WorldWideScience

Sample records for inhomogeneities simulations theory

  1. On the stimulated Raman sidescattering in inhomogeneous plasmas: revisit of linear theory and three-dimensional particle-in-cell simulations

    Science.gov (United States)

    Xiao, C. Z.; Zhuo, H. B.; Yin, Y.; Liu, Z. J.; Zheng, C. Y.; Zhao, Y.; He, X. T.

    2018-02-01

    Stimulated Raman sidescattering (SRSS) in inhomogeneous plasma is comprehensively revisited on both theoretical and numerical aspects due to the increasing concern of its detriments to inertial confinement fusion. Firstly, two linear mechanisms of finite beam width and collisional effects that could suppress SRSS are investigated theoretically. Thresholds for the eigenmode and wave packet in a finite-width beam are derived as a supplement to the theory proposed by Mostrom and Kaufman (1979 Phys. Rev. Lett. 42 644). Collisional absorption of SRSS is efficient at high-density plasma and high-Z material, otherwise, it allows emission of sidescattering. Secondly, we have performed the first three-dimensional particle-in-cell simulations in the context of SRSS to investigate its linear and nonlinear effects. Simulation results are qualitatively agreed with the linear theory. SRSS with the maximum growth gain is excited at various densities, grows to an amplitude that is comparable with the pump laser, and evolutes to lower densities with a large angle of emergence. Competitions between SRSS and other parametric instabilities such as stimulated Raman backscattering, two-plasmon decay, and stimulated Brillouin scattering are discussed. These interaction processes are determined by gains, occurrence sites, scattering geometries of each instability, and will affect subsequent evolutions. Nonlinear effects of self-focusing and azimuthal magnetic field generation are observed to be accompanied with SRSS. In addition, it is found that SRSS is insensitive to ion motion, collision (low-Z material), and electron temperature.

  2. Theory of Thomson scattering in inhomogeneous media.

    Science.gov (United States)

    Kozlowski, P M; Crowley, B J B; Gericke, D O; Regan, S P; Gregori, G

    2016-04-12

    Thomson scattering of laser light is one of the most fundamental diagnostics of plasma density, temperature and magnetic fields. It relies on the assumption that the properties in the probed volume are homogeneous and constant during the probing time. On the other hand, laboratory plasmas are seldom uniform and homogeneous on the temporal and spatial dimensions over which data is collected. This is particularly true for laser-produced high-energy-density matter, which often exhibits steep gradients in temperature, density and pressure, on a scale determined by the laser focus. Here, we discuss the modification of the cross section for Thomson scattering in fully-ionized media exhibiting steep spatial inhomogeneities and/or fast temporal fluctuations. We show that the predicted Thomson scattering spectra are greatly altered compared to the uniform case, and may lead to violations of detailed balance. Therefore, careful interpretation of the spectra is necessary for spatially or temporally inhomogeneous systems.

  3. Particle Production and Effective Thermalization in Inhomogeneous Mean Field Theory

    NARCIS (Netherlands)

    Aarts, G.; Smit, J.

    2000-01-01

    As a toy model for dynamics in nonequilibrium quantum field theory we consider the abelian Higgs model in 1+1 dimensions with fermions. In the approximate dynamical equations, inhomogeneous classical (mean) Bose fields are coupled to quantized fermion fields, which are treated with a mode function

  4. Multiple scattering theory of radiative transfer in inhomogeneous atmospheres.

    Science.gov (United States)

    Kanal, M.

    1973-01-01

    In this paper we treat the multiple scattering theory of radiative transfer in plane-parallel inhomogeneous atmospheres. The treatment presented here may be adopted to model atmospheres characterized by an optical depth dependent coherent scattering phase function. For the purpose of illustration we consider the semi-infinite medium in which the absorption property of the atmosphere is characterized by an exponential function. The methodology employed here is the extension of the case treated previously by the author for homogeneous atmospheres.

  5. LANGMUIR WAVE DECAY IN INHOMOGENEOUS SOLAR WIND PLASMAS: SIMULATION RESULTS

    Energy Technology Data Exchange (ETDEWEB)

    Krafft, C. [Laboratoire de Physique des Plasmas, Ecole Polytechnique, F-91128 Palaiseau Cedex (France); Volokitin, A. S. [IZMIRAN, Troitsk, 142190, Moscow (Russian Federation); Krasnoselskikh, V. V., E-mail: catherine.krafft@u-psud.fr [Laboratoire de Physique et Chimie de l’Environnement et de l’Espace, 3A Av. de la Recherche Scientifique, F-45071 Orléans Cedex 2 (France)

    2015-08-20

    Langmuir turbulence excited by electron flows in solar wind plasmas is studied on the basis of numerical simulations. In particular, nonlinear wave decay processes involving ion-sound (IS) waves are considered in order to understand their dependence on external long-wavelength plasma density fluctuations. In the presence of inhomogeneities, it is shown that the decay processes are localized in space and, due to the differences between the group velocities of Langmuir and IS waves, their duration is limited so that a full nonlinear saturation cannot be achieved. The reflection and the scattering of Langmuir wave packets on the ambient and randomly varying density fluctuations lead to crucial effects impacting the development of the IS wave spectrum. Notably, beatings between forward propagating Langmuir waves and reflected ones result in the parametric generation of waves of noticeable amplitudes and in the amplification of IS waves. These processes, repeated at different space locations, form a series of cascades of wave energy transfer, similar to those studied in the frame of weak turbulence theory. The dynamics of such a cascading mechanism and its influence on the acceleration of the most energetic part of the electron beam are studied. Finally, the role of the decay processes in the shaping of the profiles of the Langmuir wave packets is discussed, and the waveforms calculated are compared with those observed recently on board the spacecraft Solar TErrestrial RElations Observatory and WIND.

  6. Inhomogeneous electrochemiluminescence. II Markovian encounter theory of the phenomenon

    International Nuclear Information System (INIS)

    Gladkikh, V.; Burshtein, A.I.

    2005-01-01

    The free energy dependence of the electro-chemiluminescence quantum yield is specified, with the Markovian encounter theory accounting for the reversibility of triplet production competing with the irreversible recombination to the ground state. It is shown that diffusional ion recombination is highly inhomogeneous in space. It proceeds at either large positive ionization free energy (mainly to the triplet product) or at large negative free energy when recombination to the ground state dominates. On the contrary at medium free energies, the quasi-resonant generation of triplets is under kinetic control and therefore much more homogeneous. In this case, both recombination products are generated in comparable amounts. The multiple reversible ionization is shown to act as an independent quenching mechanism previously unknown. The role of the triplet quenching at the electrode is also specified. These effects reduce noticeably the luminescence quantum yield but only at larger triplet life times and in different free energy regions

  7. Correlated density matrix theory of spatially inhomogeneous Bose fluids

    International Nuclear Information System (INIS)

    Gernoth, K.A.; Clark, J.W.; Ristig, M.L.

    1994-06-01

    In this paper, the variational Hartree-Jastrow theory of the ground state of spatially inhomogeneous Bose systems is extended to finite temperatures. The theory presented here is a generalization also in the sense that it extends the correlated density matrix approach, formulated previously for uniform Bose fluids, to systems with nonuniform density profiles. The method provides a framework in which the effects of thermal excitations on the spatial structure of a Bose fluid, as represented by the density profile and the two-body distribution functions, may be discussed on the basis on an ab initio microscopic description of the system. Thermal excitations make their appearance through self-consistently determined one-body and two-body potentials which enter the nonlinear, coupled Euler-Lagrange equations for the one-body density and for the pair distribution function. Since back-flow correlations are neglected, the excitations are described by a Feynman eigenvalue equation, suitably generalized to nonzero temperatures. The only external quantities entering the correlated density matrix theory elaborated here are the bare two-body interaction potential and, in actual applications, the boundary conditions to be imposed on the one-body density. 30 refs

  8. The equilibrium theory of inhomogeneous polymers (international series of monographs on physics)

    CERN Document Server

    Fredrickson, Glenn

    2013-01-01

    The Equilibrium Theory of Inhomogeneous Polymers provides an introduction to the field-theoretic methods and computer simulation techniques that are used in the design of structured polymeric fluids. By such methods, the principles that dictate equilibrium self-assembly in systems ranging from block and graft copolymers, to polyelectrolytes, liquid crystalline polymers, and polymer nanocomposites can be established. Building on an introductory discussion of single-polymer statistical mechanics, the book provides a detailed treatment of analytical and numerical techniques for addressing the conformational properties of polymers subjected to spatially-varying potential fields. This problem is shown to be central to the field-theoretic description of interacting polymeric fluids, and models for a number of important polymer systems are elaborated. Chapter 5 serves to unify and expound the topic of self-consistent field theory, which is a collection of analytical and numerical techniques for obtaining solutions o...

  9. The inhomogeneous MUSIG model for the simulation of polydispersed flows

    International Nuclear Information System (INIS)

    Krepper, Eckhard; Lucas, Dirk; Frank, Thomas; Prasser, Horst-Michael; Zwart, Phil J.

    2008-01-01

    A generalized inhomogeneous multiple size group (MUSIG) model based on the Eulerian modeling framework was developed in close cooperation of ANSYS-CFX and Forschungszentrum Dresden-Rossendorf and implemented into the CFD code CFX. The model enables the subdivision of the dispersed phase into a number of size groups regarding the mass balance as well as regarding the momentum balance. In this work, the special case of polydispersed bubbly flow is considered. By simulating such flows, the mass exchanged between bubble size classes by bubble coalescence and bubble fragmentation, as well as the momentum transfer between the bubbles and the surrounding liquid due to bubble size dependent interfacial forces have to be considered. Particularly the lift force has been proven to play an important role in establishing a certain bubble size distribution dependent flow regime. In a previous study [Krepper, E., Lucas, D., Prasser, H.-M., 2005. On the modeling of bubbly flow in vertical pipes. Nucl. Eng. Des. 235, 597-611] the application of such effects were considered and justified and a general outline of such a model concept was given. In this paper the model and its validation for several vertical pipe flow situations is presented. The experimental data were obtained from the TOPFLOW test facility at the Forschungszentrum Dresden-Rossendorf (FZD). The wire-mesh technology measuring local gas volume fractions, bubble size distributions and velocities of gas and liquid phases were employed. The inhomogeneous MUSIG model approach was shown as capable of describing bubbly flows with higher gas content. Particularly the separation phenomenon of small and large bubbles is well described. This separation has been proven as a key phenomenon in the establishment of the corresponding flow regime. Weaknesses in this approach can be attributed to the characterization of bubble coalescence and bubble fragmentation, which must be further investigated

  10. Glauber theory and the quantum coherence of curvature inhomogeneities

    CERN Document Server

    Giovannini, Massimo

    2017-01-12

    The curvature inhomogeneities are systematically scrutinized in the framework of the Glauber approach. The amplified quantum fluctuations of the scalar and tensor modes of the geometry are shown to be first-order coherent while the interference of the corresponding intensities is larger than in the case of Bose-Einstein correlations. After showing that the degree of second-order coherence does not suffice to characterize unambiguously the curvature inhomogeneities, we argue that direct analyses of the degrees of third and fourth-order coherence are necessary to discriminate between different correlated states and to infer more reliably the statistical properties of the large-scale fluctuations. We speculate that the moments of the multiplicity distributions of the relic phonons might be observationally accessible thanks to new generations of instruments able to count the single photons of the Cosmic Microwave Background in the THz region.

  11. Polymers undergoing inhomogeneous adsorption: exact results and Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Iliev, G K [Department of Mathematics, University of Melbourne, Parkville, Victoria (Australia); Orlandini, E [Dipartimento di Fisica, CNISM, Universita di Padova, Via Marzolo 8, 35131 Padova (Italy); Whittington, S G, E-mail: giliev@yorku.ca [Department of Chemistry, University of Toronto, Toronto (Canada)

    2011-10-07

    We consider several types of inhomogeneous polymer adsorption. In each case, the inhomogeneity is regular and resides in the surface, in the polymer or in both. We consider two different polymer models: a directed walk model that can be solved exactly and a self-avoiding walk model which we investigate using Monte Carlo methods. In each case, we compute the phase diagram. We compare and contrast the phase diagrams and give qualitative arguments about their forms. (paper)

  12. Linearized theory of inhomogeneous multiple 'water-bag' plasmas

    Science.gov (United States)

    Bloomberg, H. W.; Berk, H. L.

    1973-01-01

    Equations are derived for describing the inhomogeneous equilibrium and small deviations from the equilibrium, giving particular attention to systems with trapped particles. An investigation is conducted of periodic systems with a single trapped-particle water bag, taking into account the behavior of the perturbation equations at the turning points. An outline is provided concerning a procedure for obtaining the eigenvalues. The results of stability calculations connected with the sideband effects are considered along with questions regarding the general applicability of the multiple water-bag approach in stability calculations.

  13. Vlasov simulations of electron hole dynamics in inhomogeneous magnetic field

    Science.gov (United States)

    Kuzichev, Ilya; Vasko, Ivan; Agapitov, Oleksiy; Mozer, Forrest; Artemyev, Anton

    2017-04-01

    Electron holes (EHs) or phase space vortices are solitary electrostatic waves existing due to electrons trapped within EH electrostatic potential. Since the first direct observation [1], EHs have been widely observed in the Earth's magnetosphere: in reconnecting current sheets [2], injection fronts [3], auroral region [4], and many other space plasma systems. EHs have typical spatial scales up to tens of Debye lengths, electric field amplitudes up to hundreds of mV/m and propagate along magnetic field lines with velocities of about electron thermal velocity [5]. The role of EHs in energy dissipation and supporting of large-scale potential drops is under active investigation. The accurate interpretation of spacecraft observations requires understanding of EH evolution in inhomogeneous plasma. The critical role of plasma density gradients in EH evolution was demonstrated in [6] using PIC simulations. Interestingly, up to date no studies have addressed a role of magnetic field gradients in EH evolution. In this report, we use 1.5D gyrokinetic Vlasov code to demonstrate the critical role of magnetic field gradients in EH dynamics. We show that EHs propagating into stronger (weaker) magnetic field are decelerated (accelerated) with deceleration (acceleration) rate dependent on the magnetic field gradient. Remarkably, the reflection points of decelerating EHs are independent of the average magnetic field gradient in the system and depend only on the EH parameters. EHs are decelerated (accelerated) faster than would follow from the "quasi-particle" concept assuming that EH is decelerated (accelerated) entirely due to the mirror force acting on electrons trapped within EH. We demonstrate that EH propagation in inhomogeneous magnetic fields results in development of a net potential drop along an EH, which depends on the magnetic field gradient. The revealed features will be helpful for interpreting spacecraft observations and results of advanced particle simulations. In

  14. Effective medium theories of inhomogeneous media from modern perspective

    International Nuclear Information System (INIS)

    Gubernatis, J.E.

    1977-01-01

    In the study of disordered alloys, theorists have stated the physics of the problem in terms of an integral equation and analyzed this equation by techniques developed in the quantum mechanical theory of scattering. The application of the scattering theory approach to the computation of the effective dielectric constant of a polycrystal is discussed. The problem is framed in the form of an integral equation. Several well-known intuitive approximations are recovered, and the connection of the approximations to perturbation theory is indicated

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

    DEFF Research Database (Denmark)

    Yan, Wei

    2015-01-01

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

  16. Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril.

    Science.gov (United States)

    Nguyen, Crystal N; Young, Tom Kurtzman; Gilson, Michael K

    2012-07-28

    The displacement of perturbed water upon binding is believed to play a critical role in the thermodynamics of biomolecular recognition, but it is nontrivial to unambiguously define and answer questions about this process. We address this issue by introducing grid inhomogeneous solvation theory (GIST), which discretizes the equations of inhomogeneous solvation theory (IST) onto a three-dimensional grid situated in the region of interest around a solute molecule or complex. Snapshots from explicit solvent simulations are used to estimate localized solvation entropies, energies, and free energies associated with the grid boxes, or voxels, and properly summing these thermodynamic quantities over voxels yields information about hydration thermodynamics. GIST thus provides a smoothly varying representation of water properties as a function of position, rather than focusing on hydration sites where solvent is present at high density. It therefore accounts for full or partial displacement of water from sites that are highly occupied by water, as well as for partly occupied and water-depleted regions around the solute. GIST can also provide a well-defined estimate of the solvation free energy and therefore enables a rigorous end-states analysis of binding. For example, one may not only use a first GIST calculation to project the thermodynamic consequences of displacing water from the surface of a receptor by a ligand, but also account, in a second GIST calculation, for the thermodynamics of subsequent solvent reorganization around the bound complex. In the present study, a first GIST analysis of the molecular host cucurbit[7]uril is found to yield a rich picture of hydration structure and thermodynamics in and around this miniature receptor. One of the most striking results is the observation of a toroidal region of high water density at the center of the host's nonpolar cavity. Despite its high density, the water in this toroidal region is disfavored energetically and

  17. Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. 1. Algorithms and parallelization

    International Nuclear Information System (INIS)

    Frink, L.J.D.; Salinger, A.G.

    2000-01-01

    Fluids adsorbed near surfaces, near macromolecules, and in porous materials are inhomogeneous, exhibiting spatially varying density distributions. This inhomogeneity in the fluid plays an important role in controlling a wide variety of complex physical phenomena including wetting, self-assembly, corrosion, and molecular recognition. One of the key methods for studying the properties of inhomogeneous fluids in simple geometries has been density functional theory (DFT). However, there has been a conspicuous lack of calculations in complex two- and three-dimensional geometries. The computational difficulty arises from the need to perform nested integrals that are due to nonlocal terms in the free energy functional. These integral equations are expensive both in evaluation time and in memory requirements; however, the expense can be mitigated by intelligent algorithms and the use of parallel computers. This paper details the efforts to develop efficient numerical algorithms so that nonlocal DFT calculations in complex geometries that require two or three dimensions can be performed. The success of this implementation will enable the study of solvation effects at heterogeneous surfaces, in zeolites, in solvated (bio)polymers, and in colloidal suspensions

  18. Ventilation inhomogeneity in obstructive lung diseases measured by electrical impedance tomography: a simulation study.

    Science.gov (United States)

    Schullcke, B; Krueger-Ziolek, S; Gong, B; Jörres, R A; Mueller-Lisse, U; Moeller, K

    2017-10-10

    Electrical impedance tomography (EIT) has mostly been used in the Intensive Care Unit (ICU) to monitor ventilation distribution but is also promising for the diagnosis in spontaneously breathing patients with obstructive lung diseases. Beside tomographic images, several numerical measures have been proposed to quantitatively assess the lung state. In this study two common measures, the 'Global Inhomogeneity Index' and the 'Coefficient of Variation' were compared regarding their capability to reflect the severity of lung obstruction. A three-dimensional simulation model was used to simulate obstructed lungs, whereby images were reconstructed on a two-dimensional domain. Simulations revealed that minor obstructions are not adequately recognized in the reconstructed images and that obstruction above and below the electrode plane may result in misleading values of inhomogeneity measures. EIT measurements on several electrode planes are necessary to apply these measures in patients with obstructive lung diseases in a promising manner.

  19. A new simulation model for inhomogeneous Au/n-GaN structure

    Energy Technology Data Exchange (ETDEWEB)

    Kavasoglu, Nese, E-mail: knesese@gmail.com; Kavasoglu, Abdulkadir Sertap; Metin, Bengul [Mugla Sitki Kocman University, Faculty of Sciences, Department of Physics, Photovoltaic Material and Device Laboratory (Turkey)

    2016-05-15

    The larger the device area, the more difficult to carry on homogeneity during the fabrication and following treatments. Structural inhomogeneity may indicate themselves in variations in local electronic device parameters. Electrical current through the potential barriers is exponentially sensitive to the local device parameters and its fluctuations in the Schottky devices. A new simulation program is developed to describe a relation between multiple, random barrier heights and current-voltage characteristics of the Schottky device. We model the barrier height inhomogeneity in terms of random microcells connected in parallel, which have different barrier height values. Analyzing the integral of the simulated light current-voltage curves show that fluctuations of the local barrier height result in a degradation of the open circuit voltage, fill factor and in consequence, of the over all power conversation efficiency. The implementation described here is quite general and can be used to simulate any device parameter fluctuations in the Schottky devices.

  20. Inhomogeneities detection in annual precipitation time series in Portugal using direct sequential simulation

    Science.gov (United States)

    Caineta, Júlio; Ribeiro, Sara; Costa, Ana Cristina; Henriques, Roberto; Soares, Amílcar

    2014-05-01

    Climate data homogenisation is of major importance in monitoring climate change, the validation of weather forecasting, general circulation and regional atmospheric models, modelling of erosion, drought monitoring, among other studies of hydrological and environmental impacts. This happens because non-climate factors can cause time series discontinuities which may hide the true climatic signal and patterns, thus potentially bias the conclusions of those studies. In the last two decades, many methods have been developed to identify and remove these inhomogeneities. One of those is based on geostatistical simulation (DSS - direct sequential simulation), where local probability density functions (pdf) are calculated at candidate monitoring stations, using spatial and temporal neighbouring observations, and then are used for detection of inhomogeneities. This approach has been previously applied to detect inhomogeneities in four precipitation series (wet day count) from a network with 66 monitoring stations located in the southern region of Portugal (1980-2001). This study revealed promising results and the potential advantages of geostatistical techniques for inhomogeneities detection in climate time series. This work extends the case study presented before and investigates the application of the geostatistical stochastic approach to ten precipitation series that were previously classified as inhomogeneous by one of six absolute homogeneity tests (Mann-Kendall test, Wald-Wolfowitz runs test, Von Neumann ratio test, Standard normal homogeneity test (SNHT) for a single break, Pettit test, and Buishand range test). Moreover, a sensibility analysis is implemented to investigate the number of simulated realisations that should be used to accurately infer the local pdfs. Accordingly, the number of simulations per iteration is increased from 50 to 500, which resulted in a more representative local pdf. A set of default and recommended settings is provided, which will help

  1. Massively parallel simulator of optical coherence tomography of inhomogeneous turbid media.

    Science.gov (United States)

    Malektaji, Siavash; Lima, Ivan T; Escobar I, Mauricio R; Sherif, Sherif S

    2017-10-01

    An accurate and practical simulator for Optical Coherence Tomography (OCT) could be an important tool to study the underlying physical phenomena in OCT such as multiple light scattering. Recently, many researchers have investigated simulation of OCT of turbid media, e.g., tissue, using Monte Carlo methods. The main drawback of these earlier simulators is the long computational time required to produce accurate results. We developed a massively parallel simulator of OCT of inhomogeneous turbid media that obtains both Class I diffusive reflectivity, due to ballistic and quasi-ballistic scattered photons, and Class II diffusive reflectivity due to multiply scattered photons. This Monte Carlo-based simulator is implemented on graphic processing units (GPUs), using the Compute Unified Device Architecture (CUDA) platform and programming model, to exploit the parallel nature of propagation of photons in tissue. It models an arbitrary shaped sample medium as a tetrahedron-based mesh and uses an advanced importance sampling scheme. This new simulator speeds up simulations of OCT of inhomogeneous turbid media by about two orders of magnitude. To demonstrate this result, we have compared the computation times of our new parallel simulator and its serial counterpart using two samples of inhomogeneous turbid media. We have shown that our parallel implementation reduced simulation time of OCT of the first sample medium from 407 min to 92 min by using a single GPU card, to 12 min by using 8 GPU cards and to 7 min by using 16 GPU cards. For the second sample medium, the OCT simulation time was reduced from 209 h to 35.6 h by using a single GPU card, and to 4.65 h by using 8 GPU cards, and to only 2 h by using 16 GPU cards. Therefore our new parallel simulator is considerably more practical to use than its central processing unit (CPU)-based counterpart. Our new parallel OCT simulator could be a practical tool to study the different physical phenomena underlying OCT

  2. Transient difference solutions of the inhomogeneous wave equation - Simulation of the Green's function

    Science.gov (United States)

    Baumeister, K. J.

    1983-01-01

    A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

  3. Transient difference solutions of the inhomogeneous wave equation: Simulation of the Green's function

    Science.gov (United States)

    Baumeiste, K. J.

    1983-01-01

    A time-dependent finite difference formulation to the inhomogeneous wave equation is derived for plane wave propagation with harmonic noise sources. The difference equation and boundary conditions are developed along with the techniques to simulate the Dirac delta function associated with a concentrated noise source. Example calculations are presented for the Green's function and distributed noise sources. For the example considered, the desired Fourier transformed acoustic pressures are determined from the transient pressures by use of a ramping function and an integration technique, both of which eliminates the nonharmonic pressure associated with the initial transient.

  4. Reference interaction site model with hydrophobicity induced density inhomogeneity: An analytical theory to compute solvation properties of large hydrophobic solutes in the mixture of polyatomic solvent molecules

    International Nuclear Information System (INIS)

    Cao, Siqin; Sheong, Fu Kit; Huang, Xuhui

    2015-01-01

    Reference interaction site model (RISM) has recently become a popular approach in the study of thermodynamical and structural properties of the solvent around macromolecules. On the other hand, it was widely suggested that there exists water density depletion around large hydrophobic solutes (>1 nm), and this may pose a great challenge to the RISM theory. In this paper, we develop a new analytical theory, the Reference Interaction Site Model with Hydrophobicity induced density Inhomogeneity (RISM-HI), to compute solvent radial distribution function (RDF) around large hydrophobic solute in water as well as its mixture with other polyatomic organic solvents. To achieve this, we have explicitly considered the density inhomogeneity at the solute-solvent interface using the framework of the Yvon-Born-Green hierarchy, and the RISM theory is used to obtain the solute-solvent pair correlation. In order to efficiently solve the relevant equations while maintaining reasonable accuracy, we have also developed a new closure called the D2 closure. With this new theory, the solvent RDFs around a large hydrophobic particle in water and different water-acetonitrile mixtures could be computed, which agree well with the results of the molecular dynamics simulations. Furthermore, we show that our RISM-HI theory can also efficiently compute the solvation free energy of solute with a wide range of hydrophobicity in various water-acetonitrile solvent mixtures with a reasonable accuracy. We anticipate that our theory could be widely applied to compute the thermodynamic and structural properties for the solvation of hydrophobic solute

  5. Fast dose planning Monte Carlo simulations in inhomogeneous phantoms submerged in uniform, static magnetic fields

    International Nuclear Information System (INIS)

    Yanez, R.; Dempsey, J. F.

    2007-01-01

    We present studies in support of the development of a magnetic resonance imaging (MRI) guided intensity modulated radiation therapy (IMRT) device for the treatment of cancer patients. Fast and accurate computation of the absorbed ionizing radiation dose delivered in the presence of the MRI magnetic field are required for clinical implementation. The fast Monte Carlo simulation code DPM, optimized for radiotherapy treatment planning, is modified to simulate absorbed doses in uniform, static magnetic fields, and benchmarked against PENELOPE. Simulations of dose deposition in inhomogeneous phantoms in which a low density material is sandwiched in water shows that a lower MRI field strength (0.3 T) is to prefer in order to avoid dose build-up near material boundaries. (authors)

  6. Echo simulation of lunar penetrating radar: based on a model of inhomogeneous multilayer lunar regolith structure

    International Nuclear Information System (INIS)

    Dai Shun; Su Yan; Xiao Yuan; Feng Jian-Qing; Xing Shu-Guo; Ding Chun-Yu

    2014-01-01

    Lunar Penetrating Radar (LPR) based on the time domain Ultra-Wideband (UWB) technique onboard China's Chang'e-3 (CE-3) rover, has the goal of investigating the lunar subsurface structure and detecting the depth of lunar regolith. An inhomogeneous multi-layer microwave transfer inverse-model is established. The dielectric constant of the lunar regolith, the velocity of propagation, the reflection, refraction and transmission at interfaces, and the resolution are discussed. The model is further used to numerically simulate and analyze temporal variations in the echo obtained from the LPR attached on CE-3's rover, to reveal the location and structure of lunar regolith. The thickness of the lunar regolith is calculated by a comparison between the simulated radar B-scan images based on the model and the detected result taken from the CE-3 lunar mission. The potential scientific return from LPR echoes taken from the landing region is also discussed

  7. Echo simulation of lunar penetrating radar: based on a model of inhomogeneous multilayer lunar regolith structure

    Science.gov (United States)

    Dai, Shun; Su, Yan; Xiao, Yuan; Feng, Jian-Qing; Xing, Shu-Guo; Ding, Chun-Yu

    2014-12-01

    Lunar Penetrating Radar (LPR) based on the time domain Ultra-Wideband (UWB) technique onboard China's Chang'e-3 (CE-3) rover, has the goal of investigating the lunar subsurface structure and detecting the depth of lunar regolith. An inhomogeneous multi-layer microwave transfer inverse-model is established. The dielectric constant of the lunar regolith, the velocity of propagation, the reflection, refraction and transmission at interfaces, and the resolution are discussed. The model is further used to numerically simulate and analyze temporal variations in the echo obtained from the LPR attached on CE-3's rover, to reveal the location and structure of lunar regolith. The thickness of the lunar regolith is calculated by a comparison between the simulated radar B-scan images based on the model and the detected result taken from the CE-3 lunar mission. The potential scientific return from LPR echoes taken from the landing region is also discussed.

  8. 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)

  9. Inhomogeneous Monte Carlo simulation of the vapor-liquid equilibrium of benzene between 300 K and 530 K

    Directory of Open Access Journals (Sweden)

    J.Janeček

    2007-09-01

    Full Text Available The inhomogeneous Monte Carlo technique is used in studying the vapor-liquid interface of benzene in a broad range of temperatures using the TraPPE potential field. The obtained values of the VLE parameters are in good agreement with the experimental values as well as with the results from GEMC simulations. In contrast to the GEMC, within one simulation box the inhomogeneous MC technique also yields information on the structural properties of the interphase between the two phases. The values of the vaporization enthalpy and the vapor pressure very well satisfy the Clausius-Clapeyron equation.

  10. Density-functional theory study of ionic inhomogeneity in metal clusters using SC-ISJM

    Science.gov (United States)

    Payami, Mahmoud; Mahmoodi, Tahereh

    2017-12-01

    In this work we have applied the recently formulated self-compressed inhomogeneous stabilized jellium model [51] to describe the equilibrium electronic and geometric properties of atomic-closed-shell simple metal clusters of AlN (N = 13, 19, 43, 55, 79, 87, 135, 141), NaN, and CsN (N = 9, 15, 27, 51, 59, 65, 89, 113). To validate the results, we have also performed first-principles pseudo-potential calculations and used them as our reference. In the model, we have considered two regions consisting of ;surface; and ;inner; ones, the border separating them being sharp. This generalization makes possible to decouple the relaxations of different parts of the system. The results show that the present model correctly predicts the size reductions seen in most of the clusters. It also predicts increase in size of some clusters, as observed from first-principles results. Moreover, the changes in inter-layer distances, being as contractions or expansions, are in good agreement with the atomic simulation results. For a more realistic description of the properties, it is possible to improve the method of choosing the surface thicknesses or generalize the model to include more regions than just two.

  11. Local density inhomogeneities and dynamics in supercritical water: A molecular dynamics simulation approach.

    Science.gov (United States)

    Skarmoutsos, Ioannis; Samios, Jannis

    2006-11-02

    Molecular dynamics atomistic simulations in the canonical ensemble (NVT-MD) have been used to investigate the "Local Density Inhomogeneities and their Dynamics" in pure supercritical water. The simulations were carried out along a near-critical isotherm (Tr = T/Tc = 1.03) and for a wide range of densities below and above the critical one (0.2 rho(c) - 2.0 rho(c)). The results obtained reveal the existence of significant local density augmentation effects, which are found to be sufficiently larger in comparison to those reported for nonassociated fluids. The time evolution of the local density distribution around each molecule was studied in terms of the appropriate time correlation functions C(Delta)rhol(t). It is found that the shape of these functions changes significantly by increasing the density of the fluid. Finally, the local density reorganization times for the first and second coordination shell derived from these correlations exhibit a decreasing behavior by increasing the density of the system, signifying the density effect upon the dynamics of the local environment around each molecule.

  12. Generation of large-scale vorticity in rotating stratified turbulence with inhomogeneous helicity: mean-field theory

    Science.gov (United States)

    Kleeorin, N.

    2018-06-01

    We discuss a mean-field theory of the generation of large-scale vorticity in a rotating density stratified developed turbulence with inhomogeneous kinetic helicity. We show that the large-scale non-uniform flow is produced due to either a combined action of a density stratified rotating turbulence and uniform kinetic helicity or a combined effect of a rotating incompressible turbulence and inhomogeneous kinetic helicity. These effects result in the formation of a large-scale shear, and in turn its interaction with the small-scale turbulence causes an excitation of the large-scale instability (known as a vorticity dynamo) due to a combined effect of the large-scale shear and Reynolds stress-induced generation of the mean vorticity. The latter is due to the effect of large-scale shear on the Reynolds stress. A fast rotation suppresses this large-scale instability.

  13. Kinetic theory of neutrals in a bounded plasma slab with inhomogeneous temperature and density profile

    International Nuclear Information System (INIS)

    Tendler, M.B.; Agren, O.

    1982-01-01

    The transport of neutral hydrogen atoms in a hydrogen plasma slab is considered. The influence of the inhomogeneous ion temperature profile on the neutral density and distribution is discussed as well as the influence of the neutral edge energy, charge exchange, and ionization rates. The analytical solutions for the neutral density and distribution function are obtained and compared with the numerical results. The effects due to the inhomogeneous temperature profile are discussed. The recommen-dations from the viewpoint of the effects mentioned previously for the purposes of the cold-gas mantle system have been given

  14. Inhomogeneous ordered states and translational nature of the gauge group in the Landau continuum theory: II. Applications of the general theory

    International Nuclear Information System (INIS)

    Braginsky, A. Ya.

    2007-01-01

    A group theory approach to description of phase transitions to an inhomogeneous ordered state, proposed in the preceding paper, is applied to two problems. First, a theory of the state of a liquid-crystalline smectic type-A phase under the action of uniaxial pressure is developed. Second, a model of strengthening in quasicrystals is constructed. According to the proposed approach, the so-called elastic dislocations always appear during the phase transitions in an inhomogeneous deformed state in addition to static dislocations, which are caused by peculiarities of the crystal growth or by other features in the prehistory of a sample. The density of static dislocations weakly depends on the external factors, whereas the density of elastic dislocations depends on the state. An analogy between the proposed theory of the inhomogeneous ordered state and the quantum-field theory of interaction between material fields is considered. On this basis, the phenomenological Ginzburg-Landau equation for the superconducting state is derived using the principle of locality of the transformation properties of the superconducting order parameter with respect to temporal translations

  15. Variation of Bragg curve characteristic induced by changing the position of inhomogeneous material: Geant4 simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Park, So-Hyun; Jung, Won-Gyun; Suh, Tae-Suk [Catholic University, Seoul (Korea, Republic of); Jang, Hong-Seok; Choi, Byeong-Oak [Seoul St. Mary' s Hospital, Seoul (Korea, Republic of); Rah, Jeong-Eun; Park, Sun-Gyong; Lee, Se-Byeong [National Cancer Center, Ilsan (Korea, Republic of)

    2011-02-15

    When proton beam passes through the human body, the stopping power and the depth-dose distribution of the proton are influenced by the relative location among adjacent materials or the difference in material conditions. Our study demonstrates the effect of inhomogeneous materials placed in the Plateau and Bragg peak regions of the Bragg curve in water. We evaluated the Bragg peak position, range, penumbra and integrated doses by using the Geant4 simulation toolkit. The positions of inhomogeneities were selected as the proximal 36% and 50% points of the maximum dose, which indicates the location at entrance regions of the Plateau and the Bragg peak, respectively. Bone (density {rho} = 1.85 g/cm{sup 3}) and adipose tissue (density {rho} = 0.92 g/cm{sup 3}) were selected as inhomogeneous materials. The thickness of each material was varied by 0.1 cm between 0.1 cm and 1.0 cm. In addition, the initial energy of the proton beam was changed in 30 MeV steps between 108 MeV and 220 MeV. The effects of inhomogeneous conditions were performed for various parameters: Bragg peak position, range, penumbra width, full width at half maximum and dose of Bragg curve. A dose perturbation was observed in the region of the Bragg peak and inhomogeneous material, especially, When the bone equivalent material was inserted within the Bragg curve. However, there were no significant variations in the other parameters, except for the dose perturbation depending on the inserted location of each material. This study shows the characteristic changes in the Bragg curve due to inhomogeneous materials.

