RISM theory to Lennard-Jones interaction site molecular fluids

    International Nuclear Information System (INIS)

    Johnson, E.; Hazoume, R.P.

    1979-01-01

    It seems that reference interaction site model (RISM) theory atom--atom distribution functions have been obtained directly from the RISM equations only for fused hard sphere molecular fluids. RISM distribution functions for Lennard-Jones interaction site fluids are presented. Results presented suggest that these distribution functions are as accurate as RISM distribution functions for fused hard sphere molecular fluids

  7. Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

    International Nuclear Information System (INIS)

    Cauchy, Thomas; Ruiz, Eliseo; Alvarez, Santiago

    2006-01-01

    Theoretical methods based on density functional theory have been employed to analyze the exchange interactions in an Fe 6 complex. The calculated exchange coupling constants are consistent with an S=5 ground state and agree well with those reported previously for other Fe III polynuclear complexes. Ferromagnetic interactions may appear through exchange pathways formed by two bridging hydroxo or oxo ligands

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

    Science.gov (United States)

    Fenwick, Tara; Dahlgren, Madeleine Abrandt

    2015-04-01

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

  9. Repetitive control of an electrostatic microbridge actuator: theory and simulation

    International Nuclear Information System (INIS)

    Zhao, Haiyu; Rahn, Christopher D

    2010-01-01

    Electrostatic microactuators are used extensively in MEMS sensors, RF switches and microfluidic pumps. The high bandwidth operation required by these applications complicates the implementation of feedback controllers. This paper designs, proves stability and simulates a feedforward repetitive controller for an electrostatic microbridge. High residual stress creates tension in the microbridge that dominates bending stiffness so a pinned string model with uniform electrostatic force loading is used for model-based control. The control objective is to force the microbridge displacement to follow prescribed spatial and periodic time trajectories. Viscous damping ensures boundedness of the distributed transverse displacement in response to bounded inputs. The average displacement is measured by capacitive sensing and processed offline using a repetitive control algorithm that updates a high speed waveform generator's parameters. Simulations show that the performance depends on the amount of damping. With less than 1% damping in a representative microbridge structure, repetitive control reduces the midspan displacement overshoot by 83%

  10. Kinetic Theory and Simulation of Single-Channel Water Transport

    Science.gov (United States)

    Tajkhorshid, Emad; Zhu, Fangqiang; Schulten, Klaus

    Water translocation between various compartments of a system is a fundamental process in biology of all living cells and in a wide variety of technological problems. The process is of interest in different fields of physiology, physical chemistry, and physics, and many scientists have tried to describe the process through physical models. Owing to advances in computer simulation of molecular processes at an atomic level, water transport has been studied in a variety of molecular systems ranging from biological water channels to artificial nanotubes. While simulations have successfully described various kinetic aspects of water transport, offering a simple, unified model to describe trans-channel translocation of water turned out to be a nontrivial task.

  11. Defects and diffusion, theory and simulation an annual retrospective I

    CERN Document Server

    Fisher, David J

    2009-01-01

    This first volume, in a new series covering entirely general results in the fields of defects and diffusion, includes abstracts of papers which appeared between the beginning of 2008 and the end of October 2009 (journal availability permitting).This new series replaces the 'general' section which was previously part of each issue of the Metals, Ceramics and Semiconductor retrospective series. As well as 356 abstracts, the volume includes original papers on all of the usual material groups: ""Predicting Diffusion Coefficients from First Principles via Eyring's Reaction Rate Theory"" (Mantina, C

  12. Becoming who you are: An integrative review of self-determination theory and personality systems interactions theory.

    Science.gov (United States)

    Koole, Sander L; Schlinkert, Caroline; Maldei, Tobias; Baumann, Nicola

    2018-03-10

    One of the enduring missions of personality science is to unravel what it takes to become a fully functioning person. In the present article, the authors address this matter from the perspectives of self-determination theory (SDT) and personality systems interactions (PSI) theory. SDT (a) is rooted in humanistic psychology; (b) has emphasized a first-person perspective on motivation and personality; (c) posits that the person, supported by the social environment, naturally moves toward growth through the satisfaction of basic psychological needs for autonomy, competence, and relatedness. PSI theory (a) is rooted in German volition psychology; (b) has emphasized a third-person perspective on motivation and personality; and (c) posits that a fully functioning person can form and enact difficult intentions and integrate new experiences, and that such competencies are facilitated by affect regulation. The authors review empirical support for SDT and PSI theory, their convergences and divergences, and how the theories bear on recent empirical research on internalization, vitality, and achievement flow. The authors conclude that SDT and PSI theory offer complementary insights into developing a person's full potential. © 2018 The Authors. Journal of Personality Published by Wiley Periodicals, Inc.