  16. Heterogeneous nucleation of a droplet pinned at a chemically inhomogeneous substrate: A simulation study of the two-dimensional Ising case

    Science.gov (United States)

    Trobo, Marta L.; Albano, Ezequiel V.; Binder, Kurt

    2018-03-01

    Heterogeneous nucleation is studied by Monte Carlo simulations and phenomenological theory, using the two-dimensional lattice gas model with suitable boundary fields. A chemical inhomogeneity of length b at one boundary favors the liquid phase, while elsewhere the vapor is favored. Switching on the bulk field Hb favoring the liquid, nucleation and growth of the liquid phase starting from the region of the chemical inhomogeneity are analyzed. Three regimes occur: for small fields, Hbbaseline length of the circle-cut sphere droplet would exceed b. For Hbc r i tbaseline has grown to the length b. Assuming that these pinned droplets have a circle cut shape and effective contact angles θeff in the regime θc energy barrier for the "depinning" of the droplet (i.e., growth of θeff to π - θc) vanishes when θeff approaches π/2, in practice only angles θeff up to about θef f m a x≃70 ° were observed. For larger fields (Hb>Hb*), the droplets nucleated at the chemical inhomogeneity grow to the full system size. While the relaxation time for the growth scales as τG∝Hb-1, the nucleation time τN scales as ln τN∝Hb-1. However, the prefactor in the latter relation, as evaluated for our simulations results, is not in accord with an extension of the Volmer-Turnbull theory to two-dimensions, when the theoretical contact angle θc is used.

  17. FDTD simulation of radar cross section reduction by a collisional inhomogeneous magnetized plasma

    Science.gov (United States)

    Foroutan, V.; Azarmanesh, M. N.; Foroutan, G.

    2018-02-01

    The recursive convolution finite difference time domain method is addressed in the scattered field formulation and employed to investigate the bistatic radar cross-section (RCS) of a square conductive plate covered by a collisional inhomogeneous magnetized plasma. The RCS is calculated for two different configurations of the magnetic field, i.e., parallel and perpendicular to the plate. The results of numerical simulations show that, for a perpendicularly applied magnetic field, the backscattered RCS is significantly reduced when the magnetic field intensity coincides with the value corresponding to the electron cyclotron resonance. By increasing the collision frequency, the resonant absorption is suppressed, but due to enhanced wave penetration and bending, the reduction in the bistatic RCS is improved. At very high collision frequencies, the external magnetic field has no significant impact on the bistatic RCS reduction. Application of a parallel magnetic field has an adverse effect near the electron cyclotron resonance and results in a large and asymmetric RCS profile. But, the problem is resolved by increasing the magnetic field and/or the collision frequency. By choosing proper values of the collision frequency and the magnetic field intensity, a perpendicular magnetic field can be effectively used to reduce the bistatic RCS of a conductive plate.

  18. SIMULATING THE TIMESCALE-DEPENDENT COLOR VARIATION IN QUASARS WITH A REVISED INHOMOGENEOUS DISK MODEL

    Energy Technology Data Exchange (ETDEWEB)

    Cai, Zhen-Yi; Wang, Jun-Xian; Sun, Yu-Han; Wu, Mao-Chun; Huang, Xing-Xing; Chen, Xiao-Yang [CAS Key Laboratory for Researches in Galaxies and Cosmology, University of Science and Technology of China, Chinese Academy of Sciences, Hefei, Anhui 230026 (China); Gu, Wei-Min, E-mail: zcai@ustc.edu.cn, E-mail: jxw@ustc.edu.cn [Department of Astronomy and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen, Fujian 361005 (China)

    2016-07-20

    The UV–optical variability of active galactic nuclei and quasars is useful for understanding the physics of the accretion disk and is gradually being attributed to stochastic fluctuations over the accretion disk. Quasars generally appear bluer when they brighten in the UV–optical bands; the nature of this phenomenon remains controversial. Recently, Sun et al. discovered that the color variation of quasars is timescale-dependent, in the way that faster variations are even bluer than longer term ones. While this discovery can directly rule out models that simply attribute the color variation to contamination from the host galaxies, or to changes in the global accretion rates, it favors the stochastic disk fluctuation model as fluctuations in the inner-most hotter disk could dominate the short-term variations. In this work, we show that a revised inhomogeneous disk model, where the characteristic timescales of thermal fluctuations in the disk are radius-dependent (i.e., τ ∼ r ; based on that originally proposed by Dexter and Agol), can reproduce well a timescale-dependent color variation pattern, similar to the observed one and unaffected by the uneven sampling and photometric error. This demonstrates that one may statistically use variation emission at different timescales to spatially resolve the accretion disk in quasars, thus opening a new window with which to probe and test the accretion disk physics in the era of time domain astronomy. Caveats of the current model, which ought to be addressed in future simulations, are discussed.

  19. Comparison of three-dimensional poisson solution methods for particle-based simulation and inhomogeneous dielectrics.

    Science.gov (United States)

    Berti, Claudio; Gillespie, Dirk; Bardhan, Jaydeep P; Eisenberg, Robert S; Fiegna, Claudio

    2012-07-01

    Particle-based simulation represents a powerful approach to modeling physical systems in electronics, molecular biology, and chemical physics. Accounting for the interactions occurring among charged particles requires an accurate and efficient solution of Poisson's equation. For a system of discrete charges with inhomogeneous dielectrics, i.e., a system with discontinuities in the permittivity, the boundary element method (BEM) is frequently adopted. It provides the solution of Poisson's equation, accounting for polarization effects due to the discontinuity in the permittivity by computing the induced charges at the dielectric boundaries. In this framework, the total electrostatic potential is then found by superimposing the elemental contributions from both source and induced charges. In this paper, we present a comparison between two BEMs to solve a boundary-integral formulation of Poisson's equation, with emphasis on the BEMs' suitability for particle-based simulations in terms of solution accuracy and computation speed. The two approaches are the collocation and qualocation methods. Collocation is implemented following the induced-charge computation method of D. Boda et al. [J. Chem. Phys. 125, 034901 (2006)]. The qualocation method is described by J. Tausch et al. [IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems 20, 1398 (2001)]. These approaches are studied using both flat and curved surface elements to discretize the dielectric boundary, using two challenging test cases: a dielectric sphere embedded in a different dielectric medium and a toy model of an ion channel. Earlier comparisons of the two BEM approaches did not address curved surface elements or semiatomistic models of ion channels. Our results support the earlier findings that for flat-element calculations, qualocation is always significantly more accurate than collocation. On the other hand, when the dielectric boundary is discretized with curved surface elements, the

  20. 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.

  1. Numerical simulation of MHD flows in inhomogeneous and instationary magnetic fields

    International Nuclear Information System (INIS)

    Ehrhard, Sebastian

    2016-01-01

    In this work, I develop a numerical model for magnetohydrodynamic flows in unsteady an inhomogeneous flow. The model is implemented in the finite-volume based CFD-code OpenFOAM. Some verification and validation tests are made on several standard problems of magnetohydrodynamics. Finally I successful modelled an electromagnetic flowmeter with the code.

  2. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    International Nuclear Information System (INIS)

    Wu, Wei; Wang, Jin

    2014-01-01

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series

  3. Dynamics of weakly inhomogeneous oscillator populations: perturbation theory on top of Watanabe-Strogatz integrability

    Science.gov (United States)

    Vlasov, Vladimir; Rosenblum, Michael; Pikovsky, Arkady

    2016-08-01

    As has been shown by Watanabe and Strogatz (WS) (1993 Phys. Rev. Lett. 70 2391), a population of identical phase oscillators, sine-coupled to a common field, is a partially integrable system: for any ensemble size its dynamics reduce to equations for three collective variables. Here we develop a perturbation approach for weakly nonidentical ensembles. We calculate corrections to the WS dynamics for two types of perturbations: those due to a distribution of natural frequencies and of forcing terms, and those due to small white noise. We demonstrate that in both cases, the complex mean field for which the dynamical equations are written is close to the Kuramoto order parameter, up to the leading order in the perturbation. This supports the validity of the dynamical reduction suggested by Ott and Antonsen (2008 Chaos 18 037113) for weakly inhomogeneous populations.

  4. Dynamics of weakly inhomogeneous oscillator populations: perturbation theory on top of Watanabe–Strogatz integrability

    International Nuclear Information System (INIS)

    Vlasov, Vladimir; Rosenblum, Michael; Pikovsky, Arkady

    2016-01-01

    As has been shown by Watanabe and Strogatz (WS) (1993 Phys. Rev. Lett. 70 2391), a population of identical phase oscillators, sine-coupled to a common field, is a partially integrable system: for any ensemble size its dynamics reduce to equations for three collective variables. Here we develop a perturbation approach for weakly nonidentical ensembles. We calculate corrections to the WS dynamics for two types of perturbations: those due to a distribution of natural frequencies and of forcing terms, and those due to small white noise. We demonstrate that in both cases, the complex mean field for which the dynamical equations are written is close to the Kuramoto order parameter, up to the leading order in the perturbation. This supports the validity of the dynamical reduction suggested by Ott and Antonsen (2008 Chaos 18 037113) for weakly inhomogeneous populations. (letter)

  5. Unified theory of damping of linear surface Alfven waves in inhomogeneous incompressible plasmas

    International Nuclear Information System (INIS)

    Ruderman, M.S.; Goossens, M.

    1996-01-01

    The viscous damping of surface Alfven waves in a non-uniform plasma is studied in the context of linear and incompressible MHD. It is shown that damping due to resonant absorption and damping on a true discontinuity are two limiting cases of the continuous variation of the damping rate with respect to the dimensionless number Rg = Δλ 2 Re, where Δ is the relative variation of the local Alfven velocity, λ is the ratio of the thickness of the inhomogeneous layer to the wavelength, and Re is the viscous Reynolds number. The analysis is restricted to waves with wavelengths that are long in comparison with the extent of the non-uniform layer (λ '' >'' 1) values of Rg. For very small values of Rg, the damping rate agrees with that found for a true discontinuity, while for very large values of Rg, it agrees with the damping rate due to resonant absorption. The dispersion relation is subsequently studied numerically over a wide range of values of Rg, revealing a continuous but non-monotonic variation of the damping rate with respect to Rg. (Author)

  6. A variational theory for frictional flow of fluids in inhomogeneous porous systems

    Energy Technology Data Exchange (ETDEWEB)

    Sieniutycz, Stanislaw [Faculty of Chemical Engineering, Warsaw University of Technology, 00-645 Warsaw, 1 Warynskiego Street (Poland)

    2007-04-15

    For nonlinear steady paths of a fluid in an inhomogeneous isotropic porous medium a Fermat-like principle of minimum time is formulated which shows that the fluid streamlines are curved by a location dependent hydraulic conductivity. The principle describes an optimal nature of nonlinear paths in steady Darcy's flows of fluids. An expression for the total resistance of the path leads to a basic analytical formula for an optimal shape of a steady trajectory. In the physical space an optimal curved path ensures the maximum flux or shortest transition time of the fluid through the porous medium. A sort of 'law of bending' holds for the frictional fluid flux in Lagrange coordinates. This law shows that - by minimizing the total resistance - a ray spanned between two given points takes the shape assuring that its relatively large part resides in the region of lower flow resistance (a 'rarer' region of the medium). Analogies and dissimilarities with other systems (e.g. optical or thermal ones) are also discussed. (author)

  7. Influence of B{sub 1}-inhomogeneity on pharmacokinetic modeling of dynamic contrast-enhanced MRI: A simulation study

    Energy Technology Data Exchange (ETDEWEB)

    Park, Bun Woo [Dept. of Radiology, Research Institute of Radiology, Asan Medical Center, University of Ulsan College of Medicine, Seoul (Korea, Republic of); Choi, Byung Se [Dept. of Radiology, Seoul National University College of Medicine, Seoul National University Bundang Hospital, Seongnam (Korea, Republic of); and others

    2017-08-01

    To simulate the B1-inhomogeneity-induced variation of pharmacokinetic parameters on dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI). B1-inhomogeneity-induced flip angle (FA) variation was estimated in a phantom study. Monte Carlo simulation was performed to assess the FA-deviation-induced measurement error of the pre-contrast R1, contrast-enhancement ratio, Gd-concentration, and two-compartment pharmacokinetic parameters (Ktrans, ve, and vp). B1-inhomogeneity resulted in −23–5% fluctuations (95% confidence interval [CI] of % error) of FA. The 95% CIs of FA-dependent % errors in the gray matter and blood were as follows: −16.7–61.8% and −16.7–61.8% for the pre-contrast R1, −1.0–0.3% and −5.2–1.3% for the contrast-enhancement ratio, and −14.2–58.1% and −14.1–57.8% for the Gd-concentration, respectively. These resulted in −43.1–48.4% error for Ktrans, −32.3–48.6% error for the ve, and −43.2–48.6% error for vp. The pre-contrast R1 was more vulnerable to FA error than the contrast-enhancement ratio, and was therefore a significant cause of the Gd-concentration error. For example, a −10% FA error led to a 23.6% deviation in the pre-contrast R1, −0.4% in the contrast-enhancement ratio, and 23.6% in the Gd-concentration. In a simulated condition with a 3% FA error in a target lesion and a −10% FA error in a feeding vessel, the % errors of the pharmacokinetic parameters were −23.7% for Ktrans, −23.7% for ve, and −23.7% for vp. Even a small degree of B1-inhomogeneity can cause a significant error in the measurement of pharmacokinetic parameters on DCE-MRI, while the vulnerability of the pre-contrast R1 calculations to FA deviations is a significant cause of the miscalculation.

  8. Multicolour Observations, Inhomogeneity & Evolution

    OpenAIRE

    Hellaby, Charles

    2000-01-01

    We propose a method of testing source evolution theories that is independent of the effects of inhomogeneity, and thus complementary to other studies of evolution. It is suitable for large scale sky surveys, and the new generation of large telescopes. In an earlier paper it was shown that basic cosmological observations - luminosity versus redshift, area distance versus redshift and number counts versus redshift - cannot separate the effects of cosmic inhomogeneity, cosmic evolution and sourc...

  9. 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.

  10. Asymptotic study and numerical simulation of laser wave propagation in an inhomogeneous medium; Etude asymptotique et simulation numerique de la propagation laser en milieu inhomogene

    Energy Technology Data Exchange (ETDEWEB)

    Doumic, M

    2005-05-15

    To simulate the propagation of a monochromatic laser beam in a medium, we use the paraxial approximation of the Klein-Gordon (in the time-varying problem) and of the Maxwell (in the non time-depending case) equations. In a first part, we make an asymptotic analysis of the Klein-Gordon equation. We obtain approximated problems, either of Schroedinger or of transport-Schroedinger type. We prove the existence and uniqueness of a solution for these problems, and estimate the difference between it and the exact solution of the Klein-Gordon equation. In a second part, we study the boundary problem for the advection Schroedinger equation, and show what the boundary condition must be so that the problem on our domain should be the restriction of the problem in the whole space: such a condition is called a transparent or an absorbing boundary condition. In a third part, we use the preceding results to build a numerical resolution method, for which we prove stability and show some simulations. (author)

  11. The problem of radioactive contamination inhomogeneity and simulation of the transport of radionuclides through agroecosystems

    International Nuclear Information System (INIS)

    Girij, V.A.; Shpinar, L.I.; Yaskovets, I.I.; Zaitov, V.R.; Hille, R.

    1997-01-01

    The analyses of the measurement data on the territory of the Ukrainian Polesie region carried out by the Research Centre Juelich and the Ukrainian Institute of Radioecology shows that there is a high degree of inhomogeneity for the contamination pattern, they transfer from soil to the biosphere and for the food consumption. Therefore, a deterministic environmental assessment model may not be convenient because most processes are not known in detailed. In this situation a probabilistic approach seems to be more promising. In this report presented a dynamic model for the transfer of radioactivity in terrestrial food chains that fit to the regionally conditions and agricultural practice. The living organism will be treated as dynamic system subject to random action of radioactivity. This system is described by stochastic differential equations of Langevene's type. Starting from this base we calculated a distribution function of radionuclide body burdens for inhabitant ensembles under the assumptions that entering of activity into organisms is a random temporary function that can be approximated by certain impulse Poison processes. A comparison of calculated distribution function is carried out with measurement results of internal body burden. It shown a satisfactory description of the real situation found for four investigated villages of Ukrainian Polesie region (Olevsk, Narodichi, Vezhitsa and Stare Selo) that were characterized by different degree of contamination and different degree of inhomogeneity

  12. Simulation study on the behavior of X-rays and gamma rays in an inhomogeneous medium using the Monte Carlo technique

    International Nuclear Information System (INIS)

    Murase, Kenya; Kataoka, Masaaki; Kawamura, Masashi; Tamada, Shuji; Hamamoto, Ken

    1989-01-01

    A computer program based on the Monte Carlo technique was developed for the analysis of the behavior of X-rays and gamma rays in an inhomogeneous medium. The statistical weight of a photon was introduced and the survival biasing method was used for reducing the statistical error. This computer program has the mass energy absorption and attenuation coefficients for 69 tissues and organs as a database file, and can be applied to various cases of inhomogeneity. The simulation and experimental results of the central axis percent-depth dose in an inhomogeneous phantom were in good agreement. This computer program will be useful for analysis on the behavior of X-rays and gamma rays in an inhomogeneous medium consisting of various tissues and organs, not only in radiotherapy treatment planning but also in diagnostic radiology and in the field treating radiation protection. (author)

  13. Incorporation of Three-dimensional Radiative Transfer into a Very High Resolution Simulation of Horizontally Inhomogeneous Clouds

    Science.gov (United States)

    Ishida, H.; Ota, Y.; Sekiguchi, M.; Sato, Y.

    2016-12-01

    A three-dimensional (3D) radiative transfer calculation scheme is developed to estimate horizontal transport of radiation energy in a very high resolution (with the order of 10 m in spatial grid) simulation of cloud evolution, especially for horizontally inhomogeneous clouds such as shallow cumulus and stratocumulus. Horizontal radiative transfer due to inhomogeneous clouds seems to cause local heating/cooling in an atmosphere with a fine spatial scale. It is, however, usually difficult to estimate the 3D effects, because the 3D radiative transfer often needs a large resource for computation compared to a plane-parallel approximation. This study attempts to incorporate a solution scheme that explicitly solves the 3D radiative transfer equation into a numerical simulation, because this scheme has an advantage in calculation for a sequence of time evolution (i.e., the scene at a time is little different from that at the previous time step). This scheme is also appropriate to calculation of radiation with strong absorption, such as the infrared regions. For efficient computation, this scheme utilizes several techniques, e.g., the multigrid method for iteration solution, and a correlated-k distribution method refined for efficient approximation of the wavelength integration. For a case study, the scheme is applied to an infrared broadband radiation calculation in a broken cloud field generated with a large eddy simulation model. The horizontal transport of infrared radiation, which cannot be estimated by the plane-parallel approximation, and its variation in time can be retrieved. The calculation result elucidates that the horizontal divergences and convergences of infrared radiation flux are not negligible, especially at the boundaries of clouds and within optically thin clouds, and the radiative cooling at lateral boundaries of clouds may reduce infrared radiative heating in clouds. In a future work, the 3D effects on radiative heating/cooling will be able to be

  14. Experiments, modeling and simulation of the magnetic behavior of inhomogeneously coated nickel/aluminum hybrid foams

    Energy Technology Data Exchange (ETDEWEB)

    Jung, A., E-mail: anne.jung@mx.uni-saarland.de [Universität des Saarlandes, Institute of Applied Mechanics, Campus A4 2, 66123 Saarbrücken (Germany); Klis, D., E-mail: d.klis@lte.uni-saarland.de [Universität des Saarlandes, Laboratory for Electromagnetic Theory, Campus C6 3, 66123 Saarbrücken (Germany); Goldschmidt, F., E-mail: f.goldschmidt@mx.uni-saarland.de [Universität des Saarlandes, Institute of Applied Mechanics, Campus A4 2, 66123 Saarbrücken (Germany)

    2015-03-15

    Open-cell metal foams are used as lightweight construction elements, energy absorbers or as support for catalytic coatings. Coating of open-cell metal foams is not only used for catalytic applications, but it leads also to tremendous increase in stiffness and energy absorption capacity. A non-line of sight coating technique for complex 3D structures is electrodeposition. Unfortunately, due to the 3D porosity and the related problems in mass transport limitation during the deposition, it is not possible to produce homogeneously coated foams. In the present contribution, we present a semi-non-destructive technique applicable to determine the coating thickness distribution of magnetic coatings by measuring the remanent magnetic field of coated foams. In order to have a closer look at the mass transport mechanism, a numerical model was developed to predict the field scans for different coating thickness distributions in the foams. For long deposition times the deposition reaches a steady state whereas a Helmholtz equation is sufficient to predict the coating thickness distribution. The applied current density could be identified as the main influencing parameter. Based on the developed model, it is possible to improve the electrodeposition process and hence the homogeneity in the coating thickness of coated metal foams. This leads to enhanced mechanical properties of the hybrid foams and contributes to better and resource-efficient energy absorbers and lightweight materials. - Highlights: • Production of hybrid foams by electrodeposition of nickel on open-cell metal foams. • Magnetic field scans for visualization of spatial coating thickness distribution. • Modeling of magnetic fields of inhomogeneously coated hybrid foams. • Investigation of mass transport limitation during coating by a Helmholtz equation. • Increasing coating homogeneity by use of low current densities and deposition rates.

  15. 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...

  16. Instabilities in inhomogeneous plasma

    International Nuclear Information System (INIS)

    Mikhailovsky, A.B.

    1983-01-01

    The plasma inhomogeneity across the magnetic field causes a wide class of instabilities which are called instabilities of an inhomogeneous plasma or gradient instabilities. The instabilities that can be studied in the approximation of a magnetic field with parallel straight field lines are treated first, followed by a discussion of the influence of shear on these instabilities. The instabilities of a weakly inhomogeneous plasma with the Maxwellian velocity distribution of particles caused by the density and temperature gradients are often called drift instabilities, and the corresponding types of perturbations are the drift waves. An elementary theory of drift instabilities is presented, based on the simplest equations of motion of particles in the field of low-frequency and long-wavelength perturbations. Following that is a more complete theory of inhomogeneous collisionless plasma instabilities which uses the permittivity tensor and, in the case of electrostatic perturbations, the scalar of permittivity. The results are used to study the instabilities of a strongly inhomogeneous plasma. The instabilities of a plasma in crossed fields are discussed and the electromagnetic instabilities of plasma with finite and high pressure are described. (Auth.)

  17. Modeling and simulation of water flow on containment walls with inhomogeneous contact angle distribution

    International Nuclear Information System (INIS)

    Amend, Katharina; Klein, Markus

    2017-01-01

    The paper presents a three-dimensional numerical simulation for water running down inclined surfaces using OpenFOAM. This research project aims at developing a CFD model to describe the run down behavior of liquids and the resulting wash down of fission products on surfaces in the reactor containment. An empirical contact angle model with wetted history is introduced as well as a filtered randomized initial contact angle field. Simulation results are in good agreement with the experiments. Experimental Investigation on Passive.

  18. Modeling and simulation of water flow on containment walls with inhomogeneous contact angle distribution

    Energy Technology Data Exchange (ETDEWEB)

    Amend, Katharina; Klein, Markus [Univ. der Bundeswehr Muenchen, Neubiberg (Germany). Inst. for Numerical Methods in Aerospace Engineering

    2017-07-15

    The paper presents a three-dimensional numerical simulation for water running down inclined surfaces using OpenFOAM. This research project aims at developing a CFD model to describe the run down behavior of liquids and the resulting wash down of fission products on surfaces in the reactor containment. An empirical contact angle model with wetted history is introduced as well as a filtered randomized initial contact angle field. Simulation results are in good agreement with the experiments. Experimental Investigation on Passive.

  19. Polarimetric imaging of turbid inhomogeneous slab media based on backscattering using a pencil beam for illumination: Monte Carlo simulation

    Science.gov (United States)

    Otsuki, Soichi

    2018-04-01

    Polarimetric imaging of absorbing, strongly scattering, or birefringent inclusions is investigated in a negligibly absorbing, moderately scattering, and isotropic slab medium. It was proved that the reduced effective scattering Mueller matrix is exactly calculated from experimental or simulated raw matrices even if the medium is anisotropic and/or heterogeneous, or the outgoing light beam exits obliquely to the normal of the slab surface. The calculation also gives a reasonable approximation of the reduced matrix using a light beam with a finite diameter for illumination. The reduced matrix was calculated using a Monte Carlo simulation and was factorized in two dimensions by the Lu-Chipman polar decomposition. The intensity of backscattered light shows clear and modestly clear differences for absorbing and strongly scattering inclusions, respectively, whereas it shows no difference for birefringent inclusions. Conversely, some polarization parameters, for example, the selective depolarization coefficients exhibit only a slight difference for the absorbing inclusions, whereas they showed clear difference for the strongly scattering or birefringent inclusions. Moreover, these quantities become larger with increasing the difference in the optical properties of the inclusions relative to the surrounding medium. However, it is difficult to recognize inclusions that buried at the depth deeper than 3 mm under the surface. Thus, the present technique can detect the approximate shape and size of these inclusions, and considering the depth where inclusions lie, estimate their optical properties. This study reveals the possibility of the polarization-sensitive imaging of turbid inhomogeneous media using a pencil beam for illumination.

  20. 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

  1. Direct Numerical Simulations of NOx formation in spatially developing turbulent premixed Bunsen flames with mixture inhomogeneity

    KAUST Repository

    Luca, Stefano; Attili, Antonio; Bisetti, Fabrizio

    2017-01-01

    have a partially premixed inlet that mimic a common injection strategy in stationary gas turbines. The jet consist of a methane/air mixture with global equivalence ratio ɸ = 0.7 and temperature of 800 K. The simulations are performed at 4 atm. The inlet

  2. Direct Numerical Simulations of NOx formation in spatially developing turbulent premixed Bunsen flames with mixture inhomogeneity

    KAUST Repository

    Luca, Stefano

    2017-01-05

    Direct Numerical Simulation of three-dimensional spatially developing turbulent methane/air flames are performed. Four flames are simulated; they differ for the level of premixing of the fuel inlet: one has a fully premixed inlet, the other three have a partially premixed inlet that mimic a common injection strategy in stationary gas turbines. The jet consist of a methane/air mixture with global equivalence ratio ɸ = 0.7 and temperature of 800 K. The simulations are performed at 4 atm. The inlet velocity field and the fuel/air fields were extracted from a fully developed turbulent channel simulation. Chemistry is treated with a new skeletal chemical mechanism consisting of 33 species developed specifically for the DNS. The data are analyzed to study possible influences of partial premixing on the flame structure and the combustion efficiency. The results show that increasing the level of partial premixing, the fluctuations of heat release rate increase, due to the richer and leaner pockets of mixture in the flame, while the conditional mean decreases. Increasing the level of partial premixing, the peak of NO and the range of NO values for a given temperature increase. An analysis of NO production is performed categorizing the different initiation steps in the Ndecomposition through four pathways: thermal, prompt, NNH and NO. Different behaviour with respect to laminar flames is found for the NNH pathway suggesting that turbulence influences this pathway of formation of NO.

  3. 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.

  4. Reynolds-averaged Navier-Stokes and Large-Eddy Simulation Over and Inside Inhomogeneous Forests

    DEFF Research Database (Denmark)

    Boudreault, Louis-Etienne

    the performance of wind models in such environment.A systematic method to acquire gridded input of canopy structure from aircraft based LiDAR scans of heterogeneous forests is defined. An extensive validation against ground-based measurements of the vertically summed frontal area density(or plant area index......) and tree height is performed. The method is optimized both in terms of plant area index magnitude and spatial variability. A forest grid is generated from the LiDAR method using airplane scans of a 5×5 km2 forested site in Sweden. The grid serves as the basis for Reynolds-averaged Navier-Stokes (RANS......) simulations. Wind observations from an instrumented mast are used for validation where a good correlation is found for the mean wind speed of two contrasting wind directions with different influences from the upstream forest. The effects of successive simplifications of the forest representation show...

  5. Simulation of Ultrasonic Beam Focusing on a Defect in Anisotropic, Inhomogeneous Media

    International Nuclear Information System (INIS)

    Jeong, Hyun Jo; Cho, Sung Jong; Erdenetuya, Sharaa; Jung, Duck Yong

    2011-01-01

    In ultrasonic testing of dissimilar metal welds, application of phased array technique in terms of incident beam focusing is not easy because of complicated material structures formed during the multi-pass welding process. Time reversal(TR) techniques can overcome some limitations of phased array since they are self-focusing that does not depend on the geometrical and physical properties of testing components. In this paper, we test the possibility of TR focusing on a defect within anisotropic, heterogeneous austenitic welds. A commercial simulation software is employed for TR focusing and imaging of a side-drilled hole. The performance of time reversed adaptive focal law is compared with those of calculated focal laws for both anisotropic and isotropic welds

  6. 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

  7. 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...

  8. Inhomogeneous superconductors

    International Nuclear Information System (INIS)

    Tinkham, M.

    1978-01-01

    The coherence length xi and penetration depth lambda set the characteristic length scales in superconductors, typically 100 to 5,000 A. A lattice of flux lines, each carrying a single quantum, can penetrate type II superconductors, i.e., those for which kappa identical with lambda/xi > 1/√2. Inhomogeneities on the scale of the flux lattice spacing are required to pin the lattice to prevent dissipative flux motion. Recent work using voids as pinning centers has demonstrated this principle, but practical materials rely on cold-work, inclusions of second phases, etc., to provide the inhomogeneity. For stability against thermal fluctuations, the superconductor should have the form of many filaments of diameter 10 to 100 μm imbedded in a highly conductive normal metal matrix. Such wire is made by drawing down billets of copper containing rods of the superconductor. An alternative approach is the metallurgical one of Tsuei, which leads to thousands of superconducting filamentary segments in a copper matrix. The superconducting proximity effect causes the whole material to superconduct at low current densities. At high current densities, the range of the proximity effect is reduced so that the effective superconducting volume fraction falls below the percolation threshold, and a finite resistance arises from the copper matrix. But, because of the extremely elongated filaments, this resistance is orders of magnitude lower than that of the normal wire, and low enough to permit the possibility of technical applications

  9. 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.

  10. A study of the dosimetry of small field photon beams used in intensity modulated radiation therapy in inhomogeneous media: Monte Carlo simulations, and algorithm comparisons and corrections

    International Nuclear Information System (INIS)

    Jones, Andrew Osler

    2004-01-01

    There is an increasing interest in the use of inhomogeneity corrections for lung, air, and bone in radiotherapy treatment planning. Traditionally, corrections based on physical density have been used. Modern algorithms use the electron density derived from CT images. Small fields are used in both conformal radiotherapy and IMRT, however, their beam characteristics in inhomogeneous media have not been extensively studied. This work compares traditional and modern treatment planning algorithms to Monte Carlo simulations in and near low-density inhomogeneities. Field sizes ranging from 0.5 cm to 5 cm in diameter are projected onto a phantom containing inhomogeneities and depth dose curves are compared. Comparisons of the Dose Perturbation Factors (DPF) are presented as functions of density and field size. Dose Correction Factors (DCF), which scale the algorithms to the Monte Carlo data, are compared for each algorithm. Physical scaling algorithms such as Batho and Equivalent Pathlength (EPL) predict an increase in dose for small fields passing through lung tissue, where Monte Carlo simulations show a sharp dose drop. The physical model-based collapsed cone convolution (CCC) algorithm correctly predicts the dose drop, but does not accurately predict the magnitude. Because the model-based algorithms do not correctly account for the change in backscatter, the dose drop predicted by CCC occurs farther downstream compared to that predicted by the Monte Carlo simulations. Beyond the tissue inhomogeneity all of the algorithms studied predict dose distributions in close agreement with Monte Carlo simulations. Dose-volume relationships are important in understanding the effects of radiation to the lung. The dose within the lung is affected by a complex function of beam energy, lung tissue density, and field size. Dose algorithms vary in their abilities to correctly predict the dose to the lung tissue. A thorough analysis of the effects of density, and field size on dose to the

  11. 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.…

  12. 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

  13. 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)

  14. 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...

  15. 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 ...

  16. 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

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. Inhomogeneous compact extra dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Bronnikov, K.A. [Center of Gravity and Fundamental Metrology, VNIIMS, 46 Ozyornaya st., Moscow 119361 (Russian Federation); Budaev, R.I.; Grobov, A.V.; Dmitriev, A.E.; Rubin, Sergey G., E-mail: kb20@yandex.ru, E-mail: buday48@mail.ru, E-mail: alexey.grobov@gmail.com, E-mail: alexdintras@mail.ru, E-mail: sergeirubin@list.ru [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), 115409 Moscow (Russian Federation)

    2017-10-01

    We show that an inhomogeneous compact extra space possesses two necessary features— their existence does not contradict the observable value of the cosmological constant Λ{sub 4} in pure f ( R ) theory, and the extra dimensions are stable relative to the 'radion mode' of perturbations, the only mode considered. For a two-dimensional extra space, both analytical and numerical solutions for the metric are found, able to provide a zero or arbitrarily small Λ{sub 4}. A no-go theorem has also been proved, that maximally symmetric compact extra spaces are inconsistent with 4D Minkowski space in the framework of pure f ( R ) gravity.

  3. SU-F-T-62: Three-Dimensional Dosimetric Gamma Analysis for Impacts of Tissue Inhomogeneity Using Monte Carlo Simulation in Intracavitary Brachytheray for Cervix Carcinoma

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Tran Thi Thao; Nakamoto, Takahiro; Shibayama, Yusuke [Graduate School of Medical Sciences, Kyushu University (Japan); Arimura, Hidetaka [Faculty of Medical Sciences, Kyushu University (Japan); Oku, Yoshifumi [Kagoshima University Hospital (Japan); Yoshiura, Takashi [Graduate School of Diagnostic Radiotherapy, Kagoshima University (Japan)

    2016-06-15

    Purpose: The aim of this study was to investigate the impacts of tissue inhomogeneity on dose distributions using a three-dimensional (3D) gamma analysis in cervical intracavitary brachytherapy using Monte Carlo (MC) simulations. Methods: MC simulations for comparison of dose calculations were performed in a water phantom and a series of CT images of a cervical cancer patient (stage: Ib; age: 27) by employing a MC code, Particle and Heavy Ion Transport Code System (PHIT) version 2.73. The {sup 192}Ir source was set at fifteen dwell positions, according to clinical practice, in an applicator consisting of a tandem and two ovoids. Dosimetric comparisons were performed for the dose distributions in the water phantom and CT images by using gamma index image and gamma pass rate (%). The gamma index is the minimum Euclidean distance between two 3D spatial dose distributions of the water phantom and CT images in a same space. The gamma pass rates (%) indicate the percentage of agreement points, which mean that two dose distributions are similar, within an acceptance criteria (3 mm/3%). The volumes of physical and clinical interests for the gamma analysis were a whole calculated volume and a region larger than t% of a dose (close to a target), respectively. Results: The gamma pass rates were 77.1% for a whole calculated volume and 92.1% for a region within 1% dose region. The differences of 7.7% to 22.9 % between two dose distributions in the water phantom and CT images were found around the applicator region and near the target. Conclusion: This work revealed the large difference on the dose distributions near the target in the presence of the tissue inhomogeneity. Therefore, the tissue inhomogeneity should be corrected in the dose calculation for clinical treatment.

  4. Reconstruction from scalar-tensor theory and the inhomogeneous equation of state in f(T) gravity

    Energy Technology Data Exchange (ETDEWEB)

    Said, Jackson Levi [University of Malta, Institute of Space Sciences and Astronomy, Msida (Malta); University of Malta, Department of Physics, Msida (Malta)

    2017-12-15

    General relativity (GR) characterizes gravity as a geometric properly exhibited as curvature on spacetime. Teleparallelism describes gravity through torsional properties, and can reproduce GR at the level of equations. Similar to f(R) gravity, on taking a generalization, f(T) gravity can produce various modifications its gravitational mechanism. The resulting field equations are inherently distinct to f(R) gravity in that they are second order. In the present work, f(T) gravity is examined in the cosmological context with a number of solutions reconstructed by means of an auxiliary scalar field. To do this, various forms of the Hubble parameter are considered with an f(T) Lagrangian emerging for each instance. In addition, the inhomogeneous equation of state (EoS) is investigated with a particular Hubble parameter model used to show how this can be used to reconstruct the f(T) Lagrangian. Observationally, the auxiliary scalar field and the exotic terms in the FRW field equations give the same results, meaning that the variation in the Hubble parameter may be interpreted as the need to reformulate gravity in some way, as in f(T) gravity. (orig.)

  5. Reconstruction from scalar-tensor theory and the inhomogeneous equation of state in f(T) gravity

    International Nuclear Information System (INIS)

    Said, Jackson Levi

    2017-01-01

    General relativity (GR) characterizes gravity as a geometric properly exhibited as curvature on spacetime. Teleparallelism describes gravity through torsional properties, and can reproduce GR at the level of equations. Similar to f(R) gravity, on taking a generalization, f(T) gravity can produce various modifications its gravitational mechanism. The resulting field equations are inherently distinct to f(R) gravity in that they are second order. In the present work, f(T) gravity is examined in the cosmological context with a number of solutions reconstructed by means of an auxiliary scalar field. To do this, various forms of the Hubble parameter are considered with an f(T) Lagrangian emerging for each instance. In addition, the inhomogeneous equation of state (EoS) is investigated with a particular Hubble parameter model used to show how this can be used to reconstruct the f(T) Lagrangian. Observationally, the auxiliary scalar field and the exotic terms in the FRW field equations give the same results, meaning that the variation in the Hubble parameter may be interpreted as the need to reformulate gravity in some way, as in f(T) gravity. (orig.)

  6. Casimir stress in an inhomogeneous medium

    International Nuclear Information System (INIS)

    Philbin, T.G.; Xiong, C.; Leonhardt, U.

    2010-01-01

    The Casimir effect in an inhomogeneous dielectric is investigated using Lifshitz's theory of electromagnetic vacuum energy. A permittivity function that depends continuously on one Cartesian coordinate is chosen, bounded on each side by homogeneous dielectrics. The result for the Casimir stress is infinite everywhere inside the inhomogeneous region, a divergence that does not occur for piece-wise homogeneous dielectrics with planar boundaries. A Casimir force per unit volume can be extracted from the infinite stress but it diverges on the boundaries between the inhomogeneous medium and the homogeneous dielectrics. An alternative regularization of the vacuum stress is considered that removes the contribution of the inhomogeneity over small distances, where macroscopic electromagnetism is invalid. The alternative regularization yields a finite Casimir stress inside the inhomogeneous region, but the stress and force per unit volume diverge on the boundaries with the homogeneous dielectrics. The case of inhomogeneous dielectrics with planar boundaries thus falls outside the current understanding of the Casimir effect.

  7. A multi-species exchange model for fully fluctuating polymer field theory simulations.

    Science.gov (United States)

    Düchs, Dominik; Delaney, Kris T; Fredrickson, Glenn H

    2014-11-07

    Field-theoretic models have been used extensively to study the phase behavior of inhomogeneous polymer melts and solutions, both in self-consistent mean-field calculations and in numerical simulations of the full theory capturing composition fluctuations. The models commonly used can be grouped into two categories, namely, species models and exchange models. Species models involve integrations of functionals that explicitly depend on fields originating both from species density operators and their conjugate chemical potential fields. In contrast, exchange models retain only linear combinations of the chemical potential fields. In the two-component case, development of exchange models has been instrumental in enabling stable complex Langevin (CL) simulations of the full complex-valued theory. No comparable stable CL approach has yet been established for field theories of the species type. Here, we introduce an extension of the exchange model to an arbitrary number of components, namely, the multi-species exchange (MSE) model, which greatly expands the classes of soft material systems that can be accessed by the complex Langevin simulation technique. We demonstrate the stability and accuracy of the MSE-CL sampling approach using numerical simulations of triblock and tetrablock terpolymer melts, and tetrablock quaterpolymer melts. This method should enable studies of a wide range of fluctuation phenomena in multiblock/multi-species polymer blends and composites.

  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. 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. ...

  10. Numerical simulation of MHD flows in inhomogeneous and instationary magnetic fields; Numerische Simulation von MHD-Stroemungen in inhomogenen und instationaeren Magnetfeldern

    Energy Technology Data Exchange (ETDEWEB)

    Ehrhard, Sebastian

    2016-07-01

    In this work, I develop a numerical model for magnetohydrodynamic flows in unsteady an inhomogeneous flow. The model is implemented in the finite-volume based CFD-code OpenFOAM. Some verification and validation tests are made on several standard problems of magnetohydrodynamics. Finally I successful modelled an electromagnetic flowmeter with the code.

  11. 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

  12. 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

  13. 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

  14. Thermodynamic properties of water molecules in the presence of cosolute depend on DNA structure: a study using grid inhomogeneous solvation theory

    Science.gov (United States)

    Nakano, Miki; Tateishi-Karimata, Hisae; Tanaka, Shigenori; Tama, Florence; Miyashita, Osamu; Nakano, Shu-ichi; Sugimoto, Naoki

    2015-01-01

    In conditions that mimic those of the living cell, where various biomolecules and other components are present, DNA strands can adopt many structures in addition to the canonical B-form duplex. Previous studies in the presence of cosolutes that induce molecular crowding showed that thermal stabilities of DNA structures are associated with the properties of the water molecules around the DNAs. To understand how cosolutes, such as ethylene glycol, affect the thermal stability of DNA structures, we investigated the thermodynamic properties of water molecules around a hairpin duplex and a G-quadruplex using grid inhomogeneous solvation theory (GIST) with or without cosolutes. Our analysis indicated that (i) cosolutes increased the free energy of water molecules around DNA by disrupting water–water interactions, (ii) ethylene glycol more effectively disrupted water–water interactions around Watson–Crick base pairs than those around G-quartets or non-paired bases, (iii) due to the negative electrostatic potential there was a thicker hydration shell around G-quartets than around Watson–Crick-paired bases. Our findings suggest that the thermal stability of the hydration shell around DNAs is one factor that affects the thermal stabilities of DNA structures under the crowding conditions. PMID:26538600

  15. Two-dimensional simulation of the development of an inhomogeneous volume discharge in a Ne/Xe/HCl gas mixture

    International Nuclear Information System (INIS)

    Bychkov, Yu. I.; Yampolskaya, S. A.; Yastremskii, A. G.

    2013-01-01

    The kinetic processes accompanying plasma column formation in an inhomogeneous discharge in a Ne/Xe/HCl gas mixture at a pressure of 4 atm were investigated by using a two-dimensional model. Two cathode spots spaced by 0.7 cm were initiated by distorting the cathode surface at local points, which resulted in an increase in the field strength in the cathode region. Three regimes differing in the charging voltage, electric circuit inductance, and electric field strength at the local cathode points were considered. The spatiotemporal distributions of the discharge current; the electron density; and the densities of excited xenon atoms, HCl(v = 0) molecules in the ground state, and HCl(v > 0) molecules in vibrational levels were calculated. The development of the discharge with increasing the electron density from 10 4 to 10 16 cm −3 was analyzed, and three characteristic stages in the evolution of the current distribution were demonstrated. The width of the plasma column was found to depend on the energy deposited in the discharge. The width of the plasma column was found to decrease in inverse proportion to the deposited energy due to spatiotemporal variations in the rates of electron production and loss. The calculated dependences of the cross-sectional area of the plasma column on the energy deposited in the discharge agree with the experimental results.

  16. 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)

  17. Recent advances in the theory and simulation of pellet ablation and fast fuel relocation in tokamaks

    International Nuclear Information System (INIS)

    Parks, P.B.; Baylor, L.R.; Ishizaki, R.; Jardin, S.C.; Samtaney, R.

    2005-01-01

    This paper presents new theory and simulation of pellet ablation, and the rapid cross-field redistribution of the ionized pellet mass following pellet injection in tokamaks. The first 2-D time-dependent simulations describing the expansion of pellet ablation flow against the magnetic field is presented here using the Eulerian code CAP. The early-time expansion is characterized by the formation of an ellipsoidal diamagnetic cavity surrounding the pellet, which diverts heat flux around the pellet, thereby reducing the ablation rate. Near-pellet cloud properties from CAP provide initial conditions for the subsequent ExB advection of the ionized clouds caused by polarization in the inhomogeneous toroidal magnetic field. The first complete set of time-dependent equations describing mass redistribution has been developed and solved for numerically using the PRL code. New effects identified, including curvature drive by near sonic field-aligned flows, rotational transform of the magnetic field lines and magnetic shear are considered from the viewpoint of the parallel vorticity equation. Close agreement between theory and experimental fuel deposition profiles are obtained for both inner and outer wall pellet injection on the DIII-D tokamak, providing improved predictive capability for ITER. A new 3-D MHD simulation code AMR was started, which provides the required fine-scale mesh size needed for accurate modeling of pellet clouds having sharp perpendicular-to-B gradients. (author)

  18. 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

  19. Direct numerical simulations of the ignition of lean primary reference fuel/air mixtures with temperature inhomogeneities

    KAUST Repository

    Luong, Minhbau; Luo, Zhaoyu; Lu, Tianfeng; Chung, Suk-Ho; Yoo, Chun Sang

    2013-01-01

    simulations (DNSs) with a new 116-species reduced kinetic mechanism. Two-dimensional DNSs were performed in a fixed volume with a two-dimensional isotropic velocity spectrum and temperature fluctuations superimposed on the initial scalar fields with different

  20. Polarized optical scattering by inhomogeneities and surface roughness in an anisotropic thin film.

    Science.gov (United States)

    Germer, Thomas A; Sharma, Katelynn A; Brown, Thomas G; Oliver, James B

    2017-11-01

    We extend the theory of Kassam et al. [J. Opt. Soc. Am. A12, 2009 (1995)JOAOD60740-323210.1364/JOSAA.12.002009] for scattering by oblique columnar structure thin films to include the induced form birefringence and the propagation of radiation in those films. We generalize the 4×4 matrix theory of Berreman [J. Opt. Soc. Am.62, 502 (1972)JOSAAH0030-394110.1364/JOSA.62.000502] to include arbitrary sources in the layer, which are necessary to determine the Green function for the inhomogeneous wave equation. We further extend first-order vector perturbation theory for scattering by roughness in the smooth surface limit, when the layer is anisotropic. Scattering by an inhomogeneous medium is approximated by a distorted Born approximation, where effective medium theory is used to determine the effective properties of the medium, and strong fluctuation theory is used to determine the inhomogeneous sources. In this manner, we develop a model for scattering by inhomogeneous films, with anisotropic correlation functions. The results are compared with Mueller matrix bidirectional scattering distribution function measurements for a glancing-angle deposition (GLAD) film. While the results are applied to the GLAD film example, the development of the theory is general enough that it can guide simulations for scattering in other anisotropic thin films.

  1. 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.)

  2. Theory and computer simulation of structure, transport, and flow of fluid in micropores

    International Nuclear Information System (INIS)

    Davis, H.T.; Bitsanis, I.; Vanderlick, T.K.; Tirrell, M.V.

    1987-01-01

    An overview is given of recent progress made in our laboratory on this topic. The density profiles of fluid in micropores are found by solving numerically an approximate Yvon-Born-Green equation. A related local average density model (LADM) allows prediction of transport and flow in inhomogeneous fluids from density profiles. A rigorous extension of the Enskog theory of transport is also outlined. Simple results of this general approach for the tracer diffusion and Couette flow between planar micropore walls are presented. Equilibrium and flow (molecular dynamics) simulations are compared with the theoretical predictions. Simulated density profiles of the micropore fluid exhibit substantial fluid layering. The number and sharpness of fluid layers depend sensitively on the pore width. The solvation force and the pore average density and diffusivity are oscillating functions of the pore width. The theoretical predictions for these quantities agree qualitatively with the simulation results. The flow simulations indicate that the flow does not affect the fluid structure and diffusivity even at extremely high shear rates (10/sup 10/s/sup -1/). The fluid structure induces large deviations of the shear stress and the effective viscosity from the bulk fluid values. The flow velocity profiles are correlated with the density profiles and differ from those of a bulk fluid. The LADM and extended Enskog theory predictions for the velocity profiles and the pore average diffusivity agree very well with each other and with the simulation results. The LADM predictions for the shear stress and the effective viscosity agrees fairly well with the simulation results

  3. 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…

  4. 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

  5. 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.

  6. Multi-layer composite mechanical modeling for the inhomogeneous biofilm mechanical behavior.

    Science.gov (United States)

    Wang, Xiaoling; Han, Jingshi; Li, Kui; Wang, Guoqing; Hao, Mudong

    2016-08-01

    Experiments showed that bacterial biofilms are heterogeneous, for example, the density, the diffusion coefficient, and mechanical properties of the biofilm are different along the biofilm thickness. In this paper, we establish a multi-layer composite model to describe the biofilm mechanical inhomogeneity based on unified multiple-component cellular automaton (UMCCA) model. By using our model, we develop finite element simulation procedure for biofilm tension experiment. The failure limit and biofilm extension displacement obtained from our model agree well with experimental measurements. This method provides an alternative theory to study the mechanical inhomogeneity in biological materials.

  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. Diffusion in inhomogeneous polymer membranes

    Science.gov (United States)

    Kasargod, Sameer S.; Adib, Farhad; Neogi, P.

    1995-10-01

    The dual mode sorption solubility isotherms assume, and in instances Zimm-Lundberg analysis of the solubilities show, that glassy polymers are heterogeneous and that the distribution of the solute in the polymer is also inhomogeneous. Under some conditions, the heterogeneities cannot be represented as holes. A mathematical model describing diffusion in inhomogeneous polymer membranes is presented using Cahn and Hilliard's gradient theory. The fractional mass uptake is found to be proportional to the fourth root of time rather than the square root, predicted by Fickian diffusion. This type of diffusion is classified as pseudo-Fickian. The model is compared with one experimental result available. A negative value of the persistence factor is obtained and the results are interpreted.

  10. 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 ...

  11. 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.

  12. Direct numerical simulation of ignition front propagation in a constant volume with temperature inhomogeneities. I. Fundamental analysis and diagnostics

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jacqueline H.; Hawkes, Evatt R.; Sankaran, Ramanan [Reacting Flow Research Department, Combustion Research Facility, Sandia National Laboratories, P.O. Box 969 MS 9051, Livermore, CA 94551-0969 (United States); Mason, Scott D. [Lockheed Martin Corporation, Sunnyvale, CA 94089 (United States); Im, Hong G. [Department of Mechanical Engineering, University of Michigan, Ann Arbor, MI 48109-2125 (United States)

    2006-04-15

    The influence of thermal stratification on autoignition at constant volume and high pressure is studied by direct numerical simulation (DNS) with detailed hydrogen/air chemistry with a view to providing better understanding and modeling of combustion processes in homogeneous charge compression-ignition engines. Numerical diagnostics are developed to analyze the mode of combustion and the dependence of overall ignition progress on initial mixture conditions. The roles of dissipation of heat and mass are divided conceptually into transport within ignition fronts and passive scalar dissipation, which modifies the statistics of the preignition temperature field. Transport within ignition fronts is analyzed by monitoring the propagation speed of ignition fronts using the displacement speed of a scalar that tracks the location of maximum heat release rate. The prevalence of deflagrative versus spontaneous ignition front propagation is found to depend on the local temperature gradient, and may be identified by the ratio of the instantaneous front speed to the laminar deflagration speed. The significance of passive scalar mixing is examined using a mixing timescale based on enthalpy fluctuations. Finally, the predictions of the multizone modeling strategy are compared with the DNS, and the results are explained using the diagnostics developed. (author)

  13. 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.

  14. Direct numerical simulations of the ignition of lean primary reference fuel/air mixtures with temperature inhomogeneities

    KAUST Repository

    Luong, Minhbau

    2013-10-01

    The effects of fuel composition, thermal stratification, and turbulence on the ignition of lean homogeneous primary reference fuel (PRF)/air mixtures under the conditions of constant volume and elevated pressure are investigated by direct numerical simulations (DNSs) with a new 116-species reduced kinetic mechanism. Two-dimensional DNSs were performed in a fixed volume with a two-dimensional isotropic velocity spectrum and temperature fluctuations superimposed on the initial scalar fields with different fuel compositions to elucidate the influence of variations in the initial temperature fluctuation and turbulence intensity on the ignition of three different lean PRF/air mixtures. In general, it was found that the mean heat release rate increases slowly and the overall combustion occurs fast with increasing thermal stratification regardless of the fuel composition under elevated pressure and temperature conditions. In addition, the effect of the fuel composition on the ignition characteristics of PRF/air mixtures was found to vanish with increasing thermal stratification. Chemical explosive mode (CEM), displacement speed, and Damköhler number analyses revealed that the high degree of thermal stratification induces deflagration rather than spontaneous ignition at the reaction fronts, rendering the mean heat release rate more distributed over time subsequent to thermal runaway occurring at the highest temperature regions in the domain. These analyses also revealed that the vanishing of the fuel effect under the high degree of thermal stratification is caused by the nearly identical propagation characteristics of deflagrations of different PRF/air mixtures. It was also found that high intensity and short-timescale turbulence can effectively homogenize mixtures such that the overall ignition is apt to occur by spontaneous ignition. These results suggest that large thermal stratification leads to smooth operation of homogeneous charge compression-ignition (HCCI

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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

  20. 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…

  1. 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.

  2. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

    Science.gov (United States)

    Ghobadi, Ahmadreza F.; Elliott, J. Richard

    2014-07-01

    In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of "statistical associating fluid theory" that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH2 and CH3 and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ˜2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ˜1% from simulation data while the theory reproduces the excess

  3. 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.

  4. 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.

  5. Perturbed soliton excitations in inhomogeneous DNA

    International Nuclear Information System (INIS)

    Daniel, M.; Vasumathi, V.

    2005-05-01

    We study nonlinear dynamics of inhomogeneous DNA double helical chain under dynamic plane-base rotator model by considering angular rotation of bases in a plane normal to the helical axis. The DNA dynamics in this case is found to be governed by a perturbed sine-Gordon equation when taking into account the interstrand hydrogen bonding energy and intrastrand inhomogeneous stacking energy and making an analogy with the Heisenberg model of the Hamiltonian for an inhomogeneous anisotropic spin ladder with ferromagnetic legs and antiferromagentic rung coupling. In the homogeneous limit the dynamics is governed by the kink-antikink soliton of the sine-Gordon equation which represents the formation of open state configuration in DNA double helix. The effect of inhomogeneity in stacking energy in the form of localized and periodic variations on the formation of open states in DNA is studied under perturbation. The perturbed soliton is obtained using a multiple scale soliton perturbation theory by solving the associated linear eigen value problem and constructing the complete set of eigen functions. The inhomogeneity in stacking energy is found to modulate the width and speed of the soliton depending on the nature of inhomogeneity. Also it introduces fluctuations in the form of train of pulses or periodic oscillation in the open state configuration (author)

  6. Quantum entanglement in inhomogeneous 1D systems

    Science.gov (United States)

    Ramírez, Giovanni

    2018-04-01

    The entanglement entropy of the ground state of a quantum lattice model with local interactions usually satisfies an area law. However, in 1D systems some violations may appear in inhomogeneous systems or in random systems. In our inhomogeneous system, the inhomogeneity parameter, h, allows us to tune different regimes where a volumetric violation of the area law appears. We apply the strong disorder renormalization group to describe the maximally entangled state of the system in a strong inhomogeneity regime. Moreover, in a weak inhomogeneity regime, we use a continuum approximation to describe the state as a thermo-field double in a conformal field theory with an effective temperature which is proportional to the inhomogeneity parameter of the system. The latter description also shows that the universal scaling features of this model are captured by a massless Dirac fermion in a curved space-time with constant negative curvature R = h2, providing another example of the relation between quantum entanglement and space-time geometry. The results we discuss here were already published before, but here we present a more didactic exposure of basic concepts of the rainbow system for the students attending the Latin American School of Physics "Marcos Moshinsky" 2017.

  7. 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 .

  8. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. II. Confined fluids and vapor-liquid interfaces

    International Nuclear Information System (INIS)

    Ghobadi, Ahmadreza F.; Elliott, J. Richard

    2014-01-01

    In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of “statistical associating fluid theory” that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH 2 and CH 3 and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ∼2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ∼1% from simulation data while the theory reproduces

  9. From molecular dynamics and particle simulations towards constitutive relations for continuum theory

    NARCIS (Netherlands)

    Luding, Stefan; Koren, B.; Vuik, K.

    2009-01-01

    A challenge of today‖s research is the realistic simulation of disordered atomistic systems or particulate and granular materials like sand, powders, ceramics or composites, which consist of many millions of atoms/particles. The inhomogeneous fine-structure of such materials makes it very difficult

  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. 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.

  12. 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...

  13. 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.

  14. Inhomogeneous Pre-Big Bang String Cosmology

    OpenAIRE

    Veneziano, Gabriele

    1997-01-01

    An inhomogeneous version of pre--Big Bang cosmology emerges, within string theory, from quite generic initial conditions, provided they lie deeply inside the weak-coupling, low-curvature regime. Large-scale homogeneity, flatness, and isotropy appear naturally as late-time outcomes of such an evolution.

  15. Big Bounce and inhomogeneities

    International Nuclear Information System (INIS)

    Brizuela, David; Mena Marugan, Guillermo A; Pawlowski, Tomasz

    2010-01-01

    The dynamics of an inhomogeneous universe is studied with the methods of loop quantum cosmology, via a so-called hybrid quantization, as an example of the quantization of vacuum cosmological spacetimes containing gravitational waves (Gowdy spacetimes). The analysis of this model with an infinite number of degrees of freedom, performed at the effective level, shows that (i) the initial Big Bang singularity is replaced (as in the case of homogeneous cosmological models) by a Big Bounce, joining deterministically two large universes, (ii) the universe size at the bounce is at least of the same order of magnitude as that of the background homogeneous universe and (iii) for each gravitational wave mode, the difference in amplitude at very early and very late times has a vanishing statistical average when the bounce dynamics is strongly dominated by the inhomogeneities, whereas this average is positive when the dynamics is in a near-vacuum regime, so that statistically the inhomogeneities are amplified. (fast track communication)

  16. Antennas in inhomogeneous media

    CERN Document Server

    Galejs, Janis; Fock, V A; Wait, J R

    2013-01-01

    Antennas in Inhomogeneous Media details the methods of analyzing antennas in such inhomogeneous media. The title covers the complex geometrical configurations along with its variational formulations. The coverage of the text includes various conditions the antennas are subjected to, such as antennas in the interface between two media; antennas in compressible isotropic plasma; and linear antennas in a magnetoionic medium. The selection also covers insulated loops in lossy media; slot antennas with a stratified dielectric or isotropic plasma layers; and cavity-backed slot antennas. The book wil

  17. 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.

  18. 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.

  19. Dependence of inhomogeneous vibrational linewidth broadening on attractive forces from local liquid number densities

    International Nuclear Information System (INIS)

    George, S.M.; Harris, C.B.

    1982-01-01

    The dependence of inhomogeneous vibrational linewidth broadening on attractive forces form slowly varying local liquid number densities is examined. The recently developed Schweizer--Chandler theory of vibrational dephasing is used to compute absolute inhomogeneous broadening linewidths. The computed linewidths are compared to measured inhomogeneous broadening linewidths determined using picosecond vibrational dephasing experiments. There is a similarity between correlations of the Schweizer--Chandler and George--Auweter--Harris predicted inhomogeneous broadening linewidths and the measured inhomogeneous broadening linewidths. For the methyl stretches under investigation, this correspondence suggests that the width of the number density distribution in the liquid determines the relative inhomogeneous broadening magnitudes

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

    Science.gov (United States)

    Asakura, Nobuhiko; Inui, Toshio

    2016-01-01

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

  1. 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.

  2. Simulated annealing and circuit layout

    NARCIS (Netherlands)

    Aarts, E.H.L.; Laarhoven, van P.J.M.

    1991-01-01

    We discuss the problem of approximately sotvlng circuit layout problems by simulated annealing. For this we first summarize the theoretical concepts of the simulated annealing algorithm using Ihe theory of homogeneous and inhomogeneous Markov chains. Next we briefly review general aspects of the

  3. 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.

  4. 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.

  5. 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

  6. 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...

  7. 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

  8. 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

  9. 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.

  10. 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.

  11. Assessment of inhomogeneous ELF magnetic field exposures

    International Nuclear Information System (INIS)

    Leitgeb, N.; Cech, R.; Schroettner, J.

    2008-01-01

    In daily life as well as at workplaces, exposures to inhomogeneous magnetic fields become very frequent. This makes easily applicable compliance assessment methods increasingly important. Reference levels have been defined linking basic restrictions to levels of homogeneous fields at worst-case exposure conditions. If reference levels are met, compliance with basic restrictions can be assumed. If not, further investigations could still prove compliance. Because of the lower induction efficiency, inhomogeneous magnetic fields such as from electric appliances could be allowed exceeding reference levels. To easily assess inhomogeneous magnetic fields, a quick and flexible multi-step assessment procedure is proposed. On the basis of simulations with numerical, anatomical human models reference factors were calculated elevating reference levels to link hot-spot values measured at source surfaces to basic limits and allowing accounting for different source distance, size, orientation and position. Compliance rules are proposed minimising assessment efforts. (authors)

  12. 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)

  13. 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.

  14. 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

  15. Large sample neutron activation analysis of a reference inhomogeneous sample

    International Nuclear Information System (INIS)

    Vasilopoulou, T.; Athens National Technical University, Athens; Tzika, F.; Stamatelatos, I.E.; Koster-Ammerlaan, M.J.J.

    2011-01-01

    A benchmark experiment was performed for Neutron Activation Analysis (NAA) of a large inhomogeneous sample. The reference sample was developed in-house and consisted of SiO 2 matrix and an Al-Zn alloy 'inhomogeneity' body. Monte Carlo simulations were employed to derive appropriate correction factors for neutron self-shielding during irradiation as well as self-attenuation of gamma rays and sample geometry during counting. The large sample neutron activation analysis (LSNAA) results were compared against reference values and the trueness of the technique was evaluated. An agreement within ±10% was observed between LSNAA and reference elemental mass values, for all matrix and inhomogeneity elements except Samarium, provided that the inhomogeneity body was fully simulated. However, in cases that the inhomogeneity was treated as not known, the results showed a reasonable agreement for most matrix elements, while large discrepancies were observed for the inhomogeneity elements. This study provided a quantification of the uncertainties associated with inhomogeneity in large sample analysis and contributed to the identification of the needs for future development of LSNAA facilities for analysis of inhomogeneous samples. (author)

  16. Anomalous transient behavior from an inhomogeneous initial optical vortex density

    CSIR Research Space (South Africa)

    Roux, FS

    2011-04-01

    Full Text Available . However, the decay curves contain oscillatory features that are counterintuitive: for a short while, the inhomogeneity actually increases. The author provides numerical simulations and analytic calculations to study the appearance of the anomalous features...

  17. 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.

  18. 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

  19. 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.

  20. 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...

  1. How Forest Inhomogeneities Affect the Edge Flow

    DEFF Research Database (Denmark)

    Boudreault, Louis-Étienne; Dupont, Sylvain; Bechmann, Andreas

    2016-01-01

    Most of our knowledge on forest-edge flows comes from numerical and wind-tunnel experiments where canopies are horizontally homogeneous. To investigate the impact of tree-scale heterogeneities (>1 m) on the edge-flow dynamics, the flow in an inhomogeneous forest edge on Falster island in Denmark...... is investigated using large-eddy simulation. The three-dimensional forest structure is prescribed in the model using high resolution helicopter-based lidar scans. After evaluating the simulation against wind measurements upwind and downwind of the forest leading edge, the flow dynamics are compared between...... the scanned forest and an equivalent homogeneous forest. The simulations reveal that forest inhomogeneities facilitate flow penetration into the canopy from the edge, inducing important dispersive fluxes in the edge region as a consequence of the flow spatial variability. Further downstream from the edge...

  2. 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

  3. INHOMOGENEOUS NEARLY INCOMPRESSIBLE DESCRIPTION OF MAGNETOHYDRODYNAMIC TURBULENCE

    International Nuclear Information System (INIS)

    Hunana, P.; Zank, G. P.

    2010-01-01

    The nearly incompressible theory of magnetohydrodynamics (MHD) is formulated in the presence of a static large-scale inhomogeneous background. The theory is an inhomogeneous generalization of the homogeneous nearly incompressible MHD description of Zank and Matthaeus and a polytropic equation of state is assumed. The theory is primarily developed to describe solar wind turbulence where the assumption of a composition of two-dimensional (2D) and slab turbulence with the dominance of the 2D component has been used for some time. It was however unclear, if in the presence of a large-scale inhomogeneous background, the dominant component will also be mainly 2D and we consider three distinct MHD regimes for the plasma beta β > 1. For regimes appropriate to the solar wind (β 2 s δp is not valid for the leading-order O(M) density fluctuations, and therefore in observational studies, the density fluctuations should not be analyzed through the pressure fluctuations. The pseudosound relation is valid only for higher order O(M 2 ) density fluctuations, and then only for short-length scales and fast timescales. The spectrum of the leading-order density fluctuations should be modeled as k -5/3 in the inertial range, followed by a Bessel function solution K ν (k), where for stationary turbulence ν = 1, in the viscous-convective and diffusion range. Other implications for solar wind turbulence with an emphasis on the evolution of density fluctuations are also discussed.

  4. 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.

  5. 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

  6. MRI intensity inhomogeneity correction by combining intensity and spatial information

    International Nuclear Information System (INIS)

    Vovk, Uros; Pernus, Franjo; Likar, Bostjan

    2004-01-01

    We propose a novel fully automated method for retrospective correction of intensity inhomogeneity, which is an undesired phenomenon in many automatic image analysis tasks, especially if quantitative analysis is the final goal. Besides most commonly used intensity features, additional spatial image features are incorporated to improve inhomogeneity correction and to make it more dynamic, so that local intensity variations can be corrected more efficiently. The proposed method is a four-step iterative procedure in which a non-parametric inhomogeneity correction is conducted. First, the probability distribution of image intensities and corresponding second derivatives is obtained. Second, intensity correction forces, condensing the probability distribution along the intensity feature, are computed for each voxel. Third, the inhomogeneity correction field is estimated by regularization of all voxel forces, and fourth, the corresponding partial inhomogeneity correction is performed. The degree of inhomogeneity correction dynamics is determined by the size of regularization kernel. The method was qualitatively and quantitatively evaluated on simulated and real MR brain images. The obtained results show that the proposed method does not corrupt inhomogeneity-free images and successfully corrects intensity inhomogeneity artefacts even if these are more dynamic

  7. 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.

  8. 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

  9. Silicon qubit performance in the presence of inhomogeneous strain

    Science.gov (United States)

    Jacobson, N. Tobias; Ward, Daniel R.; Baczewski, Andrew D.; Gamble, John K.; Montano, Ines; Rudolph, Martin; Nielsen, Erik; Carroll, Malcolm

    While gate electrode voltages largely define the potential landscape experienced by electrons in quantum dot (QD) devices, mechanical strain also plays a role. Inhomogeneous strain established over the course of device fabrication, followed by mismatched contraction under cooling to cryogenic temperatures, may significantly perturb this potential. A recent investigation by Thorbeck & Zimmerman suggests that unintentional QDs may form as a result of the latter thermal contraction mismatch mechanism. In this work, we investigate the effects of inhomogeneous strain on QD tunnel barriers and other properties, from the perspective of QD and donor-based qubit performance. Through semiconductor process simulation, we estimate the relative magnitude of strain established during fabrication as compared with thermal expansion coefficient mismatch. Combining these predictions with multi-valley effective mass theory modeling of qubit characteristics, we identify whether strain effects may compel stricter than expected constraints on device dimensions. Finally, we investigate the degree to which strain and charge disorder effects may be distinguished. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000.

  10. The inhomogeneous Suslov problem

    Energy Technology Data Exchange (ETDEWEB)

    García-Naranjo, Luis C., E-mail: luis@mym.iimas.unam.mx [Departamento de Matemáticas y Mecánica, IIMAS-UNAM, Apdo Postal 20-726, Mexico City 01000 (Mexico); Maciejewski, Andrzej J., E-mail: andrzej.j.maciejewski@gmail.com [J. Kepler Institute of Astronomy, University of Zielona Góra, Licealna 9, 65-417 Zielona Góra (Poland); Marrero, Juan C., E-mail: jcmarrero@ull.edu.es [ULL-CSIC, Geometría Diferencial y Mecánica Geométrica, Departamento de Matemática Fundamental, Facultad de Matemáticas, Universidad de la Laguna, La Laguna, Tenerife, Canary Islands (Spain); Przybylska, Maria, E-mail: M.Przybylska@if.uz.zgora.pl [Institute of Physics, University of Zielona Góra, Licealna 9, 65-417 Zielona Góra (Poland)

    2014-06-27

    We consider the Suslov problem of nonholonomic rigid body motion with inhomogeneous constraints. We show that if the direction along which the Suslov constraint is enforced is perpendicular to a principal axis of inertia of the body, then the reduced equations are integrable and, in the generic case, possess a smooth invariant measure. Interestingly, in this generic case, the first integral that permits integration is transcendental and the density of the invariant measure depends on the angular velocities. We also study the Painlevé property of the solutions. - Highlights: • We consider the Suslov problem of nonholonomic rigid body motion with inhomogeneous constraints. • We study the problem in detail for a particular choice of the parameters that has a clear physical interpretation. • We show that the equations of motion possess an invariant measure whose density depends on the velocity variables. • We show that the reduced system is integrable due to the existence of a transcendental first integral. • We study the Painlevé property of the solutions.