  13. A Unified Theory of Interaction: Gravitation and Electrodynamics

    Directory of Open Access Journals (Sweden)

    Wagener P.

    2008-10-01

    Full Text Available A theory is proposed from which the basic equations of gravitation and electromagnetism are derived from a single Lagrangian. The total energy of an atom can be expressed in a power series of the fine structure constant, $alpha$. Specific selections of these terms yield the relativistic correction to the Bohr values of the hydrogen spectrum and the Sommerfeld-Dirac equation for the fine structure spectrum of the hydrogen atom. Expressions for the classical electron radius and some of the Large Number Coincidences are derived. A Lorentz-type force equation is derived for both gravitation and electrodynamics. Electron spin is shown to be an effect of fourth order in $alpha$.

  14. Ab initio theory of magnetic interactions at surfaces

    International Nuclear Information System (INIS)

    Sousa, C; Graaf, C de; Lopez, N; Harrison, N M; Illas, F

    2004-01-01

    The low to high spin energy transition of Ni adsorbed on regular and defective sites of MgO(100) and the relative strengths of bulk and surface magnetic coupling constants of first row transition metal oxides (MnO, FeO, CoO, NiO and CuO) are taken as examples to illustrate some deficiencies of density functional theory (DFT). For these ionic systems a cluster/periodic comparison within the same computational method (either DFT or Hartree-Fock) is used to establish that embedded cluster models provide an adequate representation. The cluster model approach is then used to obtain accurate values for the magnetic properties of interest by using explicitly correlated wavefunction methods which handle the electronic open shell rigorously as spin eigenfunctions

  15. Ab initio theory of magnetic interactions at surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sousa, C [Departament de Quimica Fisica i Centre de Recerca en Quimica Teorica, Universitat de Barcelona i Parc Cientific de Barcelona, C/ MartI i Franques 1, E-08028 Barcelona (Spain); Graaf, C de [Departament de Quimica Fisica i Inorganica, Universitat Rovira i Virgili, P. Imperial Tarraco 1, E-43005 Tarragona (Spain); Lopez, N [Departament de Quimica Fisica i Centre de Recerca en Quimica Teorica, Universitat de Barcelona i Parc Cientific de Barcelona, C/ Marti i Franques 1, E-08028 Barcelona (Spain); Harrison, N M [Department of Chemistry, Imperial College of Science, Technology and Medicine, London SW7 2AY (United Kingdom); Illas, F [Departament de Quimica Fisica i Centre de Recerca en Quimica Teorica, Universitat de Barcelona i Parc Cientific de Barcelona, C/ Marti i Franques 1, E-08028 Barcelona (Spain)

    2004-07-07

    The low to high spin energy transition of Ni adsorbed on regular and defective sites of MgO(100) and the relative strengths of bulk and surface magnetic coupling constants of first row transition metal oxides (MnO, FeO, CoO, NiO and CuO) are taken as examples to illustrate some deficiencies of density functional theory (DFT). For these ionic systems a cluster/periodic comparison within the same computational method (either DFT or Hartree-Fock) is used to establish that embedded cluster models provide an adequate representation. The cluster model approach is then used to obtain accurate values for the magnetic properties of interest by using explicitly correlated wavefunction methods which handle the electronic open shell rigorously as spin eigenfunctions.

  16. Formation of Plasma Around a Small Meteoroid: Simulation and Theory

    Science.gov (United States)

    Sugar, G.; Oppenheim, M. M.; Dimant, Y. S.; Close, S.

    2018-05-01

    High-power large-aperture radars detect meteors by reflecting radio waves off dense plasma that surrounds a hypersonic meteoroid as it ablates in the Earth's atmosphere. If the plasma density profile around the meteoroid is known, the plasma's radar cross section can be used to estimate meteoroid properties such as mass, density, and composition. This paper presents head echo plasma density distributions obtained via two numerical simulations of a small ablating meteoroid and compares the results to an analytical solution found in Dimant and Oppenheim (2017a, https://doi.org/10.1002/2017JA023960, 2017b, https://doi.org/10.1002/2017JA023963). The first simulation allows ablated meteoroid particles to experience only a single collision to match an assumption in the analytical solution, while the second is a more realistic simulation by allowing multiple collisions. The simulation and analytical results exhibit similar plasma density distributions. At distances much less than λT, the average distance an ablated particle travels from the meteoroid before a collision with an atmospheric particle, the plasma density falls off as 1/R, where R is the distance from the meteoroid center. At distances substantially greater than λT, the plasma density profile has an angular dependence, falling off as 1/R2 directly behind the meteoroid, 1/R3 in a plane perpendicular to the meteoroid's path that contains the meteoroid center, and exp[-1.5(R/λT2/3)]/R in front of the meteoroid. When used for calculating meteoroid masses, this new plasma density model can give masses that are orders of magnitude different than masses calculated from a spherically symmetric Gaussian distribution, which has been used to calculate masses in the past.

  17. Z{sub c}(3900): confronting theory and lattice simulations

    Energy Technology Data Exchange (ETDEWEB)

    Albaladejo, Miguel; Fernandez-Soler, Pedro; Nieves, Juan [Instituto de Fisica Corpuscular (IFIC), Centro Mixto CSIC-Universidad de Valencia, Institutos de Investigacion de Paterna, Valencia (Spain)

    2016-10-15

    We consider a recent T-matrix analysis by Albaladejo et al. (Phys Lett B 755:337, 2016), which accounts for the J/ψπ and D{sup *} anti D coupled-channels dynamics, and which successfully describes the experimental information concerning the recently discovered Z{sub c}(3900){sup ±}. Within such scheme, the data can be similarly well described in two different scenarios, where Z{sub c}(3900) is either a resonance or a virtual state. To shed light into the nature of this state, we apply this formalism in a finite box with the aim of comparing with recent Lattice QCD (LQCD) simulations. We see that the energy levels obtained for both scenarios agree well with those obtained in the single-volume LQCD simulation reported in Prelovsek et al. (Phys Rev D 91:014504, 2015), thus making it difficult to disentangle the two possibilities. We also study the volume dependence of the energy levels obtained with our formalism and suggest that LQCD simulations performed at several volumes could help in discerning the actual nature of the intriguing Z{sub c}(3900) state. (orig.)

  18. The neutron electric dipole moments as a test of the superweak interaction theory

    CERN Document Server

    Wolfenstein, Lincoln

    1974-01-01

    Theoretical calculations of the neutron electric dipole moment D/sub n / are reviewed for various theories of CP violation. It is shown that for the superweak interaction theory D/sub n/ is less than 10/sup -29/ e.cm in contrast to values of 10/sup -23/ to 10/sup -24/ predicted by many but not all milliweak theories. It is concluded that prospective measurements of D/sub n/ may provide decisive evidence against or significant evidence in favour of the superweak theory. (26 refs).

  19. Encoding Theory of Mind in Character Design for Pedagogical Interactive Narrative

    Directory of Open Access Journals (Sweden)

    Mei Si

    2014-01-01

    Full Text Available Computer aided interactive narrative allows people to participate actively in a dynamically unfolding story, by playing a character or by exerting directorial control. Because of its potential for providing interesting stories as well as allowing user interaction, interactive narrative has been recognized as a promising tool for providing both education and entertainment. This paper discusses the challenges in creating interactive narratives for pedagogical applications and how the challenges can be addressed by using agent-based technologies. We argue that a rich model of characters and in particular a Theory of Mind capacity are needed. The character architect in the Thespian framework for interactive narrative is presented as an example of how decision-theoretic agents can be used for encoding Theory of Mind and for creating pedagogical interactive narratives.

  20. Numerical simulation of fluid structure interaction in two flexible tubes

    International Nuclear Information System (INIS)

    Feng Zhipeng; Zang Fenggang; Zhang Yixiong

    2014-01-01

    In order to further investigate fluid structure interaction problems, occurring in the nuclear field such as the behavior of PWR fuel rods, steam generator and other heat exchanger tubes, a numerical model was presented. It is a three-dimensional fully coupled approach with solving the fluid flow and the structure vibration simultaneously, for the tube bundles in cross flow. The unsteady three-dimensional Navier-Stokes equation and LES turbulence model were solved with finite volume approach on structured grids combined with the technique of dynamic mesh. The dynamic equilibrium equation was discretized according to the finite element theory. The vibration response of a single tube in cross flow was calculated by the numerical model. Both the amplitude and frequency were compared with experimental data and existing models in the literature. It is shown that the present model is reasonable. The flow induced vibration characteristics, for both inline and parallel sets in cross flow, were investigated by the numerical model. The dynamic response and flow characteristics, for both inline tubes and parallel tubes with pitch ratio of 1.2, 1.6, 2, 3 and 4 under different incident velocities, were studied. Critical pitch and critical velocity were obtained. (authors)

  1. Search of unified theory of basic types of elementary particle interactions

    International Nuclear Information System (INIS)

    Anselm, A.