  11. Inhomogeneous anisotropic cosmology

    International Nuclear Information System (INIS)

    Kleban, Matthew; Senatore, Leonardo

    2016-01-01

    In homogeneous and isotropic Friedmann-Robertson-Walker cosmology, the topology of the universe determines its ultimate fate. If the Weak Energy Condition is satisfied, open and flat universes must expand forever, while closed cosmologies can recollapse to a Big Crunch. A similar statement holds for homogeneous but anisotropic (Bianchi) universes. Here, we prove that arbitrarily inhomogeneous and anisotropic cosmologies with “flat” (including toroidal) and “open” (including compact hyperbolic) spatial topology that are initially expanding must continue to expand forever at least in some region at a rate bounded from below by a positive number, despite the presence of arbitrarily large density fluctuations and/or the formation of black holes. Because the set of 3-manifold topologies is countable, a single integer determines the ultimate fate of the universe, and, in a specific sense, most 3-manifolds are “flat” or “open”. Our result has important implications for inflation: if there is a positive cosmological constant (or suitable inflationary potential) and initial conditions for the inflaton, cosmologies with “flat” or “open” topology must expand forever in some region at least as fast as de Sitter space, and are therefore very likely to begin inflationary expansion eventually, regardless of the scale of the inflationary energy or the spectrum and amplitude of initial inhomogeneities and gravitational waves. Our result is also significant for numerical general relativity, which often makes use of periodic (toroidal) boundary conditions.

  12. 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.

  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. Radiation transport in statistically inhomogeneous rocks

    International Nuclear Information System (INIS)

    Lukhminskij, B.E.

    1975-01-01

    A study has been made of radiation transfer in statistically inhomogeneous rocks. Account has been taken of the statistical character of rock composition through randomization of density. Formulas are summarized for sigma-distribution, homogeneous density, the Simpson and Cauchy distributions. Consideration is given to the statistics of mean square ranges in a medium, simulated by the jump Markov random function. A quantitative criterion of rock heterogeneity is proposed

  15. Inhomogeneity of epidemic spreading with entropy-based infected clusters.

    Science.gov (United States)

    Wen-Jie, Zhou; Xing-Yuan, Wang

    2013-12-01

    Considering the difference in the sizes of the infected clusters in the dynamic complex networks, the normalized entropy based on infected clusters (δ*) is proposed to characterize the inhomogeneity of epidemic spreading. δ* gives information on the variability of the infected clusters in the system. We investigate the variation in the inhomogeneity of the distribution of the epidemic with the absolute velocity v of moving agent, the infection density ρ, and the interaction radius r. By comparing δ* in the dynamic networks with δH* in homogeneous mode, the simulation experiments show that the inhomogeneity of epidemic spreading becomes smaller with the increase of v, ρ, r.

  16. 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).

  17. A multi-layer discrete-ordinate method for vector radiative transfer in a vertically-inhomogeneous, emitting and scattering atmosphere. I - Theory. II - Application

    Science.gov (United States)

    Weng, Fuzhong

    1992-01-01

    A theory is developed for discretizing the vector integro-differential radiative transfer equation including both solar and thermal radiation. A complete solution and boundary equations are obtained using the discrete-ordinate method. An efficient numerical procedure is presented for calculating the phase matrix and achieving computational stability. With natural light used as a beam source, the Stokes parameters from the model proposed here are compared with the analytical solutions of Chandrasekhar (1960) for a Rayleigh scattering atmosphere. The model is then applied to microwave frequencies with a thermal source, and the brightness temperatures are compared with those from Stamnes'(1988) radiative transfer model.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. Material inhomogeneities and their evolution a geometric approach

    CERN Document Server

    Epstein, Marcelo

    2007-01-01

    Presents a unified treatment of the inhomogeneity theory using some of the tools of modern differential geometry. This book deals with the geometrical description of uniform bodies and their homogeneity conditions. It also develops a theory of material evolution and discusses its relevance in various applied contexts.

  4. 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.

  5. Inhomogeneous microstructural growth by irradiation

    DEFF Research Database (Denmark)

    Krishan, K.; Singh, Bachu Narain; Leffers, Torben

    1985-01-01

    In the present paper we discuss the development of heterogeneous microstructure for uniform irradiation conditions. It is shown that microstructural inhomogeneities on a scale of 0.1 μm can develop purely from kinematic considerations because of the basic structure of the rate equations used...... to describe such evolution. Two aspects of the growth of such inhomogeneities are discussed. Firstly, it is shown that a local variation in the sink densities of the various microstructural defects will tend to enhance the inhomogeneity rather than remove it. Secondly, such inhomogeneities will lead to point...... defect fluxes that result in a spatial growth of the inhomogeneous region, which will be stopped only when the microstructural density around this region becomes large. The results have important implications in the formation of denuded zones and void formation in metals....

  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. 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

  8. Process Modeling With Inhomogeneous Thin Films

    Science.gov (United States)

    Machorro, R.; Macleod, H. A.; Jacobson, M. R.

    1986-12-01

    Designers of optical multilayer coatings commonly assume that the individual layers will be ideally homogeneous and isotropic. In practice, it is very difficult to control the conditions involved in the complex evaporation process sufficiently to produce such ideal films. Clearly, changes in process parameters, such as evaporation rate, chamber pressure, and substrate temperature, affect the microstructure of the growing film, frequently producing inhomogeneity in structure or composition. In many cases, these effects are interdependent, further complicating the situation. However, this process can be simulated on powerful, interactive, and accessible microcomputers. In this work, we present such a model and apply it to estimate the influence of an inhomogeneous layer on multilayer performance. Presently, the program simulates film growth, thermal expansion and contraction, and thickness monitoring procedures, and includes the effects of uncertainty in these parameters or noise. Although the model is being developed to cover very general cases, we restrict the present discussion to isotropic and nondispersive quarterwave layers to understand the particular effects of inhomogeneity. We studied several coating designs and related results and tolerances to variations in evaporation conditions. The model is composed of several modular subprograms, is written in Fortran, and is executed on an IBM-PC with 640 K of memory. The results can be presented in graphic form on a monochrome monitor. We are currently installing and implementing color capability to improve the clarity of the multidimensional output.

  9. 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

  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. Direct numerical simulations of ignition of a lean n-heptane/air mixture with temperature and composition inhomogeneities relevant to HCCI and SCCI combustion

    KAUST Repository

    Luong, Minh Bau; Yu, Gwang Hyeon; Lu, Tianfeng; Chung, Suk-Ho; Yoo, Chun Sang

    2015-01-01

    The effects of temperature and composition stratifications on the ignition of a lean n-heptane/air mixture at three initial mean temperatures under elevated pressure are investigated using direct numerical simulations (DNSs) with a 58-species

  12. Particle creation in inhomogeneous spacetimes

    International Nuclear Information System (INIS)

    Frieman, J.A.

    1989-01-01

    We study the creation of particles by inhomogeneous perturbations of spatially flat Friedmann-Robertson-Walker cosmologies. For massless scalar fields, the pair-creation probability can be expressed in terms of geometric quantities (curvature invariants). The results suggest that inhomogeneities on scales up to the particle horizon will be damped out near the Planck time. Perturbations on scales larger than the horizon are explicitly shown to yield no created pairs. The results generalize to inhomogeneous spacetimes several earlier studies of pair creation in homogeneous anisotropic cosmologies

  13. Forces and energy dissipation in inhomogeneous non-equilibrium superconductors

    International Nuclear Information System (INIS)

    Poluehktov, Yu.M.; Slezov, V.V.

    1987-01-01

    The phenomenological theory of volume forces and dissipation processes in inhomogeneous non-equilibrium superconductors near temperature transition from the normal to superconducting state is constructed. The approach is based on application of dynamic equations of superconductivity formulated on the basis of the Lagrangian formalism. These equations are generalized the Ginzburg-Landau theory in the nonstationary non-equilibrium case for ''foul'' superconductors. The value estimations of volume forces arising in inhomogeneities during relaxation of an order parameter and when the electrical field is penetrated into the superconductor, are given

  14. 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.

  15. 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

  16. Inclusions and inhomogeneities under stress

    CSIR Research Space (South Africa)

    Nabarro, FRN

    1996-02-01

    Full Text Available Some general theorems, new and old, concerning the behaviour of elastic inclusions and inhomogeneities in bodies without or with external stress, are assembled. The principal new result is that arbitrary external tractions cannot influence the shape...

  17. Inhomogeneities and the Modeling of Radio Supernovae

    Energy Technology Data Exchange (ETDEWEB)

    Björnsson, C.-I.; Keshavarzi, S. T., E-mail: bjornsson@astro.su.se [Department of Astronomy, AlbaNova University Center, Stockholm University, SE–106 91 Stockholm (Sweden)

    2017-05-20

    Observations of radio supernovae (SNe) often exhibit characteristics not readily accounted for by a homogeneous, spherically symmetric synchrotron model; e.g., flat-topped spectra/light curves. It is shown that many of these deviations from the standard model can be attributed to an inhomogeneous source structure. When inhomogeneities are present, the deduced radius of the source and, hence, the shock velocity, is sensitive to the details of the modeling. As the inhomogeneities are likely to result from the same mechanism that amplify the magnetic field, a comparison between observations and the detailed numerical simulations now under way may prove mutually beneficial. It is argued that the radio emission in Type Ib/c SNe has a small volume filling factor and comes from a narrow region associated with the forward shock, while the radio emission region in SN 1993J (Type IIb) is determined by the extent of the Rayleigh–Taylor instability emanating from the contact discontinuity. Attention is also drawn to the similarities between radio SNe and the structural properties of SN remnants.

  18. 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…

  19. 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.

  20. Microstructural evolution in inhomogeneous elastic media

    International Nuclear Information System (INIS)

    Jou, H.J.; Leo, P.H.; Lowengrub, J.S.

    1997-01-01

    We simulate the diffusional evolution of microstructures produced by solid state diffusional transformations in elastically stressed binary alloys in two dimensions. The microstructure consists of arbitrarily shaped precipitates embedded coherently in an infinite matrix. The precipitate and matrix are taken to be elastically isotropic, although they may have different elastic constants (elastically inhomogeneous). Both far-field applied strains and mismatch strains between the phases are considered. The diffusion and elastic fields are calculated using the boundary integral method, together with a small scale preconditioner to remove ill-conditioning. The precipitate-matrix interfaces are tracked using a nonstiff time updating method. The numerical method is spectrally accurate and efficient. Simulations of a single precipitate indicate that precipitate shapes depend strongly on the mass flux into the system as well as on the elastic fields. Growing shapes (positive mass flux) are dendritic while equilibrium shapes (zero mass flux) are squarish. Simulations of multiparticle systems show complicated interactions between precipitate morphology and the overall development of microstructure (i.e., precipitate alignment, translation, merging, and coarsening). In both single and multiple particle simulations, the details of the microstructural evolution depend strongly o the elastic inhomogeneity, misfit strain, and applied fields. 57 refs., 24 figs

  1. On Electron Hole Evolution in Inhomogeneous Plasmas

    Science.gov (United States)

    Kuzichev, I.; Vasko, I.; Agapitov, O. V.; Mozer, F.; Artemyev, A.

    2017-12-01

    Electron holes (EHs) are the stationary localized non-linear structures in phase space existing due to an electron population trapped within EH electrostatic potential. EHs were found to be a common phenomenon in the Earth's magnetosphere. Such structures were observed in reconnecting current sheets, injection fronts in the outer radiation belt, and in many other situations. EHs usually propagate along magnetic field lines with velocities about electron thermal velocity, are localized on the scale of about 4-10 Debye lengths, and have the field amplitude up to hundreds of mV/m. Generation of these structures, evolution, and their role in relaxation of instabilities and energy dissipation, particle energization, supporting large-scale potential drops is under active investigation. In this report, we present the results of 1.5D gyrokinetic Vlasov-Maxwell simulations of the EH evolution in plasmas with inhomogeneous magnetic field and inhomogeneous density. Our calculations show that the inhomogeneity has a critical effect on the EH dynamics. EHs propagating into stronger (weaker) magnetic field are decelerated (accelerated) with deceleration (acceleration) rate dependent on the magnetic field gradient. During the deceleration of EH, the potential drop (weak double layer) along EH is generated. Such a potential drop might be experimentally observable even for single EH in the reconnecting current sheets. The same holds for the propagation in the plasma with inhomogeneous density. For some parameters of the system, the deceleration results in the turning of the hole. The interesting feature of this process is that the turning point depends only on the EH parameters, being independent of the average inhomogeneity scale. Our calculations also demonstrate the significant difference between "quasi-particle" concept and real evolution of the hole. Indeed, the EH is accelerated (decelerated) faster than it follows from a quasi-particle energy conservation law. It indicates

  2. 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.

  3. geometric optics and WKB method for electromagnetic wave propagation in an inhomogeneous plasma near cutoff

    Energy Technology Data Exchange (ETDEWEB)

    Light, Max Eugene [Los Alamos National Laboratory

    2017-04-13

    This report outlines the theory underlying electromagnetic (EM) wave propagation in an unmagnetized, inhomogeneous plasma. The inhomogeneity is given by a spatially nonuniform plasma electron density ne(r), which will modify the wave propagation in the direction of the gradient rne(r).

  4. Acoustic Force Density Acting on Inhomogeneous Fluids in Acoustic Fields

    DEFF Research Database (Denmark)

    Karlsen, Jonas Tobias; Augustsson, Per; Bruus, Henrik

    2016-01-01

    , the theory predicts a relocation of the inhomogeneities into stable field-dependent configurations, which are qualitatively different from the horizontally layered configurations due to gravity. Experimental validation is obtained by confocal imaging of aqueous solutions in a glass-silicon microchip....

  5. Unconventional superconductivity near inhomogeneities

    International Nuclear Information System (INIS)

    Poenicke, A.F.

    2008-01-01

    After the presentation of a quasi-classical theory the specific heat of Sr 2 RuO 4 is considered. Then tunneling spectroscopy on cuprate superconductors is discussed. Thereafter the subharmonic gap structure in d-wave superconductors is considered. Finally the application of the S-matrix in superconductivity is discussed with spin mixing, CrO 2 as example, and an interface model. (HSI)

  6. Unconventional superconductivity near inhomogeneities

    Energy Technology Data Exchange (ETDEWEB)

    Poenicke, A F

    2008-01-25

    After the presentation of a quasi-classical theory the specific heat of Sr{sub 2}RuO{sub 4} is considered. Then tunneling spectroscopy on cuprate superconductors is discussed. Thereafter the subharmonic gap structure in d-wave superconductors is considered. Finally the application of the S-matrix in superconductivity is discussed with spin mixing, CrO{sub 2} as example, and an interface model. (HSI)

  7. Inhomogeneous wire explosion in water

    International Nuclear Information System (INIS)

    Hwangbo, C.K.; Kong, H.J.; Lee, S.S.

    1980-01-01

    Inhomogeneous processes are observed in underwater copper wire explosion induced by a condensed capacitor discharge. The wire used is 0.1 mm in diameter and 10 mm long, and the capacitor of 2 μF is charged to 5 KV. A N 2 laser is used for the diagnostic of spatial extension of exploding copper vapour. The photographs obtained in this experiment show unambiguously the inhomogeneous explosion along the exploding wire. The quenching of plasma by the surrounding water inhibits the expansion of the vapour. It is believed the observed inhomogeneous explosion along the wire is located and localized around Goronkin's striae, which was first reported by Goronkin and discussed by Froengel as a pre-breakdown phenomenon. (author)

  8. Dynamics of inhomogeneous chiral condensates

    Science.gov (United States)

    Carlomagno, Juan Pablo; Krein, Gastão; Kroff, Daniel; Peixoto, Thiago

    2018-01-01

    We study the dynamics of the formation of inhomogeneous chirally broken phases in the final stages of a heavy-ion collision, with particular interest on the time scales involved in the formation process. The study is conducted within the framework of a Ginzburg-Landau time evolution, driven by a free energy functional motivated by the Nambu-Jona-Lasinio model. Expansion of the medium is modeled by one-dimensional Bjorken flow and its effect on the formation of inhomogeneous condensates is investigated. We also use a free energy functional from a nonlocal Nambu-Jona-Lasinio model which predicts metastable phases that lead to long-lived inhomogeneous condensates before reaching an equilibrium phase with homogeneous condensates.

  9. Parametric instabilities in inhomogeneous plasma

    International Nuclear Information System (INIS)

    Nicholson, D.R.

    1975-01-01

    The nonlinear coupling of three waves in a plasma is considered. One of the waves is assumed large and constant; its amplitude is the parameter of the parametric instability. The spatial-temporal evolution of the other two waves is treated theoretically, in one dimension, by analytic methods and by direct numerical integration of the basic equations. Various monotonic forms of inhomogeneity are considered; agreement with previous work is found and new results are established. Nonmonotonic inhomogeneities are considered, in the form of turbulence and, as a model problem, in the form of a simple sinusoidal modulation. Relatively small amounts of nonmonotonic inhomogeneity, in the presence of a linear density gradient, are found to destabilize the well-known convective saturation, absolute growth occurring instead. (U.S.)

  10. Surge of plasma waves in an inhomogeneous plasma

    International Nuclear Information System (INIS)

    Benhassine, Mohammed

    1985-01-01

    The first part of this research thesis addresses the propagation of waves in a plasma. It presents the equation of propagation of an electromagnetic wave in a plasma without magnetic field, and analyses the propagation in an inhomogeneous medium. The second part addresses the wave-particle interaction: interaction between electrons and an electromagnetic wave, between electrons and an electrostatic wave (trapping), and between electrons and a localised electric field. The third chapter presents the analytic theory of oscillations of a cold plasma (macroscopic equations in Lagrangian coordinates, analytic solution before surge). The next chapter discusses physical interpretations before the wave surge, after the wave surge, and about energy exchange (within or outside of resonance). Numerical simulations and their results are then reported and discussed. The sixth chapter addresses the case of an electrostatic wave surge in a hot plasma. It notably addresses the following aspects: equivalence between the description of moments and the Waterbag model, interaction between non linearity and thermal effects, variation of electric field amplitude with temperature. Results of numerical simulations are presented, and the last part addresses experimental predictions for microwaves-plasma interaction and laser-matter interaction [fr

  11. Reflection of oblique electron thermal modes in an inhomogeneous plasma

    International Nuclear Information System (INIS)

    Ohnuma, T.; Watanabe, T.; Sanuki, H.

    1980-04-01

    In an inhomogeneous magnetoplasma, reflection of an oblique electron thermal mode radiated from a local source is investigated experimentally and theoretically near the electron plasma frequency layer. The experimental observation of reflection in the lower plasma density region than the f sub(p)-layer is found to be in qualitative accord with the theoretical reflection, which is obtained from a kinetic theory in an inhomogeneous magnetoplasma. The reflection of the thermal mode is also compared with that of an electromagnetic mode at the f sub(p)-layer. (author)

  12. Direct numerical simulations of ignition of a lean n-heptane/air mixture with temperature and composition inhomogeneities relevant to HCCI and SCCI combustion

    KAUST Repository

    Luong, Minh Bau

    2015-12-01

    The effects of temperature and composition stratifications on the ignition of a lean n-heptane/air mixture at three initial mean temperatures under elevated pressure are investigated using direct numerical simulations (DNSs) with a 58-species reduced mechanism. Two-dimensional DNSs are performed by varying several key parameters: initial mean temperature, T0, and the variance of temperature and equivalence ratio (T\\' and φ\\') with different T-φcorrelations. It is found that for cases with φ\\' only, the overall combustion occurs more quickly and the mean heat release rate (HRR) increases more slowly with increasing φ\\' regardless of T0. For cases with T\\' only, however, the overall combustion is retarded/advanced in time with increasing T\\' for low/high T0 relative to the negative-temperature coefficient (NTC) regime resulting from a longer/shorter overall ignition delay of the mixture. For cases with uncorrelated T-φfields, the mean HRR is more distributed over time compared to the corresponding cases with T\\' or φ\\' only. For negatively-correlated cases, however, the temporal evolution of the overall combustion exhibits quite non-monotonic behavior with increasing T\\' and φ\\' depending on T0. All of these characteristics are found to be primarily related to the 0-D ignition delays of initial mixtures, the relative timescales between 0-D ignition delay and turbulence, and the dominance of the deflagration mode during the ignition. These results suggest that an appropriate combination of T\\' and φ\\' together with a well-prepared T-φdistribution can alleviate an excessive pressure-rise rate (PRR) and control ignition-timing in homogeneous charge compression-ignition (HCCI) combustion. In addition, critical species and reactions for the ignition of n-heptane/air mixture through the whole ignition process are estimated by comparing the temporal evolution of the mean mass fractions of important species with the overall reaction pathways of n

  13. Direct numerical simulations of the ignition of a lean biodiesel/air mixture with temperature and composition inhomogeneities at high pressure and intermediate temperature

    KAUST Repository

    Luong, Minhbau

    2014-11-01

    The effects of the stratifications of temperature, T, and equivalence ratio, φ{symbol}, on the ignition characteristics of a lean homogeneous biodiesel/air mixture at high pressure and intermediate temperature are investigated using direct numerical simulations (DNSs). 2-D DNSs are performed at a constant volume with the variance of temperature and equivalence ratio (T′ and φ{symbol}′) together with a 2-D isotropic velocity spectrum superimposed on the initial scalar fields. In addition, three different T s(-) φ{symbol} correlations are investigated: (1) baseline cases with T′ only or φ{symbol}′ only, (2) uncorrelated T s(-) φ{symbol} distribution, and (3) negatively-correlated T s(-) φ{symbol} distribution. It is found that the overall combustion is more advanced and the mean heat release rate is more distributed over time with increasing T′ and/or φ{symbol}′ for the baseline and uncorrelated T s(-) φ{symbol} cases. However, the temporal advancement and distribution of the overall combustion caused by T′ or φ{symbol}′ only are nearly annihilated by the negatively-correlated T s(-) φ{symbol} fields. The chemical explosive mode and Damköhler number analyses verify that for the baseline and uncorrelated T s(-) φ{symbol} cases, the deflagration mode is predominant at the reaction fronts for large T′ and/or φ{symbol}′. On the contrary, the spontaneous ignition mode prevails for cases with small T′ or φ{symbol}′, especially for cases with negative T s(-) φ{symbol} correlations, and hence, simultaneous auto-ignition occurs throughout the entire domain, resulting in an excessive rate of heat release. It is also found that turbulence with large intensity, u′, and a short time scale can effectively smooth out initial thermal and compositional fluctuations such that the overall combustion is induced primarily by spontaneous ignition. Based on the present DNS results, the generalization of the effects of T′, φ{symbol}′, and u

  14. 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.

  15. 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…

  16. 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

  17. 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...

  18. 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.

  19. 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.)

  20. Simple inhomogeneous cosmological (toy) models

    International Nuclear Information System (INIS)

    Isidro, Eddy G. Chirinos; Zimdahl, Winfried; Vargas, Cristofher Zuñiga

    2016-01-01

    Based on the Lemaître-Tolman-Bondi (LTB) metric we consider two flat inhomogeneous big-bang models. We aim at clarifying, as far as possible analytically, basic features of the dynamics of the simplest inhomogeneous models and to point out the potential usefulness of exact inhomogeneous solutions as generalizations of the homogeneous configurations of the cosmological standard model. We discuss explicitly partial successes but also potential pitfalls of these simplest models. Although primarily seen as toy models, the relevant free parameters are fixed by best-fit values using the Joint Light-curve Analysis (JLA)-sample data. On the basis of a likelihood analysis we find that a local hump with an extension of almost 2 Gpc provides a better description of the observations than a local void for which we obtain a best-fit scale of about 30 Mpc. Future redshift-drift measurements are discussed as a promising tool to discriminate between inhomogeneous configurations and the ΛCDM model.

  1. Quasilinear diffusion in inhomogeneous plasmas

    International Nuclear Information System (INIS)

    Hooley, D.L.

    1975-05-01

    The problem of inhomogeneous diffusion in a plasma is considered with emphasis on its possible application to relativistic electron beams. A one-dimensional model with a background electrostatic field is used to illustrate the basic approach, which is then extended to a two-dimensional plasma with a background magnetic field. Only preliminary results are available. (U.S.)

  2. 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

  3. Diffraction of an inhomogeneous plane wave by an impedance wedge in a lossy medium

    CSIR Research Space (South Africa)

    Manara, G

    1998-11-01

    Full Text Available The diffraction of an inhomogeneous plane wave by an impedance wedge embedded in a lossy medium is analyzed. The rigorous integral representation for the field is asymptotically evaluated in the context of the uniform geometrical theory...

  4. 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

  5. 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

  6. 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

  7. Phase synchronization in inhomogeneous globally coupled map lattices

    International Nuclear Information System (INIS)

    Ho Mingchung; Hung Yaochen; Jiang, I-M.

    2004-01-01

    The study of inhomogeneous-coupled chaotic systems has attracted a lot of attention recently. With simple definition of phase, we present the phase-locking behavior in ensembles of globally coupled non-identical maps. The inhomogeneous globally coupled maps consist of logistic map and tent map simultaneously. Average phase synchronization ratios, which are used to characterize the phase coherent phenomena, depend on different coupling coefficients and chaotic parameters. By using interdependence, the relationship between a single unit and the mean field is illustrated. Moreover, we take the effect of external noise and parameter mismatch into consideration and present the results by numerical simulation

  8. 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.

  9. 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…

  10. 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)…

  11. 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.

  12. 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.

  13. 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.

  14. Inhomogeneous Markov point processes by transformation

    DEFF Research Database (Denmark)

    Jensen, Eva B. Vedel; Nielsen, Linda Stougaard

    2000-01-01

    We construct parametrized models for point processes, allowing for both inhomogeneity and interaction. The inhomogeneity is obtained by applying parametrized transformations to homogeneous Markov point processes. An interesting model class, which can be constructed by this transformation approach......, is that of exponential inhomogeneous Markov point processes. Statistical inference For such processes is discussed in some detail....

  15. 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

  16. 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

  17. Robustness of inflation to inhomogeneous initial conditions

    Energy Technology Data Exchange (ETDEWEB)

    Clough, Katy; Lim, Eugene A. [Theoretical Particle Physics and Cosmology Group, Physics Department, Kings College London, Strand, London WC2R 2LS (United Kingdom); DiNunno, Brandon S.; Fischler, Willy; Flauger, Raphael; Paban, Sonia, E-mail: katy.clough@kcl.ac.uk, E-mail: eugene.a.lim@gmail.com, E-mail: bsd86@physics.utexas.edu, E-mail: fischler@physics.utexas.edu, E-mail: flauger@physics.utexas.edu, E-mail: paban@physics.utexas.edu [Department of Physics, The University of Texas at Austin, Austin, TX, 78712 (United States)

    2017-09-01

    We consider the effects of inhomogeneous initial conditions in both the scalar field profile and the extrinsic curvature on different inflationary models. In particular, we compare the robustness of small field inflation to that of large field inflation, using numerical simulations with Einstein gravity in 3+1 dimensions. We find that small field inflation can fail in the presence of subdominant gradient energies, suggesting that it is much less robust to inhomogeneities than large field inflation, which withstands dominant gradient energies. However, we also show that small field inflation can be successful even if some regions of spacetime start out in the region of the potential that does not support inflation. In the large field case, we confirm previous results that inflation is robust if the inflaton occupies the inflationary part of the potential. Furthermore, we show that increasing initial scalar gradients will not form sufficiently massive inflation-ending black holes if the initial hypersurface is approximately flat. Finally, we consider the large field case with a varying extrinsic curvature K , such that some regions are initially collapsing. We find that this may again lead to local black holes, but overall the spacetime remains inflationary if the spacetime is open, which confirms previous theoretical studies.

  18. 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.

  19. 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

  20. 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.

  1. 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

  2. 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%

  3. 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.

  4. 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

  5. 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.

  6. DENSE MULTIPHASE FLOW SIMULATION: CONTINUUM MODEL FOR POLY-DISPERSED SYSTEMS USING KINETIC THEORY

    Energy Technology Data Exchange (ETDEWEB)

    Moses Bogere

    2011-08-31

    The overall objective of the project was to verify the applicability of the FCMOM approach to the kinetic equations describing the particle flow dynamics. For monodispersed systems the fundamental equation governing the particle flow dynamics is the Boltzmann equation. During the project, the FCMOM was successfully applied to several homogeneous and in-homogeneous problems in different flow regimes, demonstrating that the FCMOM has the potential to be used to solve efficiently the Boltzmann equation. However, some relevant issues still need to be resolved, i.e. the homogeneous cooling problem (inelastic particles cases) and the transition between different regimes. In this report, the results obtained in homogeneous conditions are discussed first. Then a discussion of the validation results for in-homogeneous conditions is provided. And finally, a discussion will be provided about the transition between different regimes. Alongside the work on development of FCMOM approach studies were undertaken in order to provide insights into anisotropy or particles kinetics in riser hydrodynamics. This report includes results of studies of multiphase flow with unequal granular temperatures and analysis of momentum re-distribution in risers due to particle-particle and fluid-particle interactions. The study of multiphase flow with unequal granular temperatures entailed both simulation and experimental studies of two particles sizes in a riser and, a brief discussion of what was accomplished will be provided. And finally, a discussion of the analysis done on momentum re-distribution of gas-particles flow in risers will be provided. In particular a discussion of the remaining work needed in order to improve accuracy and predictability of riser hydrodynamics based on two-fluid models and how they can be used to model segregation in risers.

  7. 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.)

  8. 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

  9. Quasiadiabatic modes from viscous inhomogeneities

    CERN Document Server

    Giovannini, Massimo

    2016-04-20

    The viscous inhomogeneities of a relativistic plasma determine a further class of entropic modes whose amplitude must be sufficiently small since curvature perturbations are observed to be predominantly adiabatic and Gaussian over large scales. When the viscous coefficients only depend on the energy density of the fluid the corresponding curvature fluctuations are shown to be almost adiabatic. After addressing the problem in a gauge-invariant perturbative expansion, the same analysis is repeated at a non-perturbative level by investigating the nonlinear curvature inhomogeneities induced by the spatial variation of the viscous coefficients. It is demonstrated that the quasiadiabatic modes are suppressed in comparison with a bona fide adiabatic solution. Because of its anomalously large tensor to scalar ratio the quasiadiabatic mode cannot be a substitute for the conventional adiabatic paradigm so that, ultimately, the present findings seems to exclude the possibility of a successful accelerated dynamics solely...

  10. Inhomogeneities in a Friedmann universe

    International Nuclear Information System (INIS)

    Tauber, G.E.

    1987-08-01

    One of the outstanding problems in cosmology is the growth of inhomogeneities, which are characterized by an anisotropic pressure and density distribution. Following a method developed by McVittie (1967, 1968) it has been possible to find time-dependent spherically symmetric solutions of Einstein's field equations containing an arbitrary pressure and density distribution which connect smoothly to a Friedmann universe for any desired equation of state. (author). 5 refs

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. Nonstationary signals phase-energy approach-theory and simulations

    CERN Document Server

    Klein, R; Braun, S; 10.1006/mssp.2001.1398

    2001-01-01

    Modern time-frequency methods are intended to deal with a variety of nonstationary signals. One specific class, prevalent in the area of rotating machines, is that of harmonic signals of varying frequencies and amplitude. This paper presents a new adaptive phase-energy (APE) approach for time-frequency representation of varying harmonic signals. It is based on the concept of phase (frequency) paths and the instantaneous power spectral density (PSD). It is this path which represents the dynamic behaviour of the system generating the observed signal. The proposed method utilises dynamic filters based on an extended Nyquist theorem, enabling extraction of signal components with optimal signal-to-noise ratio. The APE detects the most energetic harmonic components (frequency paths) in the analysed signal. Tests on simulated signals show the superiority of the APE in resolution and resolving power as compared to STFT and wavelets wave- packet decomposition. The dynamic filters also enable the reconstruction of the ...

  16. Simulation of circularly polarized luminescence spectra using coupled cluster theory

    Energy Technology Data Exchange (ETDEWEB)

    McAlexander, Harley R.; Crawford, T. Daniel, E-mail: crawdad@vt.edu [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061 (United States)

    2015-04-21

    We report the first computations of circularly polarized luminescence (CPL) rotatory strengths at the equation-of-motion coupled cluster singles and doubles (EOM-CCSD) level of theory. Using a test set of eight chiral ketones, we compare both dipole and rotatory strengths for absorption (electronic circular dichroism) and emission to the results from time-dependent density-functional theory (TD-DFT) and available experimental data for both valence and Rydberg transitions. For two of the compounds, we obtained optimized geometries of the lowest several excited states using both EOM-CCSD and TD-DFT and determined that structures and EOM-CCSD transition properties obtained with each structure were sufficiently similar that TD-DFT optimizations were acceptable for the remaining test cases. Agreement between EOM-CCSD and the Becke three-parameter exchange function and Lee-Yang-Parr correlation functional (B3LYP) corrected using the Coulomb attenuating method (CAM-B3LYP) is typically good for most of the transitions, though agreement with the uncorrected B3LYP functional is significantly worse for all reported properties. The choice of length vs. velocity representation of the electric dipole operator has little impact on the EOM-CCSD transition strengths for nearly all of the states we examined. For a pair of closely related β, γ-enones, (1R)-7-methylenebicyclo[2.2.1]heptan-2-one and (1S)-2-methylenebicyclo[2.2.1]heptan-7-one, we find that EOM-CCSD and CAM-B3LYP agree with the energetic ordering of the two possible excited-state conformations, resulting in good agreement with experimental rotatory strengths in both absorption and emission, whereas B3LYP yields a qualitatively incorrect result for the CPL signal of (1S)-2-methylenebicyclo[2.2.1]heptan-7-one. Finally, we predict that one of the compounds considered here, trans-bicyclo[3.3.0]octane-3,7-dione, is unique in that it exhibits an achiral ground state and a chiral first excited state, leading to a strong CPL

  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. Stochastic Processes and Queueing Theory used in Cloud Computer Performance Simulations

    Directory of Open Access Journals (Sweden)

    Florin-Catalin ENACHE

    2015-10-01

    Full Text Available The growing character of the cloud business has manifested exponentially in the last 5 years. The capacity managers need to concentrate on a practical way to simulate the random demands a cloud infrastructure could face, even if there are not too many mathematical tools to simulate such demands.This paper presents an introduction into the most important stochastic processes and queueing theory concepts used for modeling computer performance. Moreover, it shows the cases where such concepts are applicable and when not, using clear programming examples on how to simulate a queue, and how to use and validate a simulation, when there are no mathematical concepts to back it up.

  20. Statistical mechanics of dense plasmas: numerical simulation and theory

    International Nuclear Information System (INIS)

    DeWitt, H.E.

    1977-10-01

    Recent Monte Carlo calculations from Paris and from Livermore for dense one and two component plasmas have led to systematic and accurate results for the thermodynamic properties of dense Coulombic fluids. This talk will summarize the results of these numerical experiments, and the simple analytic expressions for the equation of state and other thermodynamic functions that have been obtained. The thermal energy for the one component plasma has a simple power law dependence on temperature that is identical to Monte Carlo results on strongly coupled fluids governed by l/r/sup n/ potentials. A universal model for fluids governed by simple repulsive forces is suggested. For two component plasmas the ion-sphere model is shown to accurately reproduce the Monte Carlo data for the static portion of the energy. Electron screening is included using the Lindhard dielectric function and linear response theory. Free energy expressions have been constructed for one and two component plasmas that allow easy computation of all thermodynamic functions

  1. A molecular dynamics algorithm for simulation of field theories in the canonical ensemble

    International Nuclear Information System (INIS)

    Kogut, J.B.; Sinclair, D.K.

    1986-01-01

    We add a single scalar degree of freedom (''demon'') to the microcanonical ensemble which converts its molecular dynamics into a simulation method for the canonical ensemble (euclidean path integral) of the underlying field theory. This generalization of the microcanonical molecular dynamics algorithm simulates the field theory at fixed coupling with a completely deterministic procedure. We discuss the finite size effects of the method, the equipartition theorem and ergodicity. The method is applied to the planar model in two dimensions and SU(3) lattice gauge theory with four species of light, dynamical quarks in four dimensions. The method is much less sensitive to its discrete time step than conventional Langevin equation simulations of the canonical ensemble. The method is a straightforward generalization of a procedure introduced by S. Nose for molecular physics. (orig.)

  2. Liquid-Vapor Phase Transition: Thermomechanical Theory, Entropy Stable Numerical Formulation, and Boiling Simulations

    Science.gov (United States)

    2015-05-01

    vapor bubbles may generate near blades [40]. This is the phenomenon of cavitation and it is still a limiting factor for ship propeller design. Phase...van der Waals theory with hydrodynamics [39]. The fluid equations based on the van der Waals theory are called the Navier-Stokes-Korteweg equations... cavitating flows, the liquid- vapor phase transition induced by pressure variations. A potential challenge for such a simulation is a proper design of open

  3. SU (2) lattice gauge theory simulations on Fermi GPUs

    International Nuclear Information System (INIS)

    Cardoso, Nuno; Bicudo, Pedro

    2011-01-01

    In this work we explore the performance of CUDA in quenched lattice SU (2) simulations. CUDA, NVIDIA Compute Unified Device Architecture, is a hardware and software architecture developed by NVIDIA for computing on the GPU. We present an analysis and performance comparison between the GPU and CPU in single and double precision. Analyses with multiple GPUs and two different architectures (G200 and Fermi architectures) are also presented. In order to obtain a high performance, the code must be optimized for the GPU architecture, i.e., an implementation that exploits the memory hierarchy of the CUDA programming model. We produce codes for the Monte Carlo generation of SU (2) lattice gauge configurations, for the mean plaquette, for the Polyakov Loop at finite T and for the Wilson loop. We also present results for the potential using many configurations (50,000) without smearing and almost 2000 configurations with APE smearing. With two Fermi GPUs we have achieved an excellent performance of 200x the speed over one CPU, in single precision, around 110 Gflops/s. We also find that, using the Fermi architecture, double precision computations for the static quark-antiquark potential are not much slower (less than 2x slower) than single precision computations.

  4. Ion-optical properties of Wien's filters with inhomogeneous fields

    International Nuclear Information System (INIS)

    Golikov, Yu.K.; Matyshev, A.A.; Solov'ev, K.V.

    1991-01-01

    Common conditions of beam stigmatic focusing in the Wien filters with direct axial trajectory in arbitrary two-dimensional inhomogeneous crossed electrical magnetic fields are obtained. Coefficients for geometrical aberrations of the second order of the crossed field system, characterized by stigmatic focusing properties, are found. Possibility of synthesis on the basis of the developed field system theory with required ion-optical properties is shown

  5. Pair creation in inhomogeneous fields from worldline instantons

    International Nuclear Information System (INIS)

    Dunne, Gerald V.; Schubert, Christian

    2006-01-01

    We show how to do semiclassical nonperturbative computations within the worldline approach to quantum field theory using ''worldline instantons''. These worldline instantons are classical solutions to the Euclidean worldline loop equations of motion, and are closed spacetime loops parametrized by the proper-time. Specifically, we compute the imaginary part of the one loop effective action in scalar and spinor QED using worldline instantons, for a wide class of inhomogeneous electric field backgrounds

  6. Canonical simulations with worldlines: An exploratory study in ϕ24 lattice field theory

    Science.gov (United States)

    Orasch, Oliver; Gattringer, Christof

    2018-01-01

    In this paper, we explore the perspectives for canonical simulations in the worldline formulation of a lattice field theory. Using the charged ϕ4 field in two dimensions as an example, we present the details of the canonical formulation based on worldlines and outline the algorithmic strategies for canonical worldline simulations. We discuss the steps for converting the data from the canonical approach to the grand canonical picture which we use for cross-checking our results. The canonical approach presented here can easily be generalized to other lattice field theories with a worldline representation.

  7. Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion.

    Science.gov (United States)

    Buyukdagli, Sahin; Achim, C V; Ala-Nissila, T

    2012-09-14

    Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)]. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρ(b) ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρ(b) ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting them towards the surface

  8. Electrostatic correlations in inhomogeneous charged fluids beyond loop expansion

    Science.gov (United States)

    Buyukdagli, Sahin; Achim, C. V.; Ala-Nissila, T.

    2012-09-01

    Electrostatic correlation effects in inhomogeneous symmetric electrolytes are investigated within a previously developed electrostatic self-consistent theory [R. R. Netz and H. Orland, Eur. Phys. J. E 11, 301 (2003)], 10.1140/epje/i2002-10159-0. To this aim, we introduce two computational approaches that allow to solve the self-consistent equations beyond the loop expansion. The first method is based on a perturbative Green's function technique, and the second one is an extension of a previously introduced semiclassical approximation for single dielectric interfaces to the case of slit nanopores. Both approaches can handle the case of dielectrically discontinuous boundaries where the one-loop theory is known to fail. By comparing the theoretical results obtained from these schemes with the results of the Monte Carlo simulations that we ran for ions at neutral single dielectric interfaces, we first show that the weak coupling Debye-Huckel theory remains quantitatively accurate up to the bulk ion density ρb ≃ 0.01 M, whereas the self-consistent theory exhibits a good quantitative accuracy up to ρb ≃ 0.2 M, thus improving the accuracy of the Debye-Huckel theory by one order of magnitude in ionic strength. Furthermore, we compare the predictions of the self-consistent theory with previous Monte Carlo simulation data for charged dielectric interfaces and show that the proposed approaches can also accurately handle the correlation effects induced by the surface charge in a parameter regime where the mean-field result significantly deviates from the Monte Carlo data. Then, we derive from the perturbative self-consistent scheme the one-loop theory of asymmetrically partitioned salt systems around a dielectrically homogeneous charged surface. It is shown that correlation effects originate in these systems from a competition between the salt screening loss at the interface driving the ions to the bulk region, and the interfacial counterion screening excess attracting

  9. Polymer deformation in Brownian ratchets: theory and molecular dynamics simulations.

    Science.gov (United States)

    Kenward, Martin; Slater, Gary W

    2008-11-01

    We examine polymers in the presence of an applied asymmetric sawtooth (ratchet) potential which is periodically switched on and off, using molecular dynamics (MD) simulations with an explicit Lennard-Jones solvent. We show that the distribution of the center of mass for a polymer in a ratchet is relatively wide for potential well depths U0 on the order of several kBT. The application of the ratchet potential also deforms the polymer chains. With increasing U0 the Flory exponent varies from that for a free three-dimensional (3D) chain, nu=35 (U0=0), to that corresponding to a 2D compressed (pancake-shaped) polymer with a value of nu=34 for moderate U0. This has the added effect of decreasing a polymer's diffusion coefficient from its 3D value D3D to that of a pancaked-shaped polymer moving parallel to its minor axis D2D. The result is that a polymer then has a time-dependent diffusion coefficient D(t) during the ratchet off time. We further show that this suggests a different method to operate a ratchet, where the off time of the ratchet, toff, is defined in terms of the relaxation time of the polymer, tauR. We also derive a modified version of the Bader ratchet model [Bader, Proc. Natl. Acad. Sci. U.S.A. 96, 13165 (1999)] which accounts for this deformation and we present a simple expression to describe the time dependent diffusion coefficient D(t). Using this model we then illustrate that polymer deformation can be used to modulate polymer migration in a ratchet potential.

  10. Accretion from an inhomogeneous medium

    International Nuclear Information System (INIS)

    Livio, M.; Soker, N.; Koo, M. de; Savonije, G.J.

    1986-01-01

    The problem of accretion by a compact object from an inhomogeneous medium is studied in the general γnot=1 case. The mass accretion rate is found to decrease with increasing γ. The rate of accretion of angular momentum is found to be significantly lower than the rate at which angular momentum is deposited into the Bondi-Hoyle, symmetrical, accretion cylinder. The consequences of the results are studied for the cases of neutron stars accreting from the winds of early-type companions and white dwarfs and main-sequence stars accreting from winds of cool giants. (author)

  11. Inhomogeneous Big Bang Nucleosynthesis Revisited

    OpenAIRE

    Lara, J. F.; Kajino, T.; Mathews, G. J.

    2006-01-01

    We reanalyze the allowed parameters for inhomogeneous big bang nucleosynthesis in light of the WMAP constraints on the baryon-to-photon ratio and a recent measurement which has set the neutron lifetime to be 878.5 +/- 0.7 +/- 0.3 seconds. For a set baryon-to-photon ratio the new lifetime reduces the mass fraction of He4 by 0.0015 but does not significantly change the abundances of other isotopes. This enlarges the region of concordance between He4 and deuterium in the parameter space of the b...

  12. Application of renormalization group theory to the large-eddy simulation of transitional boundary layers

    Science.gov (United States)

    Piomelli, Ugo; Zang, Thomas A.; Speziale, Charles G.; Lund, Thomas S.

    1990-01-01

    An eddy viscosity model based on the renormalization group theory of Yakhot and Orszag (1986) is applied to the large-eddy simulation of transition in a flat-plate boundary layer. The simulation predicts with satisfactory accuracy the mean velocity and Reynolds stress profiles, as well as the development of the important scales of motion. The evolution of the structures characteristic of the nonlinear stages of transition is also predicted reasonably well.

  13. APPLICATION OF QUEUING THEORY TO AUTOMATED TELLER MACHINE (ATM) FACILITIES USING MONTE CARLO SIMULATION

    OpenAIRE

    UDOANYA RAYMOND MANUEL; ANIEKAN OFFIONG

    2014-01-01

    This paper presents the importance of applying queuing theory to the Automated Teller Machine (ATM) using Monte Carlo Simulation in order to determine, control and manage the level of queuing congestion found within the Automated Teller Machine (ATM) centre in Nigeria and also it contains the empirical data analysis of the queuing systems obtained at the Automated Teller Machine (ATM) located within the Bank premises for a period of three (3) months. Monte Carlo Simulation is applied to th...

  14. Theory and Simulations of ELM Control with a Snowflake Divertor

    Energy Technology Data Exchange (ETDEWEB)

    Ryutov, D.; Cohen, B.; Cohen, R.; Makowski, M. A.; Menard, J.; Rognlien, T.; Soukhanovskii, V.; Umansky, M.; Xu, X., E-mail: ryutov1@llnl.gov [Lawrence Livermore National Laboratory, Livermore (United States); Kolemen, E. [Princeton Plasma Physics Laboratory, Princeton (United States)

    2012-09-15

    Full text: This paper is concerned with the use of a snowflake (SF) divertor for the control and mitigation of edge localized modes (ELMs). Our research is focused on the following three issues: 1. Effect of the SF geometry on neoclassical ion orbits near the separatrix, including prompt ion losses and the related control mechanism for the electric field and plasma flow in the pedestal; 2. Influence of the thereby modified flow and of high poloidal plasma beta in the divertor region on plasma turbulence and transport in the snowflake-plus geometry; 3. Reaction of the SF divertor to type-1 ELM events. Neoclassical ion orbits in the vicinity of the SF separatrix are changed due to a much weaker poloidal field near the null and much longer particle dwell-time in this area. This leads to an increase of the prompt ion loss, which then affects the radial electric field profile near the separatrix. The resulting E x B flow shear in the pedestal region affects the onset of ELMs. The electric field and velocity shear are then used as a background for two-fluid simulations of the edge plasma turbulence in a realistic geometry with the 3D BOUT code. A SF-plus geometry is chosen, so that the separatrix topology remains the same as for the standard X-point divertor, whereas the magnetic shear both inside and outside the separatrix increases dramatically. It is found that mesoscale instabilities are suppressed when the geometry is close to a perfect SF. In situations where complete suppression of ELMs is impossible, the SF divertor offers a path to reducing heat loads during ELM events to an acceptable level. Two effects, both related to the weakness of the poloidal field near the SF null, act synergistically in the same favorable direction. The first is the onset of strong, curvature-driven convection in the divertor, triggered by the increase of the poloidal pressure during the ELM and leading to the splitting of the heat flux between all four (as is the case in a SF geometry

  15. Large scale inhomogeneities and the cosmological principle

    International Nuclear Information System (INIS)

    Lukacs, B.; Meszaros, A.

    1984-12-01

    The compatibility of cosmologic principles and possible large scale inhomogeneities of the Universe is discussed. It seems that the strongest symmetry principle which is still compatible with reasonable inhomogeneities, is a full conformal symmetry in the 3-space defined by the cosmological velocity field, but even in such a case, the standard model is isolated from the inhomogeneous ones when the whole evolution is considered. (author)

  16. The splitted laser beam filamentation in interaction of laser and an exponential decay inhomogeneous underdense plasma

    International Nuclear Information System (INIS)

    Xia Xiongping; Yi Lin; Xu Bin; Lu Jianduo

    2011-01-01

    The splitted beam filamentation in interaction of laser and an exponential decay inhomogeneous underdense plasma is investigated. Based on Wentzel-Kramers-Brillouin (WKB) approximation and paraxial/nonparaxial ray theory, simulation results show that the steady beam width and single beam filamentation along the propagation distance in paraxial case is due to the influence of ponderomotive nonlinearity. In nonparaxial case, the influence of the off-axial of α 00 and α 02 (the departure of the beam from the Gaussian nature) and S 02 (the departure from the spherical nature) results in more complicated ponderomotive nonlinearity and changing of the channel density and refractive index, which led to the formation of two/three splitted beam filamentation and the self-distortion of beam width. In addition, influence of several parameters on two/three splitted beam filamentation is discussed.

  17. A multi target approach to control chemical reactions in their inhomogeneous solvent environment

    International Nuclear Information System (INIS)

    Keefer, Daniel; Thallmair, Sebastian; Zauleck, Julius P P; Vivie-Riedle, Regina de

    2015-01-01

    Shaped laser pulses offer a powerful tool to manipulate molecular quantum systems. Their application to chemical reactions in solution is a promising concept to redesign chemical synthesis. Along this road, theoretical developments to include the solvent surrounding are necessary. An appropriate theoretical treatment is helpful to understand the underlying mechanisms. In our approach we simulate the solvent by randomly selected snapshots from molecular dynamics trajectories. We use multi target optimal control theory to optimize pulses for the various arrangements of explicit solvent molecules simultaneously. This constitutes a major challenge for the control algorithm, as the solvent configurations introduce a large inhomogeneity to the potential surfaces. We investigate how the algorithm handles the new challenges and how well the controllability of the system is preserved with increasing complexity. Additionally, we introduce a way to statistically estimate the efficiency of the optimized laser pulses in the complete thermodynamical ensemble. (paper)

  18. Inhomogeneous dusty Universes and their deceleration

    CERN Document Server

    Giovannini, Massimo

    2006-01-01

    Exact results stemming directly from Einstein equations imply that inhomogeneous Universes endowed with vanishing pressure density can only decelerate, unless the energy density of the Universe becomes negative. Recent proposals seem to argue that inhomogeneous (but isotropic) space-times, filled only with incoherent matter,may turn into accelerated Universes for sufficiently late times. To scrutinize these scenarios, fully inhomogeneous Einstein equations are discussed in the synchronous system. In a dust-dominated Universe, the inhomogeneous generalization of the deceleration parameter is always positive semi-definite implying that no acceleration takes place.

  19. Karlin–McGregor-like formula in a simple time-inhomogeneous birth–death process

    International Nuclear Information System (INIS)

    Ohkubo, Jun

    2014-01-01

    Algebraic discussions are developed to derive transition probabilities for a simple time-inhomogeneous birth–death process. Algebraic probability theory and Lie algebraic treatments make it easy to treat the time-inhomogeneous cases. As a result, an expression based on the Charlier polynomials is obtained, which can be considered as an extension of a famous Karlin–McGregor representation for a time-homogeneous birth–death process. (paper)

  20. Inhomogeneity and the foundations of concordance cosmology

    International Nuclear Information System (INIS)

    Clarkson, Chris; Maartens, Roy

    2010-01-01

    The apparent accelerating expansion of the universe is forcing us to examine the foundational aspects of the standard model of cosmology-in particular, the fact that dark energy is a direct consequence of the homogeneity assumption. We discuss the foundations of the assumption of spatial homogeneity, in the case when the Copernican principle is adopted. We present results that show how (almost) homogeneity follows from (almost) isotropy of various observables. The analysis requires fully nonlinear field equations-i.e. it is not possible to use second- or higher-order perturbation theory, since one cannot assume a homogeneous and isotropic background. Then we consider what happens if the Copernican principle is abandoned in our Hubble volume. The simplest models are inhomogeneous but spherically symmetric universes which do not require dark energy to fit the distance modulus. Key problems in these models are to compute the CMB anisotropies and the features of large-scale structure. We review how to construct perturbation theory on a non-homogeneous cosmological background, and discuss the complexities that arise in using this to determine the growth of large-scale structure.

  1. Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Chen Song

    Full Text Available The macroscopic Nernst-Planck (NP theory has often been used for predicting ion channel currents in recent years, but the validity of this theory at the microscopic scale has not been tested. In this study we systematically tested the ability of the NP theory to accurately predict channel currents by combining and comparing the results with those of Brownian dynamics (BD simulations. To thoroughly test the theory in a range of situations, calculations were made in a series of simplified cylindrical channels with radii ranging from 3 to 15 Å, in a more complex 'catenary' channel, and in a realistic model of the mechanosensitive channel MscS. The extensive tests indicate that the NP equation is applicable in narrow ion channels provided that accurate concentrations and potentials can be input as the currents obtained from the combination of BD and NP match well with those obtained directly from BD simulations, although some discrepancies are seen when the ion concentrations are not radially uniform. This finding opens a door to utilising the results of microscopic simulations in continuum theory, something that is likely to be useful in the investigation of a range of biophysical and nano-scale applications and should stimulate further studies in this direction.

  2. Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.

    Science.gov (United States)

    Song, Chen; Corry, Ben

    2011-01-01

    The macroscopic Nernst-Planck (NP) theory has often been used for predicting ion channel currents in recent years, but the validity of this theory at the microscopic scale has not been tested. In this study we systematically tested the ability of the NP theory to accurately predict channel currents by combining and comparing the results with those of Brownian dynamics (BD) simulations. To thoroughly test the theory in a range of situations, calculations were made in a series of simplified cylindrical channels with radii ranging from 3 to 15 Å, in a more complex 'catenary' channel, and in a realistic model of the mechanosensitive channel MscS. The extensive tests indicate that the NP equation is applicable in narrow ion channels provided that accurate concentrations and potentials can be input as the currents obtained from the combination of BD and NP match well with those obtained directly from BD simulations, although some discrepancies are seen when the ion concentrations are not radially uniform. This finding opens a door to utilising the results of microscopic simulations in continuum theory, something that is likely to be useful in the investigation of a range of biophysical and nano-scale applications and should stimulate further studies in this direction.

  3. 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.

  4. Theory and simulation of discrete kinetic beta induced Alfven eigenmode in tokamak plasmas

    International Nuclear Information System (INIS)

    Wang, X; Zonca, F; Chen, L

    2010-01-01

    It is shown, both analytically and by numerical simulations, that, in the presence of thermal ion kinetic effects, the beta induced Alfven eigenmode (BAE)-shear Alfven wave continuous spectrum can be discretized into radially trapped eigenstates known as kinetic BAE (KBAE). While thermal ion compressibility gives rise to finite BAE accumulation point frequency, the discretization occurs via the finite Larmor radius and finite orbit width effects. Simulations and analytical theories agree both qualitatively and quantitatively. Simulations also demonstrate that KBAE can be readily excited by the finite radial gradients of energetic particles.

  5. A portable high-quality random number generator for lattice field theory simulations

    International Nuclear Information System (INIS)

    Luescher, M.

    1993-09-01

    The theory underlying a proposed random number generator for numerical simulations in elementary particle physics and statistical mechanics is discussed. The generator is based on an algorithm introduced by Marsaglia and Zaman, with an important added feature leading to demonstrably good statistical properties. It can be implemented exactly on any computer complying with the IEEE-754 standard for single precision floating point arithmetic. (orig.)

  6. Simulating Serious Games: A Discrete-Time Computational Model Based on Cognitive Flow Theory

    Science.gov (United States)

    Westera, Wim

    2018-01-01

    This paper presents a computational model for simulating how people learn from serious games. While avoiding the combinatorial explosion of a games micro-states, the model offers a meso-level pathfinding approach, which is guided by cognitive flow theory and various concepts from learning sciences. It extends a basic, existing model by exposing…

  7. 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…

  8. Fluid of Hard Spheres with a Modified Dipole: Simulation and Theory

    Czech Academy of Sciences Publication Activity Database

    Jirsák, Jan; Nezbeda, Ivo

    2008-01-01

    Roč. 73, č. 4 (2008), s. 541-557 ISSN 0010-0765 R&D Projects: GA AV ČR 1ET400720409; GA AV ČR IAA400720710 Institutional research plan: CEZ:AV0Z40720504 Keywords : molecular simulation * monte carlo method * perturbation theory Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.784, year: 2008

  9. Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

    KAUST Repository

    Martínez-Veracoechea, Francisco J.; Escobedo, Fernando A.

    2009-01-01

    A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD

  10. Sound propagation in dry granular materials : discrete element simulations, theory, and experiments

    NARCIS (Netherlands)

    Mouraille, O.J.P.

    2009-01-01

    In this study sound wave propagation through different types of dry confined granular systems is studied. With three-dimensional discrete element simulations, theory and experiments, the influence of several micro-scale properties: friction, dissipation, particle rotation, and contact disorder, on

  11. Acoustofluidics: Theory and simulation of streaming and radiation forces at ultrasound resonances in microfluidic devices

    DEFF Research Database (Denmark)

    Bruus, Henrik

    2009-01-01

    fields, which are directly related to the acoustic radiation force on single particles and to the acoustic streaming of the liquid. For the radiation pressure effects, there is good agreement between theory and simulation, while the numeric results for the acoustic streaming effects are more problematic...

  12. 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...

  13. Theory and simulation of time-fractional fluid diffusion in porous media

    International Nuclear Information System (INIS)

    Carcione, José M; Sanchez-Sesma, Francisco J; Gavilán, Juan J Perez; Luzón, Francisco

    2013-01-01

    We simulate a fluid flow in inhomogeneous anisotropic porous media using a time-fractional diffusion equation and the staggered Fourier pseudospectral method to compute the spatial derivatives. A fractional derivative of the order of 0 < ν < 2 replaces the first-order time derivative in the classical diffusion equation. It implies a time-dependent permeability tensor having a power-law time dependence, which describes memory effects and accounts for anomalous diffusion. We provide a complete analysis of the physics based on plane waves. The concepts of phase, group and energy velocities are analyzed to describe the location of the diffusion front, and the attenuation and quality factors are obtained to quantify the amplitude decay. We also obtain the frequency-domain Green function. The time derivative is computed with the Grünwald–Letnikov summation, which is a finite-difference generalization of the standard finite-difference operator to derivatives of fractional order. The results match the analytical solution obtained from the Green function. An example of the pressure field generated by a fluid injection in a heterogeneous sandstone illustrates the performance of the algorithm for different values of ν. The calculation requires storing the whole pressure field in the computer memory since anomalous diffusion ‘recalls the past’. (paper)

  14. Detection of detachments and inhomogeneities in frescos by Compton scattering

    International Nuclear Information System (INIS)

    Castellano, A.; Cesareo, R.; Buccolieri, G.; Donativi, M.; Palama, F.; Quarta, S.; De Nunzio, G.; Brunetti, A.; Marabelli, M.; Santamaria, U.

    2005-01-01

    A mobile instrument has been developed for the detection and mapping of detachments in frescos by using Compton back scattered photons. The instrument is mainly composed of a high energy X-ray tube, an X-ray detection system and a translation table. The instrument was first applied to samples simulating various detachment situations, and then transferred to the Vatican Museum to detect detachments and inhomogeneities in the stanza di Eliodoro, one of the 'Raphael's stanze'

  15. Detection of detachments and inhomogeneities in frescos by Compton scattering

    Energy Technology Data Exchange (ETDEWEB)

    Castellano, A. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); INFN, Sezione di Lecce, via per Arnesano, 73100 Lecce (Italy); Cesareo, R. [Istituto di Matematica e Fisica, Universita di Sassari, 07100 Sassari (Italy) and INFN, Sezione di Cagliari, Cittadella Universitaria di Monserrato, 09042 Cagliari (Italy)]. E-mail: cesareo@uniss.it; Buccolieri, G. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); INFN, Sezione di Lecce, via per Arnesano, 73100 Lecce (Italy); Donativi, M. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); Palama, F. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); INFN, Sezione di Lecce, via per Arnesano, 73100 Lecce (Italy); Quarta, S. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); INFN, Sezione di Lecce, via per Arnesano, 73100 Lecce (Italy); De Nunzio, G. [Dipartimento di Scienza dei Materiali, Universita di Lecce, 73100 Lecce (Italy); INFN, Sezione di Lecce, via per Arnesano, 73100 Lecce (Italy); Brunetti, A. [Istituto di Matematica e Fisica, Universita di Sassari, 07100 Sassari (Italy); INFN, Sezione di Cagliari, Cittadella Universitaria di Monserrato, 09042 Cagliari (Italy); Marabelli, M. [Istituto Centrale del Restauro, P.zza S. Francesco di Paola, 00184 Rome (Italy); Santamaria, U. [Laboratori dei Musei Vaticani, Citta del Vaticano, Rome (Italy)

    2005-07-01

    A mobile instrument has been developed for the detection and mapping of detachments in frescos by using Compton back scattered photons. The instrument is mainly composed of a high energy X-ray tube, an X-ray detection system and a translation table. The instrument was first applied to samples simulating various detachment situations, and then transferred to the Vatican Museum to detect detachments and inhomogeneities in the stanza di Eliodoro, one of the 'Raphael's stanze'.

  16. Adaptive Core Simulation Employing Discrete Inverse Theory - Part II: Numerical Experiments

    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. The companion paper, ''Adaptive Core Simulation Employing Discrete Inverse Theory - Part I: Theory,'' describes in detail the theoretical background of the proposed adaptive techniques. This paper, Part II, demonstrates several computational experiments conducted to assess the fidelity and robustness of the proposed techniques. The intent is to check the ability of the adapted core simulator model to predict future core observables that are not included in the adaption or core observables that are recorded at core conditions that differ from those at which adaption is completed. Also, this paper demonstrates successful utilization of an efficient sensitivity analysis approach to calculate the sensitivity information required to perform the adaption for millions of input core parameters. Finally, this paper illustrates a useful application for adaptive simulation - reducing the inconsistencies between two different core simulator code systems, where the multitudes of input data to one code are adjusted to enhance the agreement between both codes for important core attributes, i.e., core reactivity and power distribution. Also demonstrated is the robustness of such an application

  17. Atomic Quantum Simulations of Abelian and non-Abelian Gauge Theories

    CERN Multimedia

    CERN. Geneva

    2014-01-01

    Using a Fermi-Bose mixture of ultra-cold atoms in an optical lattice, in a collaboration of atomic and particle physicists, we have constructed a quantum simulator for a U(1) gauge theory coupled to fermionic matter. The construction is based on quantum link models which realize continuous gauge symmetry with discrete quantum variables. At low energies, quantum link models with staggered fermions emerge from a Hubbard-type model which can be quantum simulated. This allows investigations of string breaking as well as the real-time evolution after a quench in gauge theories, which are inaccessible to classical simulation methods. Similarly, using ultracold alkaline-earth atoms in optical lattices, we have constructed a quantum simulator for U(N) and SU(N) lattice gauge theories with fermionic matter based on quantum link models. These systems share qualitative features with QCD, including chiral symmetry breaking and restoration at non-zero temperature or baryon density. Unlike classical simulations, a quantum ...

  18. Gyro-fluid and two-fluid theory and simulations of edge-localized-modes

    Energy Technology Data Exchange (ETDEWEB)

    Xu, X. Q.; Dimits, A.; Joseph, I.; Umansky, M. V. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Xi, P. W. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); School of Physics, Peking University, Beijing (China); Xia, T. Y.; Gui, B. [Lawrence Livermore National Laboratory, Livermore, California 94551 (United States); Institute of Plasma Physics, Chinese Academy of Sciences, Hefei (China); Kim, S. S.; Park, G. Y.; Rhee, T.; Jhang, H. [WCI Center for Fusion Theory, National Fusion Research Institute, Daejon 305-333 (Korea, Republic of); Diamond, P. H. [WCI Center for Fusion Theory, National Fusion Research Institute, Daejon 305-333 (Korea, Republic of); Center for Astrophysics and Space Sciences and Department of Physics, University of California, San Diego, La Jolla, California 92093-0424 (United States); Dudson, B. [University of York, Heslington, York YO10 5DD (United Kingdom); Snyder, P. B. [General Atomics, San Diego, California 92186 (United States)

    2013-05-15

    This paper reports on the theoretical and simulation results of a gyro-Landau-fluid extension of the BOUT++ code, which contributes to increasing the physics understanding of edge-localized-modes (ELMs). Large ELMs with low-to-intermediate-n peeling-ballooning (P-B) modes are significantly suppressed due to finite Larmor radius (FLR) effects when the ion temperature increases. For type-I ELMs, it is found from linear simulations that retaining complete first order FLR corrections as resulting from the incomplete “gyroviscous cancellation” in Braginskii's two-fluid model is necessary to obtain good agreement with gyro-fluid results for high ion temperature cases (T{sub i}≽3 keV) when the ion density has a strong radial variation, which goes beyond the simple local model of ion diamagnetic stabilization of ideal ballooning modes. The maximum growth rate is inversely proportional to T{sub i} because the FLR effect is proportional to T{sub i}. The FLR effect is also proportional to toroidal mode number n, so for high n cases, the P-B mode is stabilized by FLR effects. Nonlinear gyro-fluid simulations show results that are similar to those from the two-fluid model, namely that the P-B modes trigger magnetic reconnection, which drives the collapse of the pedestal pressure. Due to the additional FLR-corrected nonlinear E × B convection of the ion gyro-center density, for a ballooning-dominated equilibrium the gyro-fluid model further limits the radial spreading of ELMs. In six-field two fluid simulations, the parallel thermal diffusivity is found to prevent the ELM encroachment further into core plasmas and therefore leads to steady state L-mode profiles. The simulation results show that most energy is lost via ion channel during an ELM event, followed by particle loss and electron energy loss. Because edge plasmas have significant spatial inhomogeneities and complicated boundary conditions, we have developed a fast non-Fourier method for the computation of

  19. 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.

  20. Estimating functions for inhomogeneous Cox processes

    DEFF Research Database (Denmark)

    Waagepetersen, Rasmus

    2006-01-01

    Estimation methods are reviewed for inhomogeneous Cox processes with tractable first and second order properties. We illustrate the various suggestions by means of data examples.......Estimation methods are reviewed for inhomogeneous Cox processes with tractable first and second order properties. We illustrate the various suggestions by means of data examples....

  1. 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.

  2. Organizational culture shapes the adoption and incorporation of simulation into nursing curricula: a grounded theory study.

    Science.gov (United States)

    Taplay, Karyn; Jack, Susan M; Baxter, Pamela; Eva, Kevin; Martin, Lynn

    2014-01-01

    Purpose. To create a substantive mid-range theory explaining how the organizational cultures of undergraduate nursing programs shape the adoption and incorporation of mid-to high-level technical fidelity simulators as a teaching strategy within curricula. Method. A constructivist grounded theory was used to guide this study which was conducted in Ontario, Canada, during 2011-12. Semistructured interviews (n = 43) with participants that included nursing administrators, nursing faculty, and simulation leaders across multiple programs (n = 13) informed this study. Additionally, key documents (n = 67) were reviewed. Purposeful and theoretical sampling was used and data were collected and analyzed simultaneously. Data were compared among and between sites. Findings. The organizational elements that shape simulation in nursing (OESSN) model depicts five key organizational factors at the nursing program level that shaped the adoption and incorporation of simulation: (1) leaders working in tandem, (2) information exchange, (3) physical locale, (4) shared motivators, and (5) scaffolding to manage change. Conclusions. The OESSN model provides an explanation of the organizational factors that contributed to the adoption and incorporation of simulation into nursing curricula. Nursing programs that use the OESSN model may experience a more rapid or broad uptake of simulation when organizational factors that impact adoption and incorporation are considered and planned for.

  3. Lie Symmetries and Solitons in Nonlinear Systems with Spatially Inhomogeneous Nonlinearities

    International Nuclear Information System (INIS)

    Belmonte-Beitia, Juan; Perez-Garcia, Victor M.; Vekslerchik, Vadym; Torres, Pedro J.

    2007-01-01

    Using Lie group theory and canonical transformations, we construct explicit solutions of nonlinear Schroedinger equations with spatially inhomogeneous nonlinearities. We present the general theory, use it to show that localized nonlinearities can support bound states with an arbitrary number solitons, and discuss other applications of interest to the field of nonlinear matter waves

  4. Electronics Research Laboratory, Plasma Theory and Simulation Group annual progress report, January 1, 1989--December 31, 1989

    International Nuclear Information System (INIS)

    Birdsall, C.K.

    1989-01-01

    This is a brief progress report, covering our research in general plasma theory and simulation, plasma-wall physics theory and simulation, and code development. Reports written in this period are included with this mailing. A publications list plus abstracts for two major meetings are included

  5. Asthma management simulation for children: translating theory, methods, and strategies to effect behavior change.

    Science.gov (United States)

    Shegog, Ross; Bartholomew, L Kay; Gold, Robert S; Pierrel, Elaine; Parcel, Guy S; Sockrider, Marianna M; Czyzewski, Danita I; Fernandez, Maria E; Berlin, Nina J; Abramson, Stuart

    2006-01-01

    Translating behavioral theories, models, and strategies to guide the development and structure of computer-based health applications is well recognized, although a continued challenge for program developers. A stepped approach to translate behavioral theory in the design of simulations to teach chronic disease management to children is described. This includes the translation steps to: 1) define target behaviors and their determinants, 2) identify theoretical methods to optimize behavioral change, and 3) choose educational strategies to effectively apply these methods and combine these into a cohesive computer-based simulation for health education. Asthma is used to exemplify a chronic health management problem and a computer-based asthma management simulation (Watch, Discover, Think and Act) that has been evaluated and shown to effect asthma self-management in children is used to exemplify the application of theory to practice. Impact and outcome evaluation studies have indicated the effectiveness of these steps in providing increased rigor and accountability, suggesting their utility for educators and developers seeking to apply simulations to enhance self-management behaviors in patients.