    1981-01-01

    Four types of forces are described (strong, weak, electromagnetic and gravitational) mediating the basic interactions of quarks and leptons, and attempts are reported of forming a unified theory of all basic interactions. The concepts are discussed, such as the theory symmetry (eg., invariance in relation to the Lorentz transformations) and isotopic symmetry (based on the interchangeability of particles in a given isotopic multiplet). Described are the gauge character of electromagnetic and gravitational interactions, the violation of the gauge symmetry and the mechanism of particle confinement. (H.S.)

  2. The theory of coherent resonance tunneling of interacting electrons

    International Nuclear Information System (INIS)

    Elesin, V. F.

    2001-01-01

    Analytical solutions of the Schrödinger equation for a two-barrier structure (resonance-tunnel diode) with open boundary conditions are found within the model of coherent tunneling of interacting electrons. Simple expressions for resonance current are derived which enable one to analyze the current-voltage characteristics, the conditions of emergence of hysteresis, and singularities of the latter depending on the parameters of resonance-tunnel diode. It is demonstrated that the hysteresis is realized if the current exceeds some critical value proportional to the square of resonance level width.

  3. Left--right symmetric gauge theories of weak and electromagnetic interactions

    International Nuclear Information System (INIS)

    Sidhu, D.P.

    1978-01-01

    We review the recent progress in spontaneously broken left-right symmetric gauge theories of weak and electromagnetic interactions. Recently gauge theories based on the group SU(2)/Sub L/ x SU(2)/sub R/ x U(1) have been proposed as serious candidates for a unified description of the weak and electromagnetic interactions. Such theories have a number of attractive features which are not shared by the standard SU(2) x U(1) theories. Parity violation as well as CP-violation are spontaneous in origin and, therefore, theories are parity conserving before spontaneous breakdown of the symmetry and also afterwards at asymptotic energies. The asymmetry in low energy charged current weak interaction, i.e., predominance of left-handed charged current interactions over the right-handed ones, is a consequence of the symmetry breaking thus leading to a conceptually different picture of weak interaction at low energies. Another appealing feature of these theories is the beauty and richness of the structure of weak neutral current interactions. One can have a parity conserving structure of the neutral currents (one neutral boson (Z/sub V/) has pure vector and the other (Z/sub A/) pure axial vector coupling to quarks and leptons) which is natural in the technical sense of the word. Models of this type provide the most elegant explanation of the failure to find parity violation in atoms at the level predicted on the basis of the Weinberg-Salam model. In spite of manifestly parity conserving neutral current interactions, ν/sub μ/N and anti ν/sub μ/N (also ν/sub μ/e and anti ν/sub μ/e) neutral current cross-sections have to be unequal in these theories because of the definite parity and charge conjugation of the Z-bosons

  4. Cloud Service for Interactive Simulation of Interregional Trade

    Directory of Open Access Journals (Sweden)

    A. S. Velichko

    2016-01-01

    Full Text Available The paper describes a mathematical model of trade flows between the territories of a region or a country in a transport network having one or more different types of marine or ground transportation. We use the approach of modeling complex communication systems to determine the most probable values of flows in case of incomplete information about the system. Transport costs between the territories are modeled within the framework of the gravity model. The payment for transportation depends on the distance between regions, the distance is estimated as the shortest way length in a given transport network or geographical distance. The mathematical formulation of the problem belongs to the class of convex mathematical programming problems and assumes the numerical solution of nonlinear optimization problem with linear constraints. Based on the model, the software is implemented as a cloud service on heterogeneous computing architectures: the simulation module is made on a highperformance server platform, management and visualization modules are produced with IACPaaS cloud platform. Communication between the platforms is established via asynchronous http-queries. For information exchange between the modules the declarative model with JSON format is developed and implemented for the objects considered in the mathematical model which are products, areas and communications. Visualization module allows to present graphically the original and the resulting matrix data and to modify the input parameters of the model interactively. The paper demonstrates the use of software for the simulation of inter-regional freight traffic of the Russian Far East region based on input data provided by open statistics sources.