  6. Random field assessment of nanoscopic inhomogeneity of bone.

    Science.gov (United States)

    Dong, X Neil; Luo, Qing; Sparkman, Daniel M; Millwater, Harry R; Wang, Xiaodu

    2010-12-01

    Bone quality is significantly correlated with the inhomogeneous distribution of material and ultrastructural properties (e.g., modulus and mineralization) of the tissue. Current techniques for quantifying inhomogeneity consist of descriptive statistics such as mean, standard deviation and coefficient of variation. However, these parameters do not describe the spatial variations of bone properties. The objective of this study was to develop a novel statistical method to characterize and quantitatively describe the spatial variation of bone properties at ultrastructural levels. To do so, a random field defined by an exponential covariance function was used to represent the spatial uncertainty of elastic modulus by delineating the correlation of the modulus at different locations in bone lamellae. The correlation length, a characteristic parameter of the covariance function, was employed to estimate the fluctuation of the elastic modulus in the random field. Using this approach, two distribution maps of the elastic modulus within bone lamellae were generated using simulation and compared with those obtained experimentally by a combination of atomic force microscopy and nanoindentation techniques. The simulation-generated maps of elastic modulus were in close agreement with the experimental ones, thus validating the random field approach in defining the inhomogeneity of elastic modulus in lamellae of bone. Indeed, generation of such random fields will facilitate multi-scale modeling of bone in more pragmatic details. Copyright © 2010 Elsevier Inc. All rights reserved.

  7. Spectral properties of waves in superlattices with 2D and 3D inhomogeneities

    International Nuclear Information System (INIS)

    Ignatchenko, V. A.; Tsikalov, D. S.

    2011-01-01

    We investigate the dynamic susceptibility and one-dimensional density of states in an initially sinusoidal superlattice containing simultaneously 2D phase inhomogeneities simulating correlated rough-nesses of superlattice interfaces and 3D amplitude inhomogeneities of the superlattice layer materials. The analytic expression for the averaged Green’s function of the sinusoidal superlattice with two phase inhomogeneities is derived in the Bourret approximation. It is shown that the effect of increasing asymmetry in the peak heights of dynamic susceptibility at the Brillouin zone boundary of the superlattice, which was discovered earlier [15] upon an increase in root-mean-square (rms) fluctuations, also takes place upon an increase in the correlation wavenumber of inhomogeneities. However, the peaks in this case also become closer, and the width and depth of the gap in the density of states decrease thereby. It is shown that the enhancement of rms fluctuations of 3D amplitude inhomogeneities in a superlattice containing 2D phase inhomogeneities suppresses the effect of dynamic susceptibility asymmetry and leads to a slight broadening of the gap in the density of states and a decrease in its depth. Targeted experiments aimed at detecting the effects studied here would facilitate the development of radio-spectroscopic and optical methods for identifying the presence of inhomogeneities of various dimensions in multilayer magnetic and optical structures.

  8. The process of adopting and incorporating simulation into undergraduate nursing curricula: a grounded theory study.

    Science.gov (United States)

    Taplay, Karyn; Jack, Susan M; Baxter, Pamela; Eva, Kevin; Martin, Lynn

    2015-01-01

    The aim of this study is to explain the process of adopting and incorporating simulation as a teaching strategy in undergraduate nursing programs, define uptake, and discuss potential outcomes. In many countries, simulation is increasingly adopted as a common teaching strategy. However, there is a dearth of knowledge related to the process of adoption and incorporation. We used an interpretive, constructivist approach to grounded theory to guide this research study. We conducted the study was in Ontario, Canada, during 2011-2012. Using multiple data sources, we informed the development of this theory including in-depth interviews (n = 43) and a review of key organizational documents, such as mission and vision statements (n = 67) from multiple nursing programs (n = 13). The adoption and uptake of mid- to high-fidelity simulation equipment is a multistep iterative process involving various organizational levels within the institution that entails a seven-phase process: (a) securing resources, (b) nursing leaders working in tandem, (c) getting it out of the box, (d) learning about simulation and its potential for teaching, (e) finding a fit, (f) trialing the equipment, and (g) integrating into the curriculum. These findings could assist nursing programs in Canada and internationally that wish to adopt or further incorporate simulation into their curricula and highlight potential organizational and program level outcomes. Crown Copyright © 2015. Published by Elsevier Inc. All rights reserved.

  9. Dissipation of Alfven waves in compressible inhomogeneous media

    International Nuclear Information System (INIS)

    Malara, F.; Primavera, L.; Veltri, P.

    1997-01-01

    In weakly dissipative media governed by the magnetohydrodynamics (MHD) equations, any efficient mechanism of energy dissipation requires the formation of small scales. Using numerical simulations, we study the properties of Alfven waves propagating in a compressible inhomogeneous medium, with an inhomogeneity transverse to the direction of wave propagation. Two dynamical effects, energy pinching and phase mixing, are responsible for the small-scales formation, similarly to the incompressible case. Moreover, compressive perturbations, slow waves and a static entropy wave are generated; the former are subject to steepening and form shock waves, which efficiently dissipate their energy, regardless of the Reynolds number. Rough estimates show that the dissipation times are consistent with those required to dissipate Alfven waves of photospheric origin inside the solar corona

  10. Sensitivity of resistive and Hall measurements to local inhomogeneities

    DEFF Research Database (Denmark)

    Koon, Daniel W.; Wang, Fei; Petersen, Dirch Hjorth

    2014-01-01

    We derive exact, analytic expressions for the sensitivity of sheet resistance and Hall sheet resistance measurements to local inhomogeneities for the cases of nonzero magnetic fields, strong perturbations, and perturbations over a finite area, extending our earlier results on weak perturbations. ...... simulations on both a linear four-point probe array on a large circular disc and a van der Pauw square geometry. Furthermore, the results also agree well with Náhlík et al. published experimental results for physical holes in a circular copper foil disc.......We derive exact, analytic expressions for the sensitivity of sheet resistance and Hall sheet resistance measurements to local inhomogeneities for the cases of nonzero magnetic fields, strong perturbations, and perturbations over a finite area, extending our earlier results on weak perturbations. We...

  11. The Prediction of Wave Competitions in Inhomogeneous Brusselator Systems

    International Nuclear Information System (INIS)

    Cui Xiao-Hua; Dong Yun-Xia; Huang Xiao-Qing; Li Ning

    2015-01-01

    The competition of waves has remained a hot topic in physics over the past few decades, especially the area of pattern control. Because of improved understanding of various dynamic behaviors, many practical applications have sprung up recently. The prediction of wave competitions is also very important and quite useful in these fields. This paper considers the behaviors of wave competitions in simple, inhomogeneous media which is modeled by Brusselator equations. We present a simple rule to judge the results of wave competitions utilizing the dispersion relation curves and the waves coming from different wave sources. Moreover, this rule can also be used to predict the results of wave propagation. It provides methods of obtaining the desired waves with given frequencies in inhomogeneous media. All our results are concluded and verified by computer simulations. (paper)

  12. Spin diffusion from an inhomogeneous quench in an integrable system.

    Science.gov (United States)

    Ljubotina, Marko; Žnidarič, Marko; Prosen, Tomaž

    2017-07-13

    Generalized hydrodynamics predicts universal ballistic transport in integrable lattice systems when prepared in generic inhomogeneous initial states. However, the ballistic contribution to transport can vanish in systems with additional discrete symmetries. Here we perform large scale numerical simulations of spin dynamics in the anisotropic Heisenberg XXZ spin 1/2 chain starting from an inhomogeneous mixed initial state which is symmetric with respect to a combination of spin reversal and spatial reflection. In the isotropic and easy-axis regimes we find non-ballistic spin transport which we analyse in detail in terms of scaling exponents of the transported magnetization and scaling profiles of the spin density. While in the easy-axis regime we find accurate evidence of normal diffusion, the spin transport in the isotropic case is clearly super-diffusive, with the scaling exponent very close to 2/3, but with universal scaling dynamics which obeys the diffusion equation in nonlinearly scaled time.

  13. Overview of theory and simulations in the Heavy Ion Fusion Science Virtual National Laboratory

    Science.gov (United States)

    Friedman, Alex

    2007-07-01

    The Heavy Ion Fusion Science Virtual National Laboratory (HIFS-VNL) is a collaboration of Lawrence Berkeley National Laboratory, Lawrence Livermore National Laboratory, and Princeton Plasma Physics Laboratory. These laboratories, in cooperation with researchers at other institutions, are carrying out a coordinated effort to apply intense ion beams as drivers for studies of the physics of matter at extreme conditions, and ultimately for inertial fusion energy. Progress on this endeavor depends upon coordinated application of experiments, theory, and simulations. This paper describes the state of the art, with an emphasis on the coordination of modeling and experiment; developments in the simulation tools, and in the methods that underly them, are also treated.

  14. Nonequilibrium Gyrokinetic Fluctuation Theory and Sampling Noise in Gyrokinetic Particle-in-cell Simulations

    International Nuclear Information System (INIS)

    Krommes, John A.

    2007-01-01

    The present state of the theory of fluctuations in gyrokinetic (GK) plasmas and especially its application to sampling noise in GK particle-in-cell (PIC) simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism

  15. Theory and Monte-Carlo simulation of adsorbates on corrugated surfaces

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    -phase between the commensurate and incommensurate phase stabilized by defects. Special attention has been given to the study of the epitaxial rotation angles of the different phases. Available experimental data is in agreement with the simulations and with a general theory for the epitaxial rotation which takes......Phase transitions in systems of adsorbed molecules on corrugated surfaces are studied by means of Monte Carlo simulation. Particularly, we have studied the phase diagram of D2 on graphite as a function of coverage and temperature. We have demonstrated the existence of an intermediate gamma...

  16. 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

  17. Nonequilibrium Gyrokinetic Fluctuation Theory and Sampling Noise in Gyrokinetic Particle-in-cell Simulations

    Energy Technology Data Exchange (ETDEWEB)

    John A. Krommes

    2007-10-09

    The present state of the theory of fluctuations in gyrokinetic GK plasmas and especially its application to sampling noise in GK particle-in-cell PIC simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism.

  18. Demonstration for novel self-organization theory by three-dimensional magnetohydrodynamic simulation

    International Nuclear Information System (INIS)

    Kondoh, Yoshiomi; Hosaka, Yasuo; Liang, Jia-Ling.

    1993-03-01

    It is demonstrated by three-dimensional simulations for resistive magnetohydrodynamic (MHD) plasmas with both 'spatially nonuniform resistivity η' and 'uniformη' that the attractor of the dissipative structure in the resistive MHD plasmas is given by ∇ x (ηj) = (α/2)B which is derived from a novel self-organization theory based on the minimum dissipation rate profile. It is shown by the simulations that the attractor is reduced to ∇ x B = λB in the special case with the 'uniformη' and no pressure gradient. (author)

  19. Dynamic modeling of presence of occupants using inhomogeneous Markov chains

    DEFF Research Database (Denmark)

    Andersen, Philip Hvidthøft Delff; Iversen, Anne; Madsen, Henrik

    2014-01-01

    on time of day, and by use of a filter of the observations it is able to capture per-employee sequence dynamics. Simulations using this method are compared with simulations using homogeneous Markov chains and show far better ability to reproduce key properties of the data. The method is based...... on inhomogeneous Markov chains with where the transition probabilities are estimated using generalized linear models with polynomials, B-splines, and a filter of passed observations as inputs. For treating the dispersion of the data series, a hierarchical model structure is used where one model is for low presence...

  20. Integration of multiple theories for the simulation of laser interference lithography processes.

    Science.gov (United States)

    Lin, Te-Hsun; Yang, Yin-Kuang; Fu, Chien-Chung

    2017-11-24

    The periodic structure of laser interference lithography (LIL) fabrication is superior to other lithography technologies. In contrast to traditional lithography, LIL has the advantages of being a simple optical system with no mask requirements, low cost, high depth of focus, and large patterning area in a single exposure. Generally, a simulation pattern for the periodic structure is obtained through optical interference prior to its fabrication through LIL. However, the LIL process is complex and combines the fields of optical and polymer materials; thus, a single simulation theory cannot reflect the real situation. Therefore, this research integrates multiple theories, including those of optical interference, standing waves, and photoresist characteristics, to create a mathematical model for the LIL process. The mathematical model can accurately estimate the exposure time and reduce the LIL process duration through trial and error.

  1. Integration of multiple theories for the simulation of laser interference lithography processes

    Science.gov (United States)

    Lin, Te-Hsun; Yang, Yin-Kuang; Fu, Chien-Chung

    2017-11-01

    The periodic structure of laser interference lithography (LIL) fabrication is superior to other lithography technologies. In contrast to traditional lithography, LIL has the advantages of being a simple optical system with no mask requirements, low cost, high depth of focus, and large patterning area in a single exposure. Generally, a simulation pattern for the periodic structure is obtained through optical interference prior to its fabrication through LIL. However, the LIL process is complex and combines the fields of optical and polymer materials; thus, a single simulation theory cannot reflect the real situation. Therefore, this research integrates multiple theories, including those of optical interference, standing waves, and photoresist characteristics, to create a mathematical model for the LIL process. The mathematical model can accurately estimate the exposure time and reduce the LIL process duration through trial and error.

  2. NONLINEAR EVOLUTION OF BEAM-PLASMA INSTABILITY IN INHOMOGENEOUS MEDIUM

    International Nuclear Information System (INIS)

    Ziebell, L. F.; Pavan, J.; Yoon, P. H.; Gaelzer, R.

    2011-01-01

    The problem of electron-beam propagation in inhomogeneous solar wind is intimately related to the solar type II and/or type III radio bursts. Many scientists have addressed this issue in the past by means of quasi-linear theory, but in order to fully characterize the nonlinear dynamics, one must employ weak-turbulence theory. Available numerical solutions of the weak-turbulence theory either rely on only one nonlinear process (either decay or scattering), or when both nonlinear terms are included, the inhomogeneity effect is generally ignored. The present paper reports the full solution of weak-turbulence theory that includes both decay and scattering processes, and also incorporating the effects of density gradient. It is found that the quasi-linear effect sufficiently accounts for the primary Langmuir waves, but to properly characterize the back-scattered Langmuir wave, which is important for eventual radiation generation, it is found that both nonlinear decay and scattering processes make comparable contributions. Such a finding may be important in the quantitative analysis of the plasma emission process with application to solar type II and/or type III radio bursts.

  3. MODELLING AND SIMULATING RISKS IN THE TRAINING OF THE HUMAN RESOURCES BY APPLYING THE CHAOS THEORY

    OpenAIRE

    Eugen ROTARESCU

    2012-01-01

    The article approaches the modelling and simulation of risks in the training of the human resources, as well as the forecast of the degree of human resources training impacted by risks by applying the mathematical tools offered by the Chaos Theory and mathematical statistics. We will highlight that the level of knowledge, skills and abilities of the human resources from an organization are autocorrelated in time and they depend on the level of a previous moment of the training, as well as on ...

  4. Simulations of N = 2 super Yang-Mills theory in two dimensions

    International Nuclear Information System (INIS)

    Catterall, Simon

    2006-01-01

    We present results from lattice simulations of N = 2 super Yang-Mills theory in two dimensions. The lattice formulation we use was developed and retains both gauge invariance and an exact (twisted) supersymmetry for any lattice spacing. Results for both U(2) and SU(2) gauge groups are given. We focus on supersymmetric Ward identities, the phase of the Pfaffian resulting from integration over the Grassmann fields and the nature of the quantum moduli space

  5. Time-dependent transport of energetic particles in magnetic turbulence: computer simulations versus analytical theory

    Science.gov (United States)

    Arendt, V.; Shalchi, A.

    2018-06-01

    We explore numerically the transport of energetic particles in a turbulent magnetic field configuration. A test-particle code is employed to compute running diffusion coefficients as well as particle distribution functions in the different directions of space. Our numerical findings are compared with models commonly used in diffusion theory such as Gaussian distribution functions and solutions of the cosmic ray Fokker-Planck equation. Furthermore, we compare the running diffusion coefficients across the mean magnetic field with solutions obtained from the time-dependent version of the unified non-linear transport theory. In most cases we find that particle distribution functions are indeed of Gaussian form as long as a two-component turbulence model is employed. For turbulence setups with reduced dimensionality, however, the Gaussian distribution can no longer be obtained. It is also shown that the unified non-linear transport theory agrees with simulated perpendicular diffusion coefficients as long as the pure two-dimensional model is excluded.

  6. A game theory simulator for assessing the performances of competitive electricity markets

    International Nuclear Information System (INIS)

    Bompard, Ettore; Carpaneto, Enrico; Ciwei, Gao; Napoli, Roberto; Benini, Michele; Gallanti, Massimo; Migliavacca, Gianluigi

    2008-01-01

    In the last years, electricity markets were created all over the world following different basis concepts. Market structure, market rules, demand levels, market concentration and energy sources to produce electricity have a strong influence on market performances. Modifications on these aspects may significantly affect market outcomes. Sensitivity analyses need proper simulation tools. In this paper a medium run electricity market simulator (MREMS) based on game theory is presented. This simulator incorporates two different games, one for the unit commitment of thermal units and one for strategic bidding and hourly market clearing. Either a Forchheimer (one leader) or Bertrand (all player are leaders) or even intermediate model with a whatever number of leaders can be selected, in dependence on the strategic behavior of the producers, allowing for the simulation of markets with different levels of concentration. The simulator was applied to analyse producers' behavior during the first operative year of the Italian power exchange. A comparison between simulation and true market results was carried out in order to test the simulator and validate its simplifying hypotheses. MREMS, yet capable to be used stand-alone, was conceived as the heart of a long-term market simulator (LREMS) allowing to simulate the long-run evolution of the generation park (investments in new plants, refurbishment and dismission of older ones). LREMS is a hierarchic simulator: a long-term ''outer'' game takes yearly investment decisions based on mid-term price projections provided by MREMS. Although this paper is mainly devoted to describe MREMS, one specific section will provide an overview of the ''outer'' game implemented by LREMS. (author)

  7. Full-band quantum simulation of electron devices with the pseudopotential method: Theory, implementation, and applications

    Science.gov (United States)

    Pala, M. G.; Esseni, D.

    2018-03-01

    This paper presents the theory, implementation, and application of a quantum transport modeling approach based on the nonequilibrium Green's function formalism and a full-band empirical pseudopotential Hamiltonian. We here propose to employ a hybrid real-space/plane-wave basis that results in a significant reduction of the computational complexity compared to a full plane-wave basis. To this purpose, we provide a theoretical formulation in the hybrid basis of the quantum confinement, the self-energies of the leads, and the coupling between the device and the leads. After discussing the theory and the implementation of the new simulation methodology, we report results for complete, self-consistent simulations of different electron devices, including a silicon Esaki diode, a thin-body silicon field effect transistor (FET), and a germanium tunnel FET. The simulated transistors have technologically relevant geometrical features with a semiconductor film thickness of about 4 nm and a channel length ranging from 10 to 17 nm. We believe that the newly proposed formalism may find applications also in transport models based on ab initio Hamiltonians, as those employed in density functional theory methods.

  8. Inhomogenous loop quantum cosmology with matter

    International Nuclear Information System (INIS)

    Martín-de Bias, D; Mena Marugán, G A; Martín-Benito, M

    2012-01-01

    The linearly polarized Gowdy T 3 model with a massless scalar field with the same symmetries as the metric is quantized by applying a hybrid approach. The homogeneous geometry degrees of freedom are loop quantized, fact which leads to the resolution of the cosmological singularity, while a Fock quantization is employed for both matter and gravitational inhomogeneities. Owing to the inclusion of the massless scalar field this system allows us to modelize flat Friedmann-Robertson-Walker cosmologies filled with inhomogeneities propagating in one direction. It provides a perfect scenario to study the quantum back-reaction between the inhomogeneities and the polymeric homogeneous and isotropic background.

  9. Inhomogeneous electric field air cleaner

    International Nuclear Information System (INIS)

    Schuster, B.G.

    1976-01-01

    For applications requiring the filtration of air contaminated with enriched uranium, plutonium or other transuranium compounds, it appears desirable to collect the material in a fashion more amenable to recovery than is now practical when material is collected on HEPA filters. In some instances, it may also be desirable to use an air cleaner of this type to substantially reduce the loading to which HEPA filters are subjected. A theoretical evaluation of such an air cleaner considers the interaction between an electrically neutral particle, dielectric or conducting, with an inhomogeneous electric field. An expression is derived for the force exerted on a particle in an electrode configuration of two concentric cylinders. Equations of motion are obtained for a particle suspended in a laminar flow of air passing through this geometry. An electrical quadrupole geometry is also examined and shown to be inferior to the cylindrical one. The results of two separate configurations of the single cell prototypes of the proposed air cleaner are described. These tests were designed to evaluate collection efficiencies using mono-disperse polystyrene latex and polydisperse NaCl aerosols. The advantages and problems of such systems in terms of a large scale air cleaning facility will be discussed

  10. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

    Science.gov (United States)

    Ma, Manman; Xu, Zhenli

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  11. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Manman, E-mail: mmm@sjtu.edu.cn; Xu, Zhenli, E-mail: xuzl@sjtu.edu.cn [Department of Mathematics, Institute of Natural Sciences, and MoE Key Laboratory of Scientific and Engineering Computing, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  12. Using MERRA-2 analysis fields to simulate limb scattered radiance profiles for inhomogeneous atmospheric lines of sight: Preparation for data assimilation of OMPS LP radiances through 2D single-scattering GSLS radiative transfer model development

    Science.gov (United States)

    Loughman, R. P.; Bhartia, P. K.; Moy, L.; Kramarova, N. A.; Wargan, K.

    2016-12-01

    Many remote sensing techniques used to monitor the Earth's upper atmosphere fall into the broad category of "limb viewing" (LV) measurements, which includes any method for which the line of sight (LOS) fails to intersect the surface. Occultation, limb emission and limb scattering (LS) measurements are all LV methods that offer strong sensitivity to changes in the atmosphere near the tangent point of the LOS, due to the enhanced geometric path through the tangent layer (where the concentration also typically peaks, for most atmospheric species). But many of the retrieval algorithms used to interpret LV measurements assume that the atmosphere consists of "spherical shells", in which the atmospheric properties vary only with altitude (creating a 1D atmosphere). This assumption simplifies the analysis, but at the possible price of misinterpreting measurements made in the real atmosphere. In this presentation, we focus on the problem of LOS inhomogeneity for LS measurements made by the OMPS Limb Profiler (LP) instrument during the 2015 ozone hole period. The GSLS radiative transfer model (RTM) used in the default OMPS LP algorithms assumes a spherical-shell atmosphere defined at levels spaced 1 km apart, with extinction coefficients assumed to vary linearly with height between levels. Several recent improvements enable an updated single-scattering version of the GSLS RTM to ingest 3D MERRA-2 analysis fields (including temperature, pressure, and ozone concentration) when creating the model atmosphere, by introducing flexible altitude grids, flexible atmospheric specification along the LOS, and improved treatment of the radiative transfer within each atmospheric layer. As a result, the effect of LOS inhomogeneity on the current (1D) OMPS LP retrieval algorithm can now be studied theoretically, using realistic 3D atmospheric profiles. This work also represents a step towards enabling OMPS LP data to be ingested as part of future data assimilation efforts.

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

    KAUST Repository

    Boll, Torben

    2012-10-01

    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 are based on the Müller-Schottky equation, which is modified to include different atomic neighborhoods and their characteristic bonds. The local environment is considered up to the fifth next nearest neighbors. To compare the experimental with simulated APT data, the AtomVicinity algorithm, which provides statistical information about the positions of the neighboring atoms, is applied. The quality of this information is influenced by the field evaporation behavior of the different species, which is connected to the bonding energies. © Microscopy Society of America 2012.

  14. THE ANALYSIS OF THE COMPREHENSIVE INSURANCE DEMAND FOR TURKEY USING UTILITY THEORY AND SYSTEM SIMULATION

    Directory of Open Access Journals (Sweden)

    Murat KIRKAĞAÇ

    2017-03-01

    Full Text Available In this study, the demand for comprehensive insurance is analysed using utility theory and system simulation. A simulation study is performed to assess the behaviour of individuals with different income levels for the demand of comprehensive insurance. Simulation assumptions and input-output variables are determined using the real data set from a Turkish insurance company and the report about the insurance activities in Turkey for year 2014. The effects of income level, expected claim severity and premium level on the demand for insurance are investigated. It is concluded that while an increase in income level and expected claim severity causes an increase in the demand, an increase in premium level causes a decrease in the demand.

  15. Plasma waves in an inhomogeneous cylindrical plasma

    International Nuclear Information System (INIS)

    Pesic, S.S.

    1976-01-01

    The complete dispersion equation governing small amplitude plasma waves propagating in an inhomogeneous cylindrical plasma confined by a helical magnetic field is solved numerically. The efficiency of the wave energy thermalization in the lower hybrid frequency range is studied

  16. 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

  17. Lattice simulation of a center symmetric three dimensional effective theory for SU(2) Yang-Mills

    International Nuclear Information System (INIS)

    Smith, Dominik

    2010-01-01

    We present lattice simulations of a center symmetric dimensionally reduced effective field theory for SU(2) Yang Mills which employ thermal Wilson lines and three-dimensional magnetic fields as fundamental degrees of freedom. The action is composed of a gauge invariant kinetic term, spatial gauge fields and a potential for theWilson line which includes a ''fuzzy'' bag term to generate non-perturbative fluctuations between Z(2) degenerate ground states. The model is studied in the limit where the gauge fields are set to zero as well as the full model with gauge fields. We confirm that, at moderately weak coupling, the ''fuzzy'' bag term leads to eigenvalue repulsion in a finite region above the deconfining phase transition which shrinks in the extreme weak-coupling limit. A non-trivial Z(N) symmetric vacuum arises in the confined phase. The effective potential for the Polyakov loop in the theory with gauge fields is extracted from the simulations including all modes of the loop as well as for cooled configurations where the hard modes have been averaged out. The former is found to exhibit a non-analytic contribution while the latter can be described by a mean-field like ansatz with quadratic and quartic terms, plus a Vandermonde potential which depends upon the location within the phase diagram. Other results include the exact location of the phase boundary in the plane spanned by the coupling parameters, correlation lengths of several operators in the magnetic and electric sectors and the spatial string tension. We also present results from simulations of the full 4D Yang-Mills theory and attempt to make a qualitative comparison to the 3D effective theory. (orig.)

  18. Lattice simulation of a center symmetric three dimensional effective theory for SU(2) Yang-Mills

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Dominik

    2010-11-17

    We present lattice simulations of a center symmetric dimensionally reduced effective field theory for SU(2) Yang Mills which employ thermal Wilson lines and three-dimensional magnetic fields as fundamental degrees of freedom. The action is composed of a gauge invariant kinetic term, spatial gauge fields and a potential for theWilson line which includes a ''fuzzy'' bag term to generate non-perturbative fluctuations between Z(2) degenerate ground states. The model is studied in the limit where the gauge fields are set to zero as well as the full model with gauge fields. We confirm that, at moderately weak coupling, the ''fuzzy'' bag term leads to eigenvalue repulsion in a finite region above the deconfining phase transition which shrinks in the extreme weak-coupling limit. A non-trivial Z(N) symmetric vacuum arises in the confined phase. The effective potential for the Polyakov loop in the theory with gauge fields is extracted from the simulations including all modes of the loop as well as for cooled configurations where the hard modes have been averaged out. The former is found to exhibit a non-analytic contribution while the latter can be described by a mean-field like ansatz with quadratic and quartic terms, plus a Vandermonde potential which depends upon the location within the phase diagram. Other results include the exact location of the phase boundary in the plane spanned by the coupling parameters, correlation lengths of several operators in the magnetic and electric sectors and the spatial string tension. We also present results from simulations of the full 4D Yang-Mills theory and attempt to make a qualitative comparison to the 3D effective theory. (orig.)

  19. Ehrenfest force in inhomogeneous magnetic field

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Samojlov, V.N.

    2000-01-01

    The Ehrenfest force in an inhomogeneous magnetic field is calculated. It is shown that there exist such (very rare) topologically nontrivial physical situations when the Gauss theorem in its classic formulation fails and, as a consequence, apart from the usual Lorentz force an additional, purely imaginary force acts on the charged particle. This force arises only in inhomogeneous magnetic fields of special configurations, has a purely quantum origin, and disappears in the classical limit

  20. Impact of cosmic inhomogeneities on SNe observations

    Science.gov (United States)

    Kainulainen, Kimmo; Marra, Valerio

    2010-06-01

    We study the impact of cosmic inhomogeneities on the interpretation of SNe observations. We build an inhomogeneous universe model that can confront supernova data and yet is reasonably well compatible with the Copernican Principle. Our model combines a relatively small local void, that gives apparent acceleration at low redshifts, with a meatball model that gives sizeable lensing (dimming) at high redshifts. Together these two elements, which focus on different effects of voids on the data, allow the model to mimic the concordance model.

  1. Inhomogeneous inflation: The initial-value problem

    International Nuclear Information System (INIS)

    Laguna, P.; Kurki-Suonio, H.; Matzner, R.A.

    1991-01-01

    We present a spatially three-dimensional study for solving the initial-value problem in general relativity for inhomogeneous cosmologies. We use York's conformal approach to solve the constraint equations of Einstein's field equations for scalar field sources and find the initial data which will be used in the evolution. This work constitutes the first stage in the development of a code to analyze the effects of matter and spacetime inhomogeneities on inflation

  2. An object oriented code for simulating supersymmetric Yang-Mills theories

    Science.gov (United States)

    Catterall, Simon; Joseph, Anosh

    2012-06-01

    We present SUSY_LATTICE - a C++ program that can be used to simulate certain classes of supersymmetric Yang-Mills (SYM) theories, including the well known N=4 SYM in four dimensions, on a flat Euclidean space-time lattice. Discretization of SYM theories is an old problem in lattice field theory. It has resisted solution until recently when new ideas drawn from orbifold constructions and topological field theories have been brought to bear on the question. The result has been the creation of a new class of lattice gauge theories in which the lattice action is invariant under one or more supersymmetries. The resultant theories are local, free of doublers and also possess exact gauge-invariance. In principle they form the basis for a truly non-perturbative definition of the continuum SYM theories. In the continuum limit they reproduce versions of the SYM theories formulated in terms of twisted fields, which on a flat space-time is just a change of the field variables. In this paper, we briefly review these ideas and then go on to provide the details of the C++ code. We sketch the design of the code, with particular emphasis being placed on SYM theories with N=(2,2) in two dimensions and N=4 in three and four dimensions, making one-to-one comparisons between the essential components of the SYM theories and their corresponding counterparts appearing in the simulation code. The code may be used to compute several quantities associated with the SYM theories such as the Polyakov loop, mean energy, and the width of the scalar eigenvalue distributions. Program summaryProgram title: SUSY_LATTICE Catalogue identifier: AELS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 9315 No. of bytes in distributed program

  3. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices

    International Nuclear Information System (INIS)

    Cramer, M.; Eisert, J.; Illuminati, F.

    2004-01-01

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices

  4. Inhomogeneous atomic Bose-Fermi mixtures in cubic lattices.

    Science.gov (United States)

    Cramer, M; Eisert, J; Illuminati, F

    2004-11-05

    We determine the ground state properties of inhomogeneous mixtures of bosons and fermions in cubic lattices and parabolic confining potentials. For finite hopping we determine the domain boundaries between Mott-insulator plateaux and hopping-dominated regions for lattices of arbitrary dimension within mean-field and perturbation theory. The results are compared with a new numerical method that is based on a Gutzwiller variational approach for the bosons and an exact treatment for the fermions. The findings can be applied as a guideline for future experiments with trapped atomic Bose-Fermi mixtures in optical lattices.

  5. Integrating Soft Set Theory and Fuzzy Linguistic Model to Evaluate the Performance of Training Simulation Systems.

    Science.gov (United States)

    Chang, Kuei-Hu; Chang, Yung-Chia; Chain, Kai; Chung, Hsiang-Yu

    2016-01-01

    The advancement of high technologies and the arrival of the information age have caused changes to the modern warfare. The military forces of many countries have replaced partially real training drills with training simulation systems to achieve combat readiness. However, considerable types of training simulation systems are used in military settings. In addition, differences in system set up time, functions, the environment, and the competency of system operators, as well as incomplete information have made it difficult to evaluate the performance of training simulation systems. To address the aforementioned problems, this study integrated analytic hierarchy process, soft set theory, and the fuzzy linguistic representation model to evaluate the performance of various training simulation systems. Furthermore, importance-performance analysis was adopted to examine the influence of saving costs and training safety of training simulation systems. The findings of this study are expected to facilitate applying military training simulation systems, avoiding wasting of resources (e.g., low utility and idle time), and providing data for subsequent applications and analysis. To verify the method proposed in this study, the numerical examples of the performance evaluation of training simulation systems were adopted and compared with the numerical results of an AHP and a novel AHP-based ranking technique. The results verified that not only could expert-provided questionnaire information be fully considered to lower the repetition rate of performance ranking, but a two-dimensional graph could also be used to help administrators allocate limited resources, thereby enhancing the investment benefits and training effectiveness of a training simulation system.

  6. Continuum modeling of twinning, amorphization, and fracture: theory and numerical simulations

    Science.gov (United States)

    Clayton, J. D.; Knap, J.

    2018-03-01

    A continuum mechanical theory is used to model physical mechanisms of twinning, solid-solid phase transformations, and failure by cavitation and shear fracture. Such a sequence of mechanisms has been observed in atomic simulations and/or experiments on the ceramic boron carbide. In the present modeling approach, geometric quantities such as the metric tensor and connection coefficients can depend on one or more director vectors, also called internal state vectors. After development of the general nonlinear theory, a first problem class considers simple shear deformation of a single crystal of this material. For homogeneous fields or stress-free states, algebraic systems or ordinary differential equations are obtained that can be solved by numerical iteration. Results are in general agreement with atomic simulation, without introduction of fitted parameters. The second class of problems addresses the more complex mechanics of heterogeneous deformation and stress states involved in deformation and failure of polycrystals. Finite element calculations, in which individual grains in a three-dimensional polycrystal are fully resolved, invoke a partially linearized version of the theory. Results provide new insight into effects of crystal morphology, activity or inactivity of different inelasticity mechanisms, and imposed deformation histories on strength and failure of the aggregate under compression and shear. The importance of incorporation of inelastic shear deformation in realistic models of amorphization of boron carbide is noted, as is a greater reduction in overall strength of polycrystals containing one or a few dominant flaws rather than many diffusely distributed microcracks.