  5. Analysis of pellet cladding mechanical interaction using computational simulation

    Energy Technology Data Exchange (ETDEWEB)

    Berretta, José R.; Suman, Ricardo B.; Faria, Danilo P.; Rodi, Paulo A., E-mail: jose.berretta@marinha.mil.br [Centro Tecnológico da Marinha em São Paulo (CTMSP), São Paulo, SP (Brazil); Giovedi, Claudia, E-mail: claudia.giovedi@labrisco.usp.br [Universidade de Sao Paulo (LabRisco/USP), São Paulo, SP (Brazil). Laboratório de Análise, Avaliação e Gerenciamento de Riscos

    2017-07-01

    During the operation of Pressurized Water Reactors (PWR), specifically under power transients, the fuel pellet experiences many phenomena, such as swelling and thermal expansion. These dimensional changes in the fuel pellet can enable occurrence of contact it and the cladding along the fuel rod. Thus, pellet cladding mechanical interaction (PCMI), due this contact, induces stress increase at the contact points during a period, until the accommodation of the cladding to the stress increases. This accommodation occurs by means of the cladding strain, which can produce failure, if the fuel rod deformation is permanent or the burst limit of the cladding is reached. Therefore, the mechanical behavior of the cladding during the occurrence of PCMI under power transients shall be investigated during the fuel rod design. Considering the Accident Tolerant Fuel program which aims to develop new materials to be used as cladding in PWR, one important design condition to be evaluated is the cladding behavior under PCMI. The purpose of this paper is to analyze the effects of the PCMI on a typical PWR fuel rod geometry with stainless steel cladding under normal power transients using computational simulation (ANSYS code). The PCMI was analyzed considering four geometric situations at the region of interaction between pellet and cladding. The first case, called “perfect fuel model” was used as reference for comparison. In the second case, it was considered the occurrence of a pellet crack with the loss of a chip. The goal for the next two cases was that a pellet chip was positioned into the gap of pellet-cladding, in the situations described in the first two cases. (author)

  6. Understanding the persistence of measles: reconciling theory, simulation and observation.

    Science.gov (United States)

    Keeling, Matt J; Grenfell, Bryan T

    2002-01-01

    Ever since the pattern of localized extinction associated with measles was discovered by Bartlett in 1957, many models have been developed in an attempt to reproduce this phenomenon. Recently, the use of constant infectious and incubation periods, rather than the more convenient exponential forms, has been presented as a simple means of obtaining realistic persistence levels. However, this result appears at odds with rigorous mathematical theory; here we reconcile these differences. Using a deterministic approach, we parameterize a variety of models to fit the observed biennial attractor, thus determining the level of seasonality by the choice of model. We can then compare fairly the persistence of the stochastic versions of these models, using the 'best-fit' parameters. Finally, we consider the differences between the observed fade-out pattern and the more theoretically appealing 'first passage time'. PMID:11886620

  7. Theory of the low-energy pion-nucleon interaction

    International Nuclear Information System (INIS)

    Banerjee, M.K.; Cammarata, J.B.

    1978-01-01

    A once-subtracted form of the Low equation for the pion-nucleon scattering amplitude is derived, with partial conservation of axial-vector current used to define the amplitude when one pion is off the mass shell. The static approximation is not made and both the seagull terms and the antinucleon contribution (z graphs) are retained. The theory is applied to calculate the S-wave amplitudes in the elastic scattering region. Good agreement is found with the phase shift fits to the data when we use vertical-barg/sub π/(4M 2 ) vertical-bar = 11.69 and 25.5 MeV for the πN sigma commutator. The implications of this work for the analysis of low-energy elastic scattering of pions form nuclei are discussed. In particular, we point out how this work establishes the presence of a Laplacian term in the pion-nucleus optical potential with a magnitude that is fixed from the value of the sigma commutator

  8. Effective field theory and weak non-leptonic interactions

    International Nuclear Information System (INIS)

    Miller, R.D.C.

    1982-06-01

    The techniques of Ovrut and Schnitzer (1981) are used to calculate the finite decoupling renormalisation constants resulting from heavy fermion decoupling in a non-abelian gauge theory exhibiting broken flavour symmetry. The results of this calculation are applied to realistic, massive QCD. The decoupling information may be absorbed into renormalisation group (R.G.) invariants. Working in the Landau gauge R.G. invariants are derived for the running coupling constants and running quark masses of effective QCD in the modified minimal subtraction scheme (for effective QCD with 3 to 8 flavours). This work is then applied to the major part of the thesis; a complete derivation of the effective weak non-leptonic sector of the standard model (SU(3)/sub c/ x SU(2) x U(1)), that is the construction of all effective weak non-leptonic Hamiltonians resulting from the standard model when all quark generations above the third along with the W and Z are explicitily decoupled. The form of decoupling in the work of Gilman and Wise (1979) has been adopted. The weak non-leptonic sector naturally decomposes into flavour changing and flavour conserving sectors relative to anomalous dimension calculations. The flavour changing sector further decomposes into penguin free and penguin generating sectors. Individual analyses of these three sectors are given. All sectors are analysed uniformly, based upon a standard model with n generations

  9. Fundamental experiment on simulated molten core/concrete interaction

    International Nuclear Information System (INIS)

    Toda, S.; Katsumura, Y.

    1994-01-01

    If a complete and prolonged failure of coolant flow were to occur in a LWR or FBR, fission product decay heat would cause the fuel to overheat. If no available action to cool the fuel were taken, it would eventually melt. Ibis could lead to slumping of the molten core material and to the failure of the reactor pressure vessel and deposition of these materials into the concrete reactor cavity. Consequently, the molten core could melt and decompose the concrete. Vigorous agitation of the molten core pool by concrete decomposition gases is expected to enhance the convective heat transfer process. Besides the decomposition gases, melting concrete (slag) generated under the molten core pool will be buoyed up, and will also affect the downward heat transfer. Though, in this way, the heat transfer process across the interface is complicated by the slag and the gases evolved from the decomposed concrete, it is very important to make its process clear for the safety evaluation of nuclear reactors. Therefore, in this study, fundamental experiments were performed using simulated materials to observe the behaviors of the hot pool, slag and gases at the interface. Moreover, from the experimental observation, a correlation without empirical constants was proposed to calculate the interface heat transfer. The heat transfer across the interface would depend on thermo-physical interactions between the pool, slag and concrete which are changed by their thermal properties and interface temperature and so on. For example, the molten concrete is miscible in molten oxidic core debris, but is immiscible in metallic core debris. If a contact temperature between the molten core pool and the concrete falls below the solidus of the pool, solidification of the pool will occur. In this study, the case of immiscible slag in the pool is treated and solidification of the pool does not occur. Thus, water, paraffin and air were selected as the simulated molten core pool, concrete, and decomposition

  10. Evaluating clinical simulations for learning procedural skills: a theory-based approach.

    Science.gov (United States)

    Kneebone, Roger

    2005-06-01

    Simulation-based learning is becoming widely established within medical education. It offers obvious benefits to novices learning invasive procedural skills, especially in a climate of decreasing clinical exposure. However, simulations are often accepted uncritically, with undue emphasis being placed on technological sophistication at the expense of theory-based design. The author proposes four key areas that underpin simulation-based learning, and summarizes the theoretical grounding for each. These are (1) gaining technical proficiency (psychomotor skills and learning theory, the importance of repeated practice and regular reinforcement), (2) the place of expert assistance (a Vygotskian interpretation of tutor support, where assistance is tailored to each learner's needs), (3) learning within a professional context (situated learning and contemporary apprenticeship theory), and (4) the affective component of learning (the effect of emotion on learning). The author then offers four criteria for critically evaluating new or existing simulations, based on the theoretical framework outlined above. These are: (1) Simulations should allow for sustained, deliberate practice within a safe environment, ensuring that recently-acquired skills are consolidated within a defined curriculum which assures regular reinforcement; (2) simulations should provide access to expert tutors when appropriate, ensuring that such support fades when no longer needed; (3) simulations should map onto real-life clinical experience, ensuring that learning supports the experience gained within communities of actual practice; and (4) simulation-based learning environments should provide a supportive, motivational, and learner-centered milieu which is conducive to learning.

  11. Interacting systems far from equilibrium quantum kinetic theory

    CERN Document Server

    Morawetz, Klaus

    2018-01-01

    This book presents an up-to-date formalism of non-equilibrium Green's functions covering different applications ranging from solid state physics, plasma physics, cold atoms in optical lattices up to relativistic transport and heavy ion collisions. Within the Green's function formalism, the basic sets of equations for these diverse systems are similar, and approximations developed in one field can be adapted to another field. The central object is the self-energy which includes all non-trivial aspects of the system dynamics. The focus is therefore on microscopic processes starting from elementary principles for classical gases and the complementary picture of a single quantum particle in a random potential. This provides an intuitive picture of the interaction of a particle with the medium formed by other particles, on which the Green's function is built on.