  7. Annealing effect on Schottky barrier inhomogeneity of graphene/n-type Si Schottky diodes

    International Nuclear Information System (INIS)

    Lin, Yow-Jon; Lin, Jian-Huang

    2014-01-01

    Highlights: • The current–voltage characteristics of graphene/n-type Si devices were measured. • The ideality factor increases with the decrease measurement temperatures. • Such behavior is attributed to Schottky barrier inhomogeneities. • Both Schottky barrier inhomogeneity and the T 0 effect are affected by annealing. • Stoichiometry of SiO x has a noticeable effect on the inhomogeneous barriers. - Abstract: The current–voltage characteristics of graphene/n-type Si (n-Si) Schottky diodes with and without annealing were measured in the temperature range of −120 to 30 °C and analyzed on the basis of thermionic emission theory. It is found that the barrier height decreases and the ideality factor increases with the decrease measurement temperatures. Such behavior is attributed to Schottky barrier inhomogeneities. It is shown that both the barrier height and the ideality factor can be tuned by changing the annealing temperature. Through the analysis, it can be suspected that a SiO x layer at the graphene/n-Si interfaces influences the electronic conduction through the device and stoichiometry of SiO x is affected by annealing treatment. In addition, both Schottky barrier inhomogeneity and the T 0 effect are affected by annealing treatment, implying that stoichiometry of SiO x has a noticeable effect on the inhomogeneous barriers of graphene/n-Si Schottky diodes

  8. 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)

  9. Simulations of a stretching bar using a plasticity model from the shear transformation zone theory

    Energy Technology Data Exchange (ETDEWEB)

    Rycroft, Chris H.; Gibou, Frederic

    2010-06-05

    An Eulerian simulation is developed to study an elastoplastic model of amorphous materials that is based upon the shear transformation zone theory developed by Langer and coworkers. In this theory, plastic deformation is controlled by an effective temperature that measures the amount of configurational disorder in the material. The simulation is used to model ductile fracture in a stretching bar that initially contains a small notch, and the effects of many of the model parameters are examined. The simulation tracks the shape of the bar using the level set method. Within the bar, a finite difference discretization is employed that makes use of the essentially non-oscillatory (ENO) scheme. The system of equations is moderately stiff due to the presence of large elastic constants, and one of the key numerical challenges is to accurately track the level set and construct extrapolated field values for use in boundary conditions. A new approach to field extrapolation is discussed that is second order accurate and requires a constant amount of work per gridpoint.

  10. Reliability theory for repair service organization simulation and increase of innovative attraction of industrial enterprises

    Science.gov (United States)

    Dolzhenkova, E. V.; Iurieva, L. V.

    2018-05-01

    The study presents the author's algorithm for the industrial enterprise repair service organization simulation based on the reliability theory, as well as the results of its application. The monitoring of the industrial enterprise repair service organization is proposed to perform on the basis of the enterprise's state indexes for the main resources (equipment, labour, finances, repair areas), which allows quantitative evaluation of the reliability level as a resulting summary rating of the said parameters and the ensuring of an appropriate level of the operation reliability of the serviced technical objects. Under the conditions of the tough competition, the following approach is advisable: the higher efficiency of production and a repair service itself, the higher the innovative attractiveness of an industrial enterprise. The results of the calculations show that in order to prevent inefficient losses of production and to reduce the repair costs, it is advisable to apply the reliability theory. The overall reliability rating calculated on the basis of the author's algorithm has low values. The processing of the statistical data forms the reliability characteristics for the different workshops and services of an industrial enterprise, which allows one to define the failure rates of the various units of equipment and to establish the reliability indexes necessary for the subsequent mathematical simulation. The proposed simulating algorithm contributes to an increase of the efficiency of the repair service organization and improvement of the innovative attraction of an industrial enterprise.

  11. Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation

    Directory of Open Access Journals (Sweden)

    Yue Hou

    2017-02-01

    Full Text Available Fundamental understanding of micro-mechanical behaviors in bitumen, including phase separation, micro-friction, micro-abrasion, etc., can help the pavement engineers better understand the bitumen mechanical performances at macroscale. Recent researches show that the microstructure evolution in bitumen will directly affect its surface structure and micro-mechanical performance. In this study, the bitumen microstructure and micro-mechanical behaviors are studied using Atomic Force Microscopy (AFM experiments, Phase Dynamics Theory and Molecular Dynamics (MD Simulation. The AFM experiment results show that different phase-structure will occur at the surface of the bitumen samples under certain thermodynamic conditions at microscale. The phenomenon can be explained using the phase dynamics theory, where the effects of stability parameter and temperature on bitumen microstructure and micro-mechanical behavior are studied combined with MD Simulation. Simulation results show that the saturates phase, in contrast to the naphthene aromatics phase, plays a major role in bitumen micro-mechanical behavior. A high stress zone occurs at the interface between the saturates phase and the naphthene aromatics phase, which may form discontinuities that further affect the bitumen frictional performance.

  12. Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation.

    Science.gov (United States)

    Hou, Yue; Wang, Linbing; Wang, Dawei; Guo, Meng; Liu, Pengfei; Yu, Jianxin

    2017-02-21

    Fundamental understanding of micro-mechanical behaviors in bitumen, including phase separation, micro-friction, micro-abrasion, etc., can help the pavement engineers better understand the bitumen mechanical performances at macroscale. Recent researches show that the microstructure evolution in bitumen will directly affect its surface structure and micro-mechanical performance. In this study, the bitumen microstructure and micro-mechanical behaviors are studied using Atomic Force Microscopy (AFM) experiments, Phase Dynamics Theory and Molecular Dynamics (MD) Simulation. The AFM experiment results show that different phase-structure will occur at the surface of the bitumen samples under certain thermodynamic conditions at microscale. The phenomenon can be explained using the phase dynamics theory, where the effects of stability parameter and temperature on bitumen microstructure and micro-mechanical behavior are studied combined with MD Simulation. Simulation results show that the saturates phase, in contrast to the naphthene aromatics phase, plays a major role in bitumen micro-mechanical behavior. A high stress zone occurs at the interface between the saturates phase and the naphthene aromatics phase, which may form discontinuities that further affect the bitumen frictional performance.

  13. Theories, Methods and Numerical Technology of Sheet Metal Cold and Hot Forming Analysis, Simulation and Engineering Applications

    CERN Document Server

    Hu, Ping; Liu, Li-zhong; Zhu, Yi-guo

    2013-01-01

    Over the last 15 years, the application of innovative steel concepts in the automotive industry has increased steadily. Numerical simulation technology of hot forming of high-strength steel allows engineers to modify the formability of hot forming steel metals and to optimize die design schemes. Theories, Methods and Numerical Technology of Sheet Metal Cold and Hot Forming focuses on hot and cold forming theories, numerical methods, relative simulation and experiment techniques for high-strength steel forming and die design in the automobile industry. Theories, Methods and Numerical Technology of Sheet Metal Cold and Hot Forming introduces the general theories of cold forming, then expands upon advanced hot forming theories and simulation methods, including: • the forming process, • constitutive equations, • hot boundary constraint treatment, and • hot forming equipment and experiments. Various calculation methods of cold and hot forming, based on the authors’ experience in commercial CAE software f...

  14. The interplay between Reynolds stress and zonal flows: direct numerical simulation as a bridge between theory and experiment

    International Nuclear Information System (INIS)

    Vergote, M; Schoor, M Van; Xu, Y; Jachmich, S; Weynants, R

    2006-01-01

    We describe the results of a measurement campaign on the CASTOR tokamak where the drive of flows and zonal flows by Reynolds stress was investigated by means of a dual probe head system allowing us to measure the properties of the electrostatic turbulence and the rotation velocities at the same location and at the same moment. We compare these experimental results with a turbulence model linked to a one dimensional fluid model describing the electrostatic turbulence and its influence on the background flow. The turbulence is simulated locally on the basis of the Hasegawa-Wakatani equations, completed with magnetic inhomogeneity terms. In the fluid model the toroidal geometry is correctly taken into account, while various sources and sinks like viscosity, interaction with neutrals, Reynolds stress and electric current induced by biasing are included. The good agreement of the predicted flow with the measured one demonstrates that in a pure cylindrical geometry the modelled strength of Reynolds stress acceleration of flow is overestimated

  15. 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.

  16. Nonlocal strain gradient theory calibration using molecular dynamics simulation based on small scale vibration of nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Mehralian, Fahimeh [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Tadi Beni, Yaghoub, E-mail: tadi@eng.sku.ac.ir [Faculty of Engineering, Shahrekord University, Shahrekord (Iran, Islamic Republic of); Karimi Zeverdejani, Mehran [Mechanical Engineering Department, Shahrekord University, Shahrekord (Iran, Islamic Republic of)

    2017-06-01

    Featured by two small length scale parameters, nonlocal strain gradient theory is utilized to investigate the free vibration of nanotubes. A new size-dependent shell model formulation is developed by using the first order shear deformation theory. The governing equations and boundary conditions are obtained using Hamilton's principle and solved for simply supported boundary condition. As main purpose of this study, since the values of two small length scale parameters are still unknown, they are calibrated by the means of molecular dynamics simulations (MDs). Then, the influences of different parameters such as nonlocal parameter, scale factor, length and thickness on vibration characteristics of nanotubes are studied. It is also shown that increase in thickness and decrease in length parameters intensify the effect of nonlocal parameter and scale factor.

  17. Nearly incompressible fluids: Hydrodynamics and large scale inhomogeneity

    International Nuclear Information System (INIS)

    Hunana, P.; Zank, G. P.; Shaikh, D.

    2006-01-01

    A system of hydrodynamic equations in the presence of large-scale inhomogeneities for a high plasma beta solar wind is derived. The theory is derived under the assumption of low turbulent Mach number and is developed for the flows where the usual incompressible description is not satisfactory and a full compressible treatment is too complex for any analytical studies. When the effects of compressibility are incorporated only weakly, a new description, referred to as 'nearly incompressible hydrodynamics', is obtained. The nearly incompressible theory, was originally applied to homogeneous flows. However, large-scale gradients in density, pressure, temperature, etc., are typical in the solar wind and it was unclear how inhomogeneities would affect the usual incompressible and nearly incompressible descriptions. In the homogeneous case, the lowest order expansion of the fully compressible equations leads to the usual incompressible equations, followed at higher orders by the nearly incompressible equations, as introduced by Zank and Matthaeus. With this work we show that the inclusion of large-scale inhomogeneities (in this case time-independent and radially symmetric background solar wind) modifies the leading-order incompressible description of solar wind flow. We find, for example, that the divergence of velocity fluctuations is nonsolenoidal and that density fluctuations can be described to leading order as a passive scalar. Locally (for small lengthscales), this system of equations converges to the usual incompressible equations and we therefore use the term 'locally incompressible' to describe the equations. This term should be distinguished from the term 'nearly incompressible', which is reserved for higher-order corrections. Furthermore, we find that density fluctuations scale with Mach number linearly, in contrast to the original homogeneous nearly incompressible theory, in which density fluctuations scale with the square of Mach number. Inhomogeneous nearly

  18. Rate Theory Modeling and Simulation of Silicide Fuel at LWR Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinbin [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Ye, Bei [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Hofman, Gerard [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Yacout, Abdellatif [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division; Gamble, Kyle [Idaho National Lab. (INL), Idaho Falls, ID (United States). Fuel Modeling and Simulation; Mei, Zhi-Gang [Argonne National Lab. (ANL), Argonne, IL (United States). Nuclear Engineering Division

    2016-08-29

    As a promising candidate for the accident tolerant fuel (ATF) used in light water reactors (LWRs), the fuel performance of uranium silicide (U3Si2) at LWR conditions needs to be well understood. In this report, rate theory model was developed based on existing experimental data and density functional theory (DFT) calculations so as to predict the fission gas behavior in U3Si2 at LWR conditions. The fission gas behavior of U3Si2 can be divided into three temperature regimes. During steady-state operation, the majority of the fission gas stays in intragranular bubbles, whereas the dominance of intergranular bubbles and fission gas release only occurs beyond 1000 K. The steady-state rate theory model was also used as reference to establish a gaseous swelling correlation of U3Si2 for the BISON code. Meanwhile, the overpressurized bubble model was also developed so that the fission gas behavior at LOCA can be simulated. LOCA simulation showed that intragranular bubbles are still dominant after a 70 second LOCA, resulting in a controllable gaseous swelling. The fission gas behavior of U3Si2 at LWR conditions is benign according to the rate theory prediction at both steady-state and LOCA conditions, which provides important references to the qualification of U3Si2 as a LWR fuel material with excellent fuel performance and enhanced accident tolerance.

  19. Toward a Unified Theory of Work: Organizational Simulations and Policy Analyses

    National Research Council Canada - National Science Library

    Vaughan, David

    2002-01-01

    .... This unified theory of work will connect theories of human traits and states, theories of task and job characteristics, theories of job/task performance, and perhaps theories of organizational behavior...

  20. Confabulating, misremembering, relearning: The simulation theory of memory and unsuccessful remembering

    Directory of Open Access Journals (Sweden)

    Kourken Michaelian

    2016-11-01

    Full Text Available This articles develops a taxonomy of memory errors in terms of three conditions: the accuracy of the memory representation, the reliability of the memory process, and the internality (with respect to the remembering subject of that process. Unlike previous taxonomies, which appeal to retention of information rather than reliability or internality, this taxonomy can accommodate not only misremembering (e.g., the DRM effect, falsidical confabulation, and veridical relearning but also veridical confabulation and falsidical relearning. Moreover, because it does not assume that successful remembering presupposes retention of information, the taxonomy is compatible with recent simulation theories of remembering.

  1. Dispersion and damping of two-dimensional dust acoustic waves: theory and simulation

    International Nuclear Information System (INIS)

    Upadhyaya, Nitin; Miskovic, Z L; Hou, L-J

    2010-01-01

    A two-dimensional generalized hydrodynamics (GH) model is developed to study the full spectrum of both longitudinal and transverse dust acoustic waves (DAW) in strongly coupled complex (dusty) plasmas, with memory-function-formalism being implemented to enforce high-frequency sum rules. Results are compared with earlier theories (such as quasi-localized charge approximation and its extended version) and with a self-consistent Brownian dynamics simulation. It is found that the GH approach provides a good account, not only of dispersion relations, but also of damping rates of the DAW modes in a wide range of coupling strengths, an issue hitherto not fully addressed for dusty plasmas.

  2. Reaction-diffusion fronts with inhomogeneous initial conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bena, I [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Droz, M [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Martens, K [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneva 4 (Switzerland); Racz, Z [Institute for Theoretical Physics, Eoetvoes University, 1117 Budapest (Hungary)

    2007-02-14

    Properties of reaction zones resulting from A+B {yields} C type reaction-diffusion processes are investigated by analytical and numerical methods. The reagents A and B are separated initially and, in addition, there is an initial macroscopic inhomogeneity in the distribution of the B species. For simple two-dimensional geometries, exact analytical results are presented for the time evolution of the geometric shape of the front. We also show using cellular automata simulations that the fluctuations can be neglected both in the shape and in the width of the front.

  3. The interstellar medium, expanding nebulae and triggered star formation theory and simulations

    CERN Document Server

    Bisbas, Thomas G

    2016-01-01

    This brief brings together the theoretical aspects of star formation and ionized regions with the most up-to-date simulations and observations. Beginning with the basic theory of star formation, the physics of expanding HII regions is reviewed in detail and a discussion on how a massive star can give birth to tens or hundreds of other stars follows. The theoretical description of star formation is shown in simplified and state-of-the-art numerical simulations, describing in a more clear way how feedback from massive stars can trigger star and planet formation. This is also combined with spectacular images of nebulae taken by talented amateur astronomers. The latter is very likely to stimulate the reader to observe the structure of nebulae from a different point of view, and better understand the associated star formation therein.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-08-28

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

  5. E × B electron drift instability in Hall thrusters: Particle-in-cell simulations vs. theory

    Science.gov (United States)

    Boeuf, J. P.; Garrigues, L.

    2018-06-01

    The E × B Electron Drift Instability (E × B EDI), also called Electron Cyclotron Drift Instability, has been observed in recent particle simulations of Hall thrusters and is a possible candidate to explain anomalous electron transport across the magnetic field in these devices. This instability is characterized by the development of an azimuthal wave with wavelength in the mm range and velocity on the order of the ion acoustic velocity, which enhances electron transport across the magnetic field. In this paper, we study the development and convection of the E × B EDI in the acceleration and near plume regions of a Hall thruster using a simplified 2D axial-azimuthal Particle-In-Cell simulation. The simulation is collisionless and the ionization profile is not-self-consistent but rather is given as an input parameter of the model. The aim is to study the development and properties of the instability for different values of the ionization rate (i.e., of the total ion production rate or current) and to compare the results with the theory. An important result is that the wavelength of the simulated azimuthal wave scales as the electron Debye length and that its frequency is on the order of the ion plasma frequency. This is consistent with the theory predicting destruction of electron cyclotron resonance of the E × B EDI in the non-linear regime resulting in the transition to an ion acoustic instability. The simulations also show that for plasma densities smaller than under nominal conditions of Hall thrusters the field fluctuations induced by the E × B EDI are no longer sufficient to significantly enhance electron transport across the magnetic field, and transit time instabilities develop in the axial direction. The conditions and results of the simulations are described in detail in this paper and they can serve as benchmarks for comparisons between different simulation codes. Such benchmarks would be very useful to study the role of numerical noise (numerical

  6. Evaluation of planning dose accuracy in case of radiation treatment on inhomogeneous organ structure

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Chan Yong; Lee, Jae Hee; Kwak, Yong Kook; Ha, Min Yong [Dept. of Radiation Oncology, Seoul National University Hospital, Seoul (Korea, Republic of)

    2013-09-15

    We are to find out the difference of calculated dose of treatment planning system (TPS) and measured dose in case of inhomogeneous organ structure. Inhomogeneous phantom is made with solid water phantom and cork plate. CT image of inhomogeneous phantom is acquired. Treatment plan is made with TPS (Pinnacle3 9.2. Royal Philips Electronics, Netherlands) and calculated dose of point of interest is acquired. Treatment plan was delivered in the inhomogeneous phantom by ARTISTE (Siemens AG, Germany) measured dose of each point of interest is obtained with Gafchromic EBT2 film (International Specialty Products, US) in the gap between solid water phantom or cork plate. To simulate lung cancer radiation treatment, artificial tumor target of paraffin is inserted in the cork volume of inhomogeneous phantom. Calculated dose and measured dose are acquired as above. In case of inhomogeneous phantom experiment, dose difference of calculated dose and measured dose is about -8.5% at solid water phantom-cork gap and about -7% lower in measured dose at cork-solid water phantom gap. In case of inhomogeneous phantom inserted paraffin target experiment, dose difference is about 5% lower in measured dose at cork-paraffin gap. There is no significant difference at same material gap in both experiments. Radiation dose at the gap between two organs with different electron density is significantly lower than calculated dose with TPS. Therefore, we must be aware of dose calculation error in TPS and great care is suggested in case of radiation treatment planning on inhomogeneous organ structure.

  7. Evaluation of planning dose accuracy in case of radiation treatment on inhomogeneous organ structure

    International Nuclear Information System (INIS)

    Kim, Chan Yong; Lee, Jae Hee; Kwak, Yong Kook; Ha, Min Yong

    2013-01-01

    We are to find out the difference of calculated dose of treatment planning system (TPS) and measured dose in case of inhomogeneous organ structure. Inhomogeneous phantom is made with solid water phantom and cork plate. CT image of inhomogeneous phantom is acquired. Treatment plan is made with TPS (Pinnacle3 9.2. Royal Philips Electronics, Netherlands) and calculated dose of point of interest is acquired. Treatment plan was delivered in the inhomogeneous phantom by ARTISTE (Siemens AG, Germany) measured dose of each point of interest is obtained with Gafchromic EBT2 film (International Specialty Products, US) in the gap between solid water phantom or cork plate. To simulate lung cancer radiation treatment, artificial tumor target of paraffin is inserted in the cork volume of inhomogeneous phantom. Calculated dose and measured dose are acquired as above. In case of inhomogeneous phantom experiment, dose difference of calculated dose and measured dose is about -8.5% at solid water phantom-cork gap and about -7% lower in measured dose at cork-solid water phantom gap. In case of inhomogeneous phantom inserted paraffin target experiment, dose difference is about 5% lower in measured dose at cork-paraffin gap. There is no significant difference at same material gap in both experiments. Radiation dose at the gap between two organs with different electron density is significantly lower than calculated dose with TPS. Therefore, we must be aware of dose calculation error in TPS and great care is suggested in case of radiation treatment planning on inhomogeneous organ structure

  8. Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.

    Science.gov (United States)

    Khairy, Y; Alvarez, F; Arbe, A; Colmenero, J

    2013-10-01

    The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factorization theorem and the time-temperature superposition principle are satisfied. A consistent fitting procedure of the simulation data to the MCT asymptotic power-laws predicted for the α-relaxation regime has delivered the dynamic exponents of the theory-in particular, the exponent parameter λ-the critical non-ergodicity parameters, and the critical temperature T(c). The obtained values of λ and T(c) agree, within the uncertainties involved in both studies, with those deduced from depolarized light scattering experiments [A. Kisliuk et al., J. Polym. Sci. Part B: Polym. Phys. 38, 2785 (2000)]. Both, λ and T(c)/T(g) values found for PIB are unusually large with respect to those commonly obtained in low molecular weight systems. Moreover, the high T(c)/T(g) value is compatible with a certain correlation of this parameter with the fragility in Angell's classification. Conversely, the value of λ is close to that reported for real polymers, simulated "realistic" polymers and simple polymer models with intramolecular barriers. In the framework of the MCT, such finding should be the signature of two different mechanisms for the glass-transition in real polymers: intermolecular packing and intramolecular barriers combined with chain connectivity.

  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. Protection motivation theory and social distancing behaviour in response to a simulated infectious disease epidemic.

    Science.gov (United States)

    Williams, Lynn; Rasmussen, Susan; Kleczkowski, Adam; Maharaj, Savi; Cairns, Nicole

    2015-01-01

    Epidemics of respiratory infectious disease remain one of the most serious health risks facing the population. Non-pharmaceutical interventions (e.g. hand-washing or wearing face masks) can have a significant impact on the course of an infectious disease epidemic. The current study investigated whether protection motivation theory (PMT) is a useful framework for understanding social distancing behaviour (i.e. the tendency to reduce social contacts) in response to a simulated infectious disease epidemic. There were 230 participants (109 males, 121 females, mean age 32.4 years) from the general population who completed self-report measures assessing the components of PMT. In addition, participants completed a computer game which simulated an infectious disease epidemic in order to provide a measure of social distancing behaviour. The regression analyses revealed that none of the PMT variables were significant predictors of social distancing behaviour during the simulation task. However, fear (β = .218, p < .001), response efficacy (β = .175, p < .01) and self-efficacy (β = .251, p < .001) were all significant predictors of intention to engage in social distancing behaviour. Overall, the PMT variables (and demographic factors) explain 21.2% of the variance in intention. The findings demonstrated that PMT was a useful framework for understanding intention to engage in social distancing behaviour, but not actual behaviour during the simulated epidemic. These findings may reflect an intention-behaviour gap in relation to social distancing behaviour.

  11. 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.

  12. Radiance intensity enhanced by thin inhomogeneous lossy films

    International Nuclear Information System (INIS)

    Ben-Abdallah, Philippe; Ni Bo

    2004-01-01

    Basically, the classical radiative transfer theory assumes that the coherent component of the radiation field is equal to zero and heuristic considerations about energy conservation are used in the phenomenological derivation of the RTE. Here a self-consistent theory is presented to investigate radiative transport in the presence of diffraction processes within thin inhomogeneous films. The problem of linear optics about the transport of scalar radiation within film is solved, a new definition of the radiance is introduced in agreement with earlier definitions and a corresponding radiative transfer equation is derived. The influence of spatial variations of the bulk properties on the propagating mode is described in detail. It is analytically predicted that, unlike homogeneous media, an inhomogeneous film can enhance the radiance intensity in spite of the diffraction and the local extinction. From a practical point of view, the results of this work should be useful to perform the optimal design for many thermoelectric devices such as the new generations of photovoltaiec cells

  13. Increasing the Number of Replications in Item Response Theory Simulations: Automation through SAS and Disk Operating System

    Science.gov (United States)

    Gagne, Phill; Furlow, Carolyn; Ross, Terris

    2009-01-01

    In item response theory (IRT) simulation research, it is often necessary to use one software package for data generation and a second software package to conduct the IRT analysis. Because this can substantially slow down the simulation process, it is sometimes offered as a justification for using very few replications. This article provides…

  14. Analysis of MUSIC-type imaging functional for single, thin electromagnetic inhomogeneity in limited-view inverse scattering problem

    Science.gov (United States)

    Ahn, Chi Young; Jeon, Kiwan; Park, Won-Kwang

    2015-06-01

    This study analyzes the well-known MUltiple SIgnal Classification (MUSIC) algorithm to identify unknown support of thin penetrable electromagnetic inhomogeneity from scattered field data collected within the so-called multi-static response matrix in limited-view inverse scattering problems. The mathematical theories of MUSIC are partially discovered, e.g., in the full-view problem, for an unknown target of dielectric contrast or a perfectly conducting crack with the Dirichlet boundary condition (Transverse Magnetic-TM polarization) and so on. Hence, we perform further research to analyze the MUSIC-type imaging functional and to certify some well-known but theoretically unexplained phenomena. For this purpose, we establish a relationship between the MUSIC imaging functional and an infinite series of Bessel functions of integer order of the first kind. This relationship is based on the rigorous asymptotic expansion formula in the existence of a thin inhomogeneity with a smooth supporting curve. Various results of numerical simulation are presented in order to support the identified structure of MUSIC. Although a priori information of the target is needed, we suggest a least condition of range of incident and observation directions to apply MUSIC in the limited-view problem.

  15. 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

  16. Laser dynamics in transversely inhomogeneous plasma and its relevance to wakefield acceleration

    Science.gov (United States)

    Pathak, V. B.; Vieira, J.; Silva, L. O.; Nam, Chang Hee

    2018-05-01

    We present full set of coupled equations describing the weakly relativistic dynamics of a laser in a plasma with transverse inhomogeneity. We apply variational principle approach to obtain these coupled equations governing laser spot-size, transverse wavenumber, curvature, transverse centroid, etc. We observe that such plasma inhomogeneity can lead to stronger self-focusing. We further discuss the guiding conditions of laser in parabolic plasma channels. With the help of multi-dimensional particle in cell simulations the study is extended to the blowout regime of laser wakefield acceleration to show laser as well as self-injected electron bunch steering in plasma to generate unconventional particle trajectories. Our simulation results demonstrate that such transverse inhomogeneities due to asymmetric self focusing lead to asymmetric bubble excitation, thus inducing off-axis self-injection.

  17. Photonic-Doppler-Velocimetry, Paraxial-Scalar Diffraction Theory and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Ambrose, W. P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-07-20

    In this report I describe current progress on a paraxial, scalar-field theory suitable for simulating what is measured in Photonic Doppler Velocimetry (PDV) experiments in three dimensions. I have introduced a number of approximations in this work in order to bring the total computation time for one experiment down to around 20 hours. My goals were: to develop an approximate method of calculating the peak frequency in a spectral sideband at an instant of time based on an optical diffraction theory for a moving target, to compare the ‘measured’ velocity to the ‘input’ velocity to gain insights into how and to what precision PDV measures the component of the mass velocity along the optical axis, and to investigate the effects of small amounts of roughness on the measured velocity. This report illustrates the progress I have made in describing how to perform such calculations with a full three dimensional picture including tilted target, tilted mass velocity (not necessarily in the same direction), and small amounts of surface roughness. With the method established for a calculation at one instant of time, measured velocities can be simulated for a sequence of times, similar to the process of sampling velocities in experiments. Improvements in these methods are certainly possible at hugely increased computational cost. I am hopeful that readers appreciate the insights possible at the current level of approximation.

  18. Modeling molecular mixing in a spatially inhomogeneous turbulent flow

    Science.gov (United States)

    Meyer, Daniel W.; Deb, Rajdeep

    2012-02-01

    Simulations of spatially inhomogeneous turbulent mixing in decaying grid turbulence with a joint velocity-concentration probability density function (PDF) method were conducted. The inert mixing scenario involves three streams with different compositions. The mixing model of Meyer ["A new particle interaction mixing model for turbulent dispersion and turbulent reactive flows," Phys. Fluids 22(3), 035103 (2010)], the interaction by exchange with the mean (IEM) model and its velocity-conditional variant, i.e., the IECM model, were applied. For reference, the direct numerical simulation data provided by Sawford and de Bruyn Kops ["Direct numerical simulation and lagrangian modeling of joint scalar statistics in ternary mixing," Phys. Fluids 20(9), 095106 (2008)] was used. It was found that velocity conditioning is essential to obtain accurate concentration PDF predictions. Moreover, the model of Meyer provides significantly better results compared to the IECM model at comparable computational expense.

  19. Compression behavior of cellular metals with inhomogeneous mass distribution

    International Nuclear Information System (INIS)

    Foroughi, B.

    2001-05-01

    Mechanical behavior of two types of closed cell metals (ALULIGHT and ALPORAS) is investigated experimentally and numerically. Compressive tests performed on prismatic specimens indicate that inhomogeneities in the mass density distribution are a key factor in the deformation behavior of cellular metals. The three dimensional cellular structure of the investigated specimens is recorded using x-ray medical computed tomography (CT). A special procedure called density mapping method has been used to transfer the recorded CT data into a continuum by averaging over a certain domain (averaging domain). This continuum model is implemented using finite elements to study the effect of variations in local mass densities. The finite element model is performed by a simple regular discretization of a specimen's volume with elements which have constant edge length. Mechanical properties derived from compression tests of ALPORAS samples are assigned to the corresponding mesoscopic density value of each element. The effect of averaging domain size is studied to obtain a suitable dimension which fulfils the homogenization requirements and allows the evaluation of inhomogenities in the specimens. The formation and propagation of deformation band(s) and stress-strain responses of tested cellular metals are modeled with respect to their mass distribution. It is shown that the inhomogeneous density distribution leads to plastic strain localization and causes a monotonically increase of the stress in the plateau regime although no hardening response was considered for homogeneous material in this regime. The simulated plastic strain localization and the calculated stress-strain responses are compared with the experimental results. The stiffness values of experiment and simulation agree very well for both cellular materials. The values of plateau strength as well, but it differs in some cases of ALULIGHT samples, where the hardening response can be predicted at least qualitatively

  20. Numerical simulations of stellar collapse in scalar-tensor theories of gravity

    International Nuclear Information System (INIS)

    Gerosa, Davide; Sperhake, Ulrich; Ott, Christian D

    2016-01-01

    We present numerical-relativity simulations of spherically symmetric core collapse and compact-object formation in scalar-tensor theories of gravity. The additional scalar degree of freedom introduces a propagating monopole gravitational-wave mode. Detection of monopole scalar waves with current and future gravitational-wave experiments may constitute smoking gun evidence for strong-field modifications of general relativity. We collapse both polytropic and more realistic pre-supernova profiles using a high-resolution shock-capturing scheme and an approximate prescription for the nuclear equation of state. The most promising sources of scalar radiation are protoneutron stars collapsing to black holes. In case of a galactic core collapse event forming a black hole, Advanced LIGO may be able to place independent constraints on the parameters of the theory at a level comparable to current solar-system and binary-pulsar measurements. In the region of the parameter space admitting spontaneously scalarised stars, transition to configurations with prominent scalar hair before black-hole formation further enhances the emitted signal. Although a more realistic treatment of the microphysics is necessary to fully investigate the occurrence of spontaneous scalarisation of neutron star remnants, we speculate that formation of such objects could constrain the parameters of the theory beyond the current bounds obtained with solar-system and binary-pulsar experiments. (paper)

  1. 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.

  2. Traveltime approximations for inhomogeneous HTI media

    KAUST Repository

    Alkhalifah, Tariq Ali

    2011-01-01

    Traveltimes information is convenient for parameter estimation especially if the medium is described by an anisotropic set of parameters. This is especially true if we could relate traveltimes analytically to these medium parameters, which is generally hard to do in inhomogeneous media. As a result, I develop traveltimes approximations for horizontaly transversely isotropic (HTI) media as simplified and even linear functions of the anisotropic parameters. This is accomplished by perturbing the solution of the HTI eikonal equation with respect to η and the azimuthal symmetry direction (usually used to describe the fracture direction) from a generally inhomogeneous elliptically anisotropic background medium. The resulting approximations can provide accurate analytical description of the traveltime in a homogenous background compared to other published moveout equations out there. These equations will allow us to readily extend the inhomogenous background elliptical anisotropic model to an HTI with a variable, but smoothly varying, η and horizontal symmetry direction values. © 2011 Society of Exploration Geophysicists.

  3. Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

    KAUST Repository

    Martínez-Veracoechea, Francisco J.

    2009-03-10

    A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD) and plumber\\'s nightmare phase (P) were spontaneously formed in the range of homopolymer volume fraction simulated via coarse-grained molecular dynamics. To the best of our knowledge, this is the first time that such phases have been obtained in continuum-space molecular simulations of DBC systems. Though tentative phase boundaries were delineated via free-energy calculations, macrophase separation could not be satisfactorily assessed within the framework of particle-based simulations. Therefore, SCFT was used to explore the DBC/homopolymer phase diagram in more detail, showing that although in many cases two-phase coexistence of a DBC-rich phase and a homopolymer-rich phase does precede the stability of complex bicontinuous phases the DD phase can be stable in a relatively wide region of the phase diagram. Whereas the P phase was always metastable with respect to macrophase separation under the thermodynamic conditions explored with SCFT, it was sometimes nearly stable, suggesting that full stability could be achieved in other unexplored regions of parameter space. Moreover, even the predicted DD- and P-phase metastability regions were located significantly far from the spinodal line, suggesting that these phases could be observed in experiments as "long-lived" metastable phases under those conditions. This conjecture is also consistent with large-system molecular dynamics simulations that showed that the time scale of mesophase formation is much faster than that of macrophase separation. © 2009 American Chemical Society.

  4. Inhomogeneous barrier height effect on the current–voltage characteristics of an Au/n-InP Schottky diode

    International Nuclear Information System (INIS)

    Zeghdar, Kamal; Dehimi, Lakhdar; Saadoune, Achour; Sengouga, Nouredine

    2015-01-01

    We report the current–voltage (I–V) characteristics of the Schottky diode (Au/n-InP) as a function of temperature. The SILVACO-TCAD numerical simulator is used to calculate the I–V characteristic in the temperature range of 280–400 K. This is to study the effect of temperature on the I–V curves and assess the main parameters that characterize the Schottky diode such as the ideality factor, the height of the barrier and the series resistance. The I–V characteristics are analyzed on the basis of standard thermionic emission (TE) theory and the inhomogeneous barrier heights (BHs) assuming a Gaussian distribution. It is shown that the ideality factor decreases while the barrier height increases with increasing temperature, on the basis of TE theory. Furthermore, the homogeneous BH value of approximately 0.524 eV for the device has been obtained from the linear relationship between the temperature-dependent experimentally effective BHs and ideality factors. The modified Richardson plot, according to the inhomogeneity of the BHs, has a good linearity over the temperature range. The evaluated Richardson constant A * was 10.32 A·cm −2 ·K −2 , which is close to the theoretical value of 9.4 A·cm −2 ·K −2 for n-InP. The temperature dependence of the I–V characteristics of the Au/n-InP Schottky diode have been successfully explained on the basis of the thermionic emission (TE) mechanism with a Gaussian distribution of the Schottky barrier heights (SBHs). Simulated I–V characteristics are in good agreement with the measurements [Korucu D, Mammadov T S. J Optoelectronics Advanced Materials, 2012, 14: 41]. The barrier height obtained using Gaussian Schottky barrier distribution is 0.52 eV, which is about half the band gap of InP. (paper)

  5. Inhomogeneous barrier height effect on the current-voltage characteristics of an Au/n-InP Schottky diode

    Science.gov (United States)

    Zeghdar, Kamal; Dehimi, Lakhdar; Saadoune, Achour; Sengouga, Nouredine

    2015-12-01

    We report the current-voltage (I-V) characteristics of the Schottky diode (Au/n-InP) as a function of temperature. The SILVACO-TCAD numerical simulator is used to calculate the I-V characteristic in the temperature range of 280-400 K. This is to study the effect of temperature on the I-V curves and assess the main parameters that characterize the Schottky diode such as the ideality factor, the height of the barrier and the series resistance. The I-V characteristics are analyzed on the basis of standard thermionic emission (TE) theory and the inhomogeneous barrier heights (BHs) assuming a Gaussian distribution. It is shown that the ideality factor decreases while the barrier height increases with increasing temperature, on the basis of TE theory. Furthermore, the homogeneous BH value of approximately 0.524 eV for the device has been obtained from the linear relationship between the temperature-dependent experimentally effective BHs and ideality factors. The modified Richardson plot, according to the inhomogeneity of the BHs, has a good linearity over the temperature range. The evaluated Richardson constant A* was 10.32 A·cm-2·K-2, which is close to the theoretical value of 9.4 A·cm-2·K-2 for n-InP. The temperature dependence of the I-V characteristics of the Au/n-InP Schottky diode have been successfully explained on the basis of the thermionic emission (TE) mechanism with a Gaussian distribution of the Schottky barrier heights (SBHs). Simulated I-V characteristics are in good agreement with the measurements [Korucu D, Mammadov T S. J Optoelectronics Advanced Materials, 2012, 14: 41]. The barrier height obtained using Gaussian Schottky barrier distribution is 0.52 eV, which is about half the band gap of InP.