  12. Structure-Interaction Theory: Conceptual, Contextual and Strategic Influences on Human Communication

    Directory of Open Access Journals (Sweden)

    Стивен А Биби

    2015-12-01

    Full Text Available This paper addresses Structure-Interaction Theory (SIT, a theoretical framework that both describes communication messages as well as assists in making predictions about how human communication can be improved based on listener preferences for message structure or interaction. Communication messages may be characterized as existing on a continuum of structure-interaction. Communication structure is the inherent way information in a message is organized. A highly structured message is one in which the message is strategically organized using a planned arrangement of symbols to create meaning. Communication interaction is a way of viewing a message with give-and-take, less sustained “notes,” more change in note sequence and briefer notes. SIT seeks to provide a framework to assist communicators in appropriately adapting a message for maximum effectiveness. Although Structure-Interaction Theory newly articulated here, it is anchored in both classic ways of describing communication, such as rhetoric and dialectic (Aristotle, 1959, as well as more contemporary communication theories (Salem, 2012; Littlejohn & Foss, 2008. Specifically, the paper provides an overview of the theory and its conceptual assumptions, identifies how the theory can help explain and predict communication in several communication contexts (interpersonal, group, public communication, and suggests how SIT may help identify strategies to enhance human development. Structure-Interaction Theory is based on an assumption that a human communication message which is understood, achieves the intended effect of the communicator, and is ethical, requires an appropriate balance of two things: structure and interaction. Communication structure is the inherent way a message is constructed to provide a sustained direction to present information to another person. In linking structure and interaction to Aristotle’s description of messages, rhetoric is a more structured, sustained speech

  13. Deriving the four-string and open-closed string interactions from geometric string field theory

    International Nuclear Information System (INIS)

    Kaku, M.

    1990-01-01

    One of the questions concerning the covariant open string field theory is why there are two distinct BRST theories and why the four-string interaction appears in one version but not the other. The authors solve this mystery by showing that both theories are gauge-fixed versions of a higher gauge theory, called the geometric string field theory, with a new field, a string verbein e μσ νρ , which allows us to gauge the string length and σ parametrization. By fixing the gauge, the authors can derive the endpoint gauge (the covariantized light cone gauge), the midpoint gauge of Witten, or the interpolating gauge with arbitrary string length. The authors show explicitly that the four-string interaction is a gauge artifact of the geometric theory (the counterpart of the four-fermion instantaneous Coulomb term of QED). By choosing the interpolating gauge, they produce a new class of four-string interactions which smoothly interpolate between the endpoint gauge and the midpoint gauge (where it vanishes). Similarly, they can extract the closed string as a bound state of the open string, which appears in the endpoint gauge but vanishes in the midpoint gauge. Thus, the four-string and open-closed string interactions do not have to be added to the action as long as the string vierbein is included

  14. Electromagnetic particle-in-cell simulations of the solar wind interaction with lunar magnetic anomalies.

    Science.gov (United States)

    Deca, J; Divin, A; Lapenta, G; Lembège, B; Markidis, S; Horányi, M

    2014-04-18

    We present the first three-dimensional fully kinetic and electromagnetic simulations of the solar wind interaction with lunar crustal magnetic anomalies (LMAs). Using the implicit particle-in-cell code iPic3D, we confirm that LMAs may indeed be strong enough to stand off the solar wind from directly impacting the lunar surface forming a mini-magnetosphere, as suggested by spacecraft observations and theory. In contrast to earlier magnetohydrodynamics and hybrid simulations, the fully kinetic nature of iPic3D allows us to investigate the space charge effects and in particular the electron dynamics dominating the near-surface lunar plasma environment. We describe for the first time the interaction of a dipole model centered just below the lunar surface under plasma conditions such that only the electron population is magnetized. The fully kinetic treatment identifies electromagnetic modes that alter the magnetic field at scales determined by the electron physics. Driven by strong pressure anisotropies, the mini-magnetosphere is unstable over time, leading to only temporal shielding of the surface underneath. Future human exploration as well as lunar science in general therefore hinges on a better understanding of LMAs.

  15. Interactions from diffraction data: historical and comprehensive overview of simulation assisted methods

    International Nuclear Information System (INIS)

    Toth, Gergely

    2007-01-01

    A large part of statistical mechanics is concerned with the determination of condensed matter structure on the basis of known microscopic interactions. An increasing emphasis has been put on the opposite situation in the last decades as well, where structural data, e.g. pair-distance statistics, are known from diffraction experiments, and one looks for the corresponding interaction functions. The solution of this inverse problem was searched for within the integral equation theories of condensed matter in the early investigations, but before long computer simulation assisted methods were suggested. The interest in this field showed an increasing trend after some attempts appeared in the late 1980s. Several methods were published in the 1990s, and one-two methods appear annually nowadays. In this paper a comprehensive and historical overview is given on the solution of the inverse problem with simulation assisted methods. Emphasis is put on the theoretical grounds of the methods, on the choice of possible input structural functions, on the numerically local or global schemes of the potential modifications, on some advantages and limits of the different methods and on the scientific impact of the methods

  16. Timing Interactions in Social Simulations: The Voter Model

    Science.gov (United States)

    Fernández-Gracia, Juan; Eguíluz, Víctor M.; Miguel, Maxi San

    The recent availability of huge high resolution datasets on human activities has revealed the heavy-tailed nature of the interevent time distributions. In social simulations of interacting agents the standard approach has been to use Poisson processes to update the state of the agents, which gives rise to very homogeneous activity patterns with a well defined characteristic interevent time. As a paradigmatic opinion model we investigate the voter model and review the standard update rules and propose two new update rules which are able to account for heterogeneous activity patterns. For the new update rules each node gets updated with a probability that depends on the time since the last event of the node, where an event can be an update attempt (exogenous update) or a change of state (endogenous update). We find that both update rules can give rise to power law interevent time distributions, although the endogenous one more robustly. Apart from that for the exogenous update rule and the standard update rules the voter model does not reach consensus in the infinite size limit, while for the endogenous update there exist a coarsening process that drives the system toward consensus configurations.

  17. Numerical Simulation of Tower Rotor Interaction for Downwind Wind Turbine

    Directory of Open Access Journals (Sweden)

    Isam Janajreh

    2010-01-01

    Full Text Available Downwind wind turbines have lower upwind rotor misalignment, and thus lower turning moment and self-steered advantage over the upwind configuration. In this paper, numerical simulation to the downwind turbine is conducted to investigate the interaction between the tower and the blade during the intrinsic passage of the rotor in the wake of the tower. The moving rotor has been accounted for via ALE formulation of the incompressible, unsteady, turbulent Navier-Stokes equations. The localized CP, CL, and CD are computed and compared to undisturbed flow evaluated by Panel method. The time history of the CP, aerodynamic forces (CL and CD, as well as moments were evaluated for three cross-sectional tower; asymmetrical airfoil (NACA0012 having four times the rotor's chord length, and two circular cross-sections having four and two chords lengths of the rotor's chord. 5%, 17%, and 57% reductions of the aerodynamic lift forces during the blade passage in the wake of the symmetrical airfoil tower, small circular cross-section tower and large circular cross-section tower were observed, respectively. The pronounced reduction, however, is confined to a short time/distance of three rotor chords. A net forward impulsive force is also observed on the tower due to the high speed rotor motion.

  18. Implementation of interactive virtual simulation of physical systems

    International Nuclear Information System (INIS)

    Sanchez, H; Escobar, J J; Gonzalez, J D; Beltran, J

    2014-01-01

    Considering the limited availability of laboratories for physics teaching and the difficulties this causes in the learning of school students in Santa Marta Colombia, we have developed software in order to generate greater student interaction with the phenomena physical and improve their understanding. Thereby, this system has been proposed in an architecture Model/View- View- Model (MVVM), sharing the benefits of MVC. Basically, this pattern consists of 3 parts: The Model, that is responsible for business logic related. The View, which is the part with which we are most familiar and the user sees. Its role is to display data to the user and allowing manipulation of the data of the application. The ViewModel, which is the middle part of the Model and the View (analogous to the Controller in the MVC pattern), as well as being responsible for implementing the behavior of the view to respond to user actions and expose data model in a way that is easy to use links to data in the view. .NET Framework 4.0 and editing package Silverlight 4 and 5 are the main requirements needed for the deployment of physical simulations that are hosted in the web application and a web browser (Internet Explorer, Mozilla Firefox or Chrome). The implementation of this innovative application in educational institutions has shown that students improved their contextualization of physical phenomena

  19. Decentralized adaptive control of manipulators - Theory, simulation, and experimentation

    Science.gov (United States)

    Seraji, Homayoun

    1989-01-01

    The author presents a simple decentralized adaptive-control scheme for multijoint robot manipulators based on the independent joint control concept. The control objective is to achieve accurate tracking of desired joint trajectories. The proposed control scheme does not use the complex manipulator dynamic model, and each joint is controlled simply by a PID (proportional-integral-derivative) feedback controller and a position-velocity-acceleration feedforward controller, both with adjustable gains. Simulation results are given for a two-link direct-drive manipulator under adaptive independent joint control. The results illustrate trajectory tracking under coupled dynamics and varying payload. The proposed scheme is implemented on a MicroVAX II computer for motion control of the three major joints of a PUMA 560 arm. Experimental results are presented to demonstrate that trajectory tracking is achieved despite coupled nonlinear joint dynamics.

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

    International Nuclear Information System (INIS)

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

    1992-01-01

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