  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. Inhomogeneous Markov Models for Describing Driving Patterns

    DEFF Research Database (Denmark)

    Iversen, Emil Banning; Møller, Jan K.; Morales, Juan Miguel

    2017-01-01

    . Specifically, an inhomogeneous Markov model that captures the diurnal variation in the use of a vehicle is presented. The model is defined by the time-varying probabilities of starting and ending a trip, and is justified due to the uncertainty associated with the use of the vehicle. The model is fitted to data...... collected from the actual utilization of a vehicle. Inhomogeneous Markov models imply a large number of parameters. The number of parameters in the proposed model is reduced using B-splines....

  8. Inhomogeneous Markov Models for Describing Driving Patterns

    DEFF Research Database (Denmark)

    Iversen, Jan Emil Banning; Møller, Jan Kloppenborg; Morales González, Juan Miguel

    . Specically, an inhomogeneous Markov model that captures the diurnal variation in the use of a vehicle is presented. The model is dened by the time-varying probabilities of starting and ending a trip and is justied due to the uncertainty associated with the use of the vehicle. The model is tted to data...... collected from the actual utilization of a vehicle. Inhomogeneous Markov models imply a large number of parameters. The number of parameters in the proposed model is reduced using B-splines....

  9. Using queuing theory and simulation model to optimize hospital pharmacy performance.

    Science.gov (United States)

    Bahadori, Mohammadkarim; Mohammadnejhad, Seyed Mohsen; Ravangard, Ramin; Teymourzadeh, Ehsan

    2014-03-01

    Hospital pharmacy is responsible for controlling and monitoring the medication use process and ensures the timely access to safe, effective and economical use of drugs and medicines for patients and hospital staff. This study aimed to optimize the management of studied outpatient pharmacy by developing suitable queuing theory and simulation technique. A descriptive-analytical study conducted in a military hospital in Iran, Tehran in 2013. A sample of 220 patients referred to the outpatient pharmacy of the hospital in two shifts, morning and evening, was selected to collect the necessary data to determine the arrival rate, service rate, and other data needed to calculate the patients flow and queuing network performance variables. After the initial analysis of collected data using the software SPSS 18, the pharmacy queuing network performance indicators were calculated for both shifts. Then, based on collected data and to provide appropriate solutions, the queuing system of current situation for both shifts was modeled and simulated using the software ARENA 12 and 4 scenarios were explored. Results showed that the queue characteristics of the studied pharmacy during the situation analysis were very undesirable in both morning and evening shifts. The average numbers of patients in the pharmacy were 19.21 and 14.66 in the morning and evening, respectively. The average times spent in the system by clients were 39 minutes in the morning and 35 minutes in the evening. The system utilization in the morning and evening were, respectively, 25% and 21%. The simulation results showed that reducing the staff in the morning from 2 to 1 in the receiving prescriptions stage didn't change the queue performance indicators. Increasing one staff in filling prescription drugs could cause a decrease of 10 persons in the average queue length and 18 minutes and 14 seconds in the average waiting time. On the other hand, simulation results showed that in the evening, decreasing the staff

  10. Using Queuing Theory and Simulation Model to Optimize Hospital Pharmacy Performance

    Science.gov (United States)

    Bahadori, Mohammadkarim; Mohammadnejhad, Seyed Mohsen; Ravangard, Ramin; Teymourzadeh, Ehsan

    2014-01-01

    Background: Hospital pharmacy is responsible for controlling and monitoring the medication use process and ensures the timely access to safe, effective and economical use of drugs and medicines for patients and hospital staff. Objectives: This study aimed to optimize the management of studied outpatient pharmacy by developing suitable queuing theory and simulation technique. Patients and Methods: A descriptive-analytical study conducted in a military hospital in Iran, Tehran in 2013. A sample of 220 patients referred to the outpatient pharmacy of the hospital in two shifts, morning and evening, was selected to collect the necessary data to determine the arrival rate, service rate, and other data needed to calculate the patients flow and queuing network performance variables. After the initial analysis of collected data using the software SPSS 18, the pharmacy queuing network performance indicators were calculated for both shifts. Then, based on collected data and to provide appropriate solutions, the queuing system of current situation for both shifts was modeled and simulated using the software ARENA 12 and 4 scenarios were explored. Results: Results showed that the queue characteristics of the studied pharmacy during the situation analysis were very undesirable in both morning and evening shifts. The average numbers of patients in the pharmacy were 19.21 and 14.66 in the morning and evening, respectively. The average times spent in the system by clients were 39 minutes in the morning and 35 minutes in the evening. The system utilization in the morning and evening were, respectively, 25% and 21%. The simulation results showed that reducing the staff in the morning from 2 to 1 in the receiving prescriptions stage didn't change the queue performance indicators. Increasing one staff in filling prescription drugs could cause a decrease of 10 persons in the average queue length and 18 minutes and 14 seconds in the average waiting time. On the other hand, simulation

  11. Fluids density functional theory and initializing molecular dynamics simulations of block copolymers

    Science.gov (United States)

    Brown, Jonathan R.; Seo, Youngmi; Maula, Tiara Ann D.; Hall, Lisa M.

    2016-03-01

    Classical, fluids density functional theory (fDFT), which can predict the equilibrium density profiles of polymeric systems, and coarse-grained molecular dynamics (MD) simulations, which are often used to show both structure and dynamics of soft materials, can be implemented using very similar bead-based polymer models. We aim to use fDFT and MD in tandem to examine the same system from these two points of view and take advantage of the different features of each methodology. Additionally, the density profiles resulting from fDFT calculations can be used to initialize the MD simulations in a close to equilibrated structure, speeding up the simulations. Here, we show how this method can be applied to study microphase separated states of both typical diblock and tapered diblock copolymers in which there is a region with a gradient in composition placed between the pure blocks. Both methods, applied at constant pressure, predict a decrease in total density as segregation strength or the length of the tapered region is increased. The predictions for the density profiles from fDFT and MD are similar across materials with a wide range of interfacial widths.

  12. SAFSIM theory manual: A computer program for the engineering simulation of flow systems

    Energy Technology Data Exchange (ETDEWEB)

    Dobranich, D.

    1993-12-01

    SAFSIM (System Analysis Flow SIMulator) is a FORTRAN computer program for simulating the integrated performance of complex flow systems. SAFSIM provides sufficient versatility to allow the engineering simulation of almost any system, from a backyard sprinkler system to a clustered nuclear reactor propulsion system. In addition to versatility, speed and robustness are primary SAFSIM development goals. SAFSIM contains three basic physics modules: (1) a fluid mechanics module with flow network capability; (2) a structure heat transfer module with multiple convection and radiation exchange surface capability; and (3) a point reactor dynamics module with reactivity feedback and decay heat capability. Any or all of the physics modules can be implemented, as the problem dictates. SAFSIM can be used for compressible and incompressible, single-phase, multicomponent flow systems. Both the fluid mechanics and structure heat transfer modules employ a one-dimensional finite element modeling approach. This document contains a description of the theory incorporated in SAFSIM, including the governing equations, the numerical methods, and the overall system solution strategies.

  13. Introducing simulation-based education to healthcare professionals: exploring the challenge of integrating theory into educational practice.

    Science.gov (United States)

    Katoue, Maram G; Iblagh, Nadia; Somerville, Susan; Ker, Jean

    2015-11-01

    Introducing simulation-based education to the curricular programme of healthcare professionals can be challenging. This study explored the early experiences of healthcare professionals in the use of simulation. This was in the context of the Kuwait-Scotland transformational health innovation network programme. Two cohorts of healthcare professionals undertook a simulation module as part of faculty development programme in Kuwait. Participants' initial perceptions of simulators were gathered using a structured questionnaire in the clinical skills centre. Their subsequent ability to demonstrate the application of simulation was evaluated through analyses of the video-recordings of teaching sessions they undertook and written reflections of their experiences of using simulation. In theory, participants were able to identify simulators' classification and fidelity. They also recognised some of the challenges of using simulators. In their teaching sessions, most participants focused on using part-task trainers to teach procedural skills. In their written reflections, they did not articulate a justification for their choice of simulator or its limitations. This study demonstrated a theory-to-practice gap in the early use of simulation by healthcare educators. The findings highlight the need for deliberate practice and adequate mentorship for educators to develop confidence and competence in the use of simulation as part of their educational practice. © The Author(s) 2015.

  14. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Po Jen; Lai, S. K., E-mail: sklai@coll.phy.ncu.edu.tw [Complex Liquids Laboratory, Department of Physics, National Central University, Chungli 320, Taiwan and Molecular Science and Technology Program, Taiwan International Graduate Program, Academia Sinica, Taipei 115, Taiwan (China); Rapallo, Arnaldo [Istituto per lo Studio delle Macromolecole (ISMAC) Consiglio Nazionale delle Ricerche (CNR), via E. Bassini 15, C.A.P 20133 Milano (Italy)

    2014-03-14

    solvent, we performed in this work the classical molecular dynamics simulation on a realistic model solution with the peptide embedded in an explicit water environment, and calculated its dynamic properties both as an outcome of the simulations, and by the diffusion theory in reduced statistical-mechanical approach within HBA on the premise that the mode-coupling approach to the diffusion theory can give both the long-range and local dynamics starting from equilibrium averages which were obtained from detailed atomistic simulations.

  15. Peptide dynamics by molecular dynamics simulation and diffusion theory method with improved basis sets

    International Nuclear Information System (INIS)

    Hsu, Po Jen; Lai, S. K.; Rapallo, Arnaldo

    2014-01-01

    solvent, we performed in this work the classical molecular dynamics simulation on a realistic model solution with the peptide embedded in an explicit water environment, and calculated its dynamic properties both as an outcome of the simulations, and by the diffusion theory in reduced statistical-mechanical approach within HBA on the premise that the mode-coupling approach to the diffusion theory can give both the long-range and local dynamics starting from equilibrium averages which were obtained from detailed atomistic simulations

  16. Numerical simulations of N=(1,1) 1+1-dimensional super Yang-Mills theory with large supersymmetry breaking

    International Nuclear Information System (INIS)

    Filippov, I.; Pinsky, S.

    2002-01-01

    We consider the N=(1,1) super Yang-Mills (SYM) theory that is obtained by dimensionally reducing SYM theory in 2+1 dimensions to 1+1 dimensions and discuss soft supersymmetry breaking. We discuss the numerical simulation of this theory using supersymmetric discrete light-cone quantization when either the boson or the fermion has a large mass. We compare our result to the pure adjoint fermion theory and pure adjoint boson discrete light-cone quantization calculations of Klebanov, Demeterfi, Bhanot and Kutasov. With a large boson mass we find that it is necessary to add additional operators to the theory to obtain sensible results. When a large fermion mass is added to the theory we find that it is not necessary to add operators to obtain a sensible theory. The theory of the adjoint boson is a theory that has stringy bound states similar to the full SYM theory. We also discuss another theory of adjoint bosons with a spectrum similar to that obtained by Klebanov, Demeterfi, and Bhanot

  17. Estimation of geometrically undistorted B0 inhomogeneity maps

    International Nuclear Information System (INIS)

    Matakos, A; Balter, J; Cao, Y

    2014-01-01

    Geometric accuracy of MRI is one of the main concerns for its use as a sole image modality in precision radiation therapy (RT) planning. In a state-of-the-art scanner, system level geometric distortions are within acceptable levels for precision RT. However, subject-induced B 0 inhomogeneity may vary substantially, especially in air-tissue interfaces. Recent studies have shown distortion levels of more than 2 mm near the sinus and ear canal are possible due to subject-induced field inhomogeneity. These distortions can be corrected with the use of accurate B 0 inhomogeneity field maps. Most existing methods estimate these field maps from dual gradient-echo (GRE) images acquired at two different echo-times under the assumption that the GRE images are practically undistorted. However distortion that may exist in the GRE images can result in estimated field maps that are distorted in both geometry and intensity, leading to inaccurate correction of clinical images. This work proposes a method for estimating undistorted field maps from GRE acquisitions using an iterative joint estimation technique. The proposed method yields geometrically corrected GRE images and undistorted field maps that can also be used for the correction of images acquired by other sequences. The proposed method is validated through simulation, phantom experiments and applied to patient data. Our simulation results show that our method reduces the root-mean-squared error of the estimated field map from the ground truth by ten-fold compared to the distorted field map. Both the geometric distortion and the intensity corruption (artifact) in the images caused by the B 0 field inhomogeneity are corrected almost completely. Our phantom experiment showed improvement in the geometric correction of approximately 1 mm at an air-water interface using the undistorted field map compared to using a distorted field map. The proposed method for undistorted field map estimation can lead to improved geometric

  18. Estimation of geometrically undistorted B0 inhomogeneity maps

    Science.gov (United States)

    Matakos, A.; Balter, J.; Cao, Y.

    2014-09-01

    Geometric accuracy of MRI is one of the main concerns for its use as a sole image modality in precision radiation therapy (RT) planning. In a state-of-the-art scanner, system level geometric distortions are within acceptable levels for precision RT. However, subject-induced B0 inhomogeneity may vary substantially, especially in air-tissue interfaces. Recent studies have shown distortion levels of more than 2 mm near the sinus and ear canal are possible due to subject-induced field inhomogeneity. These distortions can be corrected with the use of accurate B0 inhomogeneity field maps. Most existing methods estimate these field maps from dual gradient-echo (GRE) images acquired at two different echo-times under the assumption that the GRE images are practically undistorted. However distortion that may exist in the GRE images can result in estimated field maps that are distorted in both geometry and intensity, leading to inaccurate correction of clinical images. This work proposes a method for estimating undistorted field maps from GRE acquisitions using an iterative joint estimation technique. The proposed method yields geometrically corrected GRE images and undistorted field maps that can also be used for the correction of images acquired by other sequences. The proposed method is validated through simulation, phantom experiments and applied to patient data. Our simulation results show that our method reduces the root-mean-squared error of the estimated field map from the ground truth by ten-fold compared to the distorted field map. Both the geometric distortion and the intensity corruption (artifact) in the images caused by the B0 field inhomogeneity are corrected almost completely. Our phantom experiment showed improvement in the geometric correction of approximately 1 mm at an air-water interface using the undistorted field map compared to using a distorted field map. The proposed method for undistorted field map estimation can lead to improved geometric

  19. 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

  20. Inhomogeneous Relaxation of a Molecular Layer on an Insulator due to Compressive Stress

    Science.gov (United States)

    Bocquet, F.; Nony, L.; Mannsfeld, S. C. B.; Oison, V.; Pawlak, R.; Porte, L.; Loppacher, Ch.

    2012-05-01

    We discuss the inhomogeneous stress relaxation of a monolayer of hexahydroxytriphenylene (HHTP) which adopts the rare line-on-line (LOL) coincidence on KCl(001) and forms moiré patterns. The fact that the hexagonal HHTP layer is uniaxially compressed along the LOL makes this system an ideal candidate to discuss the influence of inhomogeneous stress relaxation. Our work is a combination of noncontact atomic force microscopy experiments, density functional theory and potential energy calculations, and a thorough interpretation by means of the Frenkel-Kontorova model. We show that the assumption of a homogeneous molecular layer is not valid for this organic-inorganic heteroepitaxial system since the best calculated energy configuration correlates with the experimental data only if inhomogeneous relaxations of the layer are taken into account.

  1. FY2014 FES (Fusion Energy Sciences) Theory & Simulation Performance Target, Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Guoyong [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Budny, Robert [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gorelenkov, Nikolai [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Poli, Francesca [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Chen, Yang [Univ. of Colorado, Boulder, CO (United States); McClenaghan, Joseph [Univ. of California, Irvine, CA (United States); Lin, Zhihong [Univ. of California, Irvine, CA (United States); Spong, Don [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Bass, Eric [Univ. of California, San Diego, CA (United States); Waltz, Ron [General Atomics, San Diego, CA (United States)

    2014-10-14

    We report here the work done for the FY14 OFES Theory Performance Target as given below: "Understanding alpha particle confinement in ITER, the world's first burning plasma experiment, is a key priority for the fusion program. In FY 2014, determine linear instability trends and thresholds of energetic particle-driven shear Alfven eigenmodes in ITER for a range of parameters and profiles using a set of complementary simulation models (gyrokinetic, hybrid, and gyrofluid). Carry out initial nonlinear simulations to assess the effects of the unstable modes on energetic particle transport". In the past year (FY14), a systematic study of the alpha-driven Alfven modes in ITER has been carried out jointly by researchers from six institutions involving seven codes including the transport simulation code TRANSP (R. Budny and F. Poli, PPPL), three gyrokinetic codes: GEM (Y. Chen, Univ. of Colorado), GTC (J. McClenaghan, Z. Lin, UCI), and GYRO (E. Bass, R. Waltz, UCSD/GA), the hybrid code M3D-K (G.Y. Fu, PPPL), the gyro-fluid code TAEFL (D. Spong, ORNL), and the linear kinetic stability code NOVA-K (N. Gorelenkov, PPPL). A range of ITER parameters and profiles are specified by TRANSP simulation of a hybrid scenario case and a steady-state scenario case. Based on the specified ITER equilibria linear stability calculations are done to determine the stability boundary of alpha-driven high-n TAEs using the five initial value codes (GEM, GTC, GYRO, M3D-K, and TAEFL) and the kinetic stability code (NOVA-K). Both the effects of alpha particles and beam ions have been considered. Finally, the effects of the unstable modes on energetic particle transport have been explored using GEM and M3D-K.

  2. 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.

  3. Quantum crystal growing: adiabatic preparation of a bosonic antiferromagnet in the presence of a parabolic inhomogeneity

    DEFF Research Database (Denmark)

    Gammelmark, Søren; Eckardt, André

    2013-01-01

    felt by the two species. Using numerical simulations we predict that a finite parabolic potential can assist the adiabatic preparation of the antiferromagnet. The optimal strength of the parabolic inhomogeneity depends sensitively on the number imbalance between the two species. We also find...

  4. Effective permittivity of finite inhomogeneous objects

    NARCIS (Netherlands)

    Raghunathan, S.B.; Budko, N.V.

    2010-01-01

    A generalization of the S-parameter retrieval method for finite three-dimensional inhomogeneous objects under arbitrary illumination and observation conditions is presented. The effective permittivity of such objects may be rigorously defined as a solution of a nonlinear inverse scattering problem.

  5. No hair theorem for inhomogeneous cosmologies

    International Nuclear Information System (INIS)

    Jensen, L.G.; Stein-Schabes, J.A.

    1986-03-01

    We show that under very general conditions any inhomogeneous cosmological model with a positive cosmological constant, that can be described in a synchronous reference system will tend asymptotically in time towards the de Sitter solution. This is shown to be relevant in the context of inflationary models as it makes inflation very weakly dependent on initial conditions. 8 refs

  6. Critical behavior in inhomogeneous random graphs

    NARCIS (Netherlands)

    Hofstad, van der R.W.

    2013-01-01

    We study the critical behavior of inhomogeneous random graphs in the so-called rank-1 case, where edges are present independently but with unequal edge occupation probabilities. The edge occupation probabilities are moderated by vertex weights, and are such that the degree of vertex i is close in

  7. Critical behavior in inhomogeneous random graphs

    NARCIS (Netherlands)

    Hofstad, van der R.W.

    2009-01-01

    We study the critical behavior of inhomogeneous random graphs where edges are present independently but with unequal edge occupation probabilities. We show that the critical behavior depends sensitively on the properties of the asymptotic degrees. Indeed, when the proportion of vertices with degree

  8. Electron Beam interaction with an inhomogeneous

    Energy Technology Data Exchange (ETDEWEB)

    Zaki, N G; El-Shorbagy, Kh H [Plasma physics and Nuclear Fusion Dept. Nuclear Research Centre Atomic Energy Authority, Cairo, (Egypt)

    1997-12-31

    The linear and nonlinear interaction of an electron beam with an inhomogeneous semi bounded warm plasma is investigated. The amount of energy absorbed by the plasma is obtained. The formation of waves at double frequency at the inlet of the beam into the plasma is also considered.

  9. MICROWAVE INTERACTIONS WITH INHOMOGENEOUS PARTIALLY IONIZED PLASMA

    Energy Technology Data Exchange (ETDEWEB)

    Kritz, A. H.

    1962-11-15

    Microwave interactions with inhomogeneous plasmas are often studied by employing a simplified electromagnetic approach, i.e., by representing the effects of the plasma by an effective dielectric coefficient. The problems and approximations associated with this procedure are discussed. The equation describing the microwave field in an inhomogeneous partially ionized plasma is derived, and the method that is applied to obtain the reflected, transmitted, and absorbed intensities in inhomogeneous plasmas is presented. The interactions of microwaves with plasmas having Gaussian electron density profiles are considered. The variation of collision frequency with position is usually neglected. In general, the assumption of constant collision frequency is not justified; e.g., for a highly ionized plasma, the electron density profile determines, in part, the profile of the electron-ion collision frequency. The effect of the variation of the collision frequency profile on the interaction of microwaves with inhomogeneous plasmas is studied in order to obtain an estimate of the degree of error that may result when constant collision frequency is assumed instead of a more realistic collision frequency profile. It is shown that the degree of error is of particular importance when microwave analysis is used as a plasma diagnostic. (auth)

  10. Optical inhomogeneity developing in flashlamp photolysis lasers

    Energy Technology Data Exchange (ETDEWEB)

    Alekhin, B V; Borovkov, V V; Brodskii, A Ya; Lazhintsev, B V; Nor-Arevian, V A; Sukhanov, L V

    1980-07-01

    The paper discusses the dynamics of optical inhomogenity developing in the active medium of a high-power flashlamp-pumped photolysis laser in inverse population storage, fast inversion suppression, and free-running lasing regimes. A chemical component of the refractive index was found in a C3F7I photolysis experiment, along with the anomalous growth of a gas refractive index.

  11. Propagation of acoustic waves in a one-dimensional macroscopically inhomogeneous poroelastic material.

    Science.gov (United States)

    Gautier, G; Kelders, L; Groby, J P; Dazel, O; De Ryck, L; Leclaire, P

    2011-09-01

    Wave propagation in macroscopically inhomogeneous porous materials has received much attention in recent years. The wave equation, derived from the alternative formulation of Biot's theory of 1962, was reduced and solved recently in the case of rigid frame inhomogeneous porous materials. This paper focuses on the solution of the full wave equation in which the acoustic and the elastic properties of the poroelastic material vary in one-dimension. The reflection coefficient of a one-dimensional macroscopically inhomogeneous porous material on a rigid backing is obtained numerically using the state vector (or the so-called Stroh) formalism and Peano series. This coefficient can then be used to straightforwardly calculate the scattered field. To validate the method of resolution, results obtained by the present method are compared to those calculated by the classical transfer matrix method at both normal and oblique incidence and to experimental measurements at normal incidence for a known two-layers porous material, considered as a single inhomogeneous layer. Finally, discussion about the absorption coefficient for various inhomogeneity profiles gives further perspectives. © 2011 Acoustical Society of America

  12. Critical-temperature inhomogeneities and resistivity rounding in copper oxide superconductors

    International Nuclear Information System (INIS)

    Maza, J.; Vidal, F.

    1991-01-01

    By using effective-medium approaches, we obtain the onset of the electrical-resistivity rounding, above the normal-superconducting transition, associated with inhomogeneities of the mean-field critical temperature T c0 at scales larger than the superconducting correlation length. These results are compared with available data in single-crystal and single-phase (to within 4%) polycrystalline YBa 2 Cu 3 O 7-δ samples. This comparison shows that the measured resistivity rounding cannot be explained by these types of local T c0 inhomogeneities. Complementarily, our calculations allow us to check some proposals on T c0 inhomogeneities associated with local sample strains or oxygen-content variations. The interplay between T c0 inhomogeneities and superconducting order-parameter fluctuations (SCOPF) leads to the conclusion that in the mean-field-like region (MFR) above the superconducting transition, the T c0 inhomogeneity contribution to the measured resistivity rounding in high-quality (single-phase) cuprate oxide superconductors is negligible. In contrast, our analysis confirms that in the MFR these effects may be explained quantitatively on the grounds of the Lawrence-Doniach theory for SCOPF

  13. Threshold defect production in silicon determined by density functional theory molecular dynamics simulations

    International Nuclear Information System (INIS)

    Holmstroem, E.; Kuronen, A.; Nordlund, K.

    2008-01-01

    We studied threshold displacement energies for creating stable Frenkel pairs in silicon using density functional theory molecular dynamics simulations. The average threshold energy over all lattice directions was found to be 36±2 STAT ±2 SYST eV, and thresholds in the directions and were found to be 20±2 SYST eV and 12.5±1.5 SYST eV, respectively. Moreover, we found that in most studied lattice directions, a bond defect complex is formed with a lower threshold than a Frenkel pair. The average threshold energy for producing either a bond defect or a Frenkel pair was found to be 24±1 STAT ±2 SYST eV

  14. Simulation and Hardware Implementation of Shunt Active Power Filter Based on Synchronous Reference Frame Theory

    Directory of Open Access Journals (Sweden)

    Karthikrjan Senthilnathan

    2018-02-01

    Full Text Available This paper describes about the Hybrid Shunt Active Power Filter (HSAPF for the elimination of the current harmonics in the line side of the three phase three wire systems. The Active Power Filter is based on the Voltage Source Converter (VSC topology. The control strategy for the converter is based on Synchronous Reference Frame (SRF theory. The compensation of harmonics is done by the APF which is connected in the shunt configuration to the system. The Shunt APF has the better compensation of current harmonics. The design and implementation of Shunt active power filter is done by MATLAB/Simulink. The real time implementation by using the ATMEGA 8 Microcontroller. The Simulation and Hardware results shows that the current harmonics are eliminated in the system

  15. Computer simulation and high level virial theory of Saturn-ring or UFO colloids

    Science.gov (United States)

    Bates, Martin A.; Dennison, Matthew; Masters, Andrew

    2008-08-01

    Monte Carlo simulations are used to map out the complete phase diagram of hard body UFO systems, in which the particles are composed of a concentric sphere and thin disk. The equation of state and phase behavior are determined for a range of relative sizes of the sphere and disk. We show that for relatively large disks, nematic and solid phases are observed in addition to the isotropic fluid. For small disks, two different solid phases exist. For intermediate sizes, only a disordered fluid phase is observed. The positional and orientational structure of the various phases are examined. We also compare the equations of state and the nematic-isotropic coexistence densities with those predicted by an extended Onsager theory using virial coefficients up to B8.

  16. Simultaneous positioning and orientation of a single nano-object by flow control: theory and simulations

    International Nuclear Information System (INIS)

    Mathai, Pramod P; Berglund, Andrew J; Alexander Liddle, J; Shapiro, Benjamin A

    2011-01-01

    In this paper, we theoretically describe a method to simultaneously control both the position and orientation of single nano-objects in fluids by precisely controlling the flow around them. We develop and simulate a control law that uses electro-osmotic flow (EOF) actuation to translate and rotate rigid nano-objects in two spatial dimensions. Using EOF to control nano-objects offers advantages as compared to other approaches: a wide class of objects can be manipulated (no magnetic or electric dipole moments are needed), the object can be controlled over a long range (>100 μm) with sub-micrometer accuracy, and control may be achieved with simple polydimethylsiloxane (PDMS) devices. We demonstrate the theory and numerical solutions that will enable deterministic control of the position and orientation of a nano-object in solution, which can be used, for example, to integrate nanostructures in circuits and orient sensors to probe living cells.

  17. Research on ion implantation in MEMS device fabrication by theory, simulation and experiments

    Science.gov (United States)

    Bai, Minyu; Zhao, Yulong; Jiao, Binbin; Zhu, Lingjian; Zhang, Guodong; Wang, Lei

    2018-06-01

    Ion implantation is widely utilized in microelectromechanical systems (MEMS), applied for embedded lead, resistors, conductivity modifications and so forth. In order to achieve an expected device, the principle of ion implantation must be carefully examined. The elementary theory of ion implantation including implantation mechanism, projectile range and implantation-caused damage in the target were studied, which can be regarded as the guidance of ion implantation in MEMS device design and fabrication. Critical factors including implantations dose, energy and annealing conditions are examined by simulations and experiments. The implantation dose mainly determines the dopant concentration in the target substrate. The implantation energy is the key factor of the depth of the dopant elements. The annealing time mainly affects the repair degree of lattice damage and thus the activated elements’ ratio. These factors all together contribute to ions’ behavior in the substrates and characters of the devices. The results can be referred to in the MEMS design, especially piezoresistive devices.

  18. 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.

  19. Complexation of Polyelectrolytes with Hydrophobic Drug Molecules in Salt-Free Solution: Theory and Simulations.

    Science.gov (United States)

    Lei, Qun-Li; Hadinoto, Kunn; Ni, Ran

    2017-04-18

    The delivery and dissolution of poorly soluble drugs is challenging in the pharmaceutical industry. One way to significantly improve the delivery efficiency is to incorporate these hydrophobic small molecules into a colloidal polyelectrolyes(PE)-drug complex in their ionized states. Despite its huge application value, the general mechanism of PE collapse and complex formation in this system has not been well understood. In this work, by combining a mean-field theory with extensive molecular simulations, we unveil the phase behaviors of the system under dilute and salt-free conditions. We find that the complexation is a first-order-like phase transition triggered by the hydrophobic attraction between the drug molecules. Importantly, the valence ratio between the drug molecule and PE monomer plays a crucial role in determining the stability and morphology of the complex. Moreover, the sign of the zeta potential and the net charge of the complex are found to be inverted as the hydrophobicity of the drug molecules increases. Both theory and simulation indicate that the complexation point and complex morphology and the electrostatic properties of the complex have a weak dependence on chain length. Finally, the dynamics aspect of PE-drug complexation is also explored, and it is found that the complex can be trapped into a nonequilibrium glasslike state when the hydropobicity of the drug molecule is too strong. Our work gives a clear physical picture behind the PE-drug complexation phenomenon and provides guidelines to fabricate the colloidal PE-drug complex with the desired physical characteristics.

  20. Using Sandia's Z Machine and Density Functional Theory Simulations to Understand Planetary Materials

    Science.gov (United States)

    Root, Seth

    2017-06-01

    The use of Z, NIF, and Omega have produced many breakthrough results in high pressure physics. One area that has greatly benefited from these facilities is the planetary sciences. The high pressure behavior of planetary materials has implications for numerous geophysical and planetary processes. The continuing discovery of exosolar super-Earths demonstrates the need for accurate equation of state data to better inform our models of their interior structures. Planetary collision processes, such as the moon-forming giant impact, require understanding planetary materials over a wide-range of pressures and temperatures. Using Z, we examined the shock compression response of some common planetary materials: MgO, Mg2SiO4, and Fe2O3 (hematite). We compare the experimental shock compression measurements with density functional theory (DFT) based quantum molecular dynamics (QMD) simulations. The combination of experiment and theory provides clearer understanding of planetary materials properties at extreme conditions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  1. Formation factor in Bentheimer and Fontainebleau sandstones: Theory compared with pore-scale numerical simulations

    Science.gov (United States)

    Ghanbarian, Behzad; Berg, Carl F.

    2017-09-01

    Accurate quantification of formation resistivity factor F (also called formation factor) provides useful insight into connectivity and pore space topology in fully saturated porous media. In particular the formation factor has been extensively used to estimate permeability in reservoir rocks. One of the widely applied models to estimate F is Archie's law (F = ϕ- m in which ϕ is total porosity and m is cementation exponent) that is known to be valid in rocks with negligible clay content, such as clean sandstones. In this study we compare formation factors determined by percolation and effective-medium theories as well as Archie's law with numerical simulations of electrical resistivity on digital rock models. These digital models represent Bentheimer and Fontainebleau sandstones and are derived either by reconstruction or directly from micro-tomographic images. Results show that the universal quadratic power law from percolation theory accurately estimates the calculated formation factor values in network models over the entire range of porosity. However, it crosses over to the linear scaling from the effective-medium approximation at the porosity of 0.75 in grid models. We also show that the effect of critical porosity, disregarded in Archie's law, is nontrivial, and the Archie model inaccurately estimates the formation factor in low-porosity homogeneous sandstones.

  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. Simulation in paediatric urology and surgery. Part 1: An overview of educational theory.

    Science.gov (United States)

    Nataraja, Ramesh M; Webb, Nathalie; Lopez, Pedro-Jose

    2018-03-01

    Surgical training has changed radically in the last few decades. The traditional Halstedian model of time-bound apprenticeship has been replaced with competency-based training. Advanced understanding of mastery learning principles has vastly altered educational methodology in surgical training, in terms of instructional design, delivery of educational content, assessment of learning, and programmatic evaluation. As part of this educational revolution, fundamentals of simulation-based education have been adopted into all levels and aspects of surgical training, requiring an understanding of concepts of fidelity and realism and the impact they have on learning. There are many educational principles and theories that can help clinical teachers understand the way that their trainees learn. In the acquisition of surgical expertise, concepts of mastery learning, deliberate practice, and experiential learning are particularly important. Furthermore, surgical teachers need to understand the principles of effective feedback, which is essential to all forms of skills learning. This article, the first of two papers, presents an overview of relevant learning theory for the busy paediatric surgeon and urologist. Seeking to introduce the concepts underpinning current changes in surgical education and training, providing practical tips to optimise teaching endeavours. Copyright © 2018 Journal of Pediatric Urology Company. Published by Elsevier Ltd. All rights reserved.

  4. Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory

    International Nuclear Information System (INIS)

    Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M

    2016-01-01

    Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree with those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. Finally, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable. (paper)

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

    Directory of Open Access Journals (Sweden)

    Joshua Rodewald

    2016-10-01

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

  6. Nanoscale inhomogeneity and photoacid generation dynamics in extreme ultraviolet resist materials

    Science.gov (United States)

    Wu, Ping-Jui; Wang, Yu-Fu; Chen, Wei-Chi; Wang, Chien-Wei; Cheng, Joy; Chang, Vencent; Chang, Ching-Yu; Lin, John; Cheng, Yuan-Chung

    2018-03-01

    The development of extreme ultraviolet (EUV) lithography towards the 22 nm node and beyond depends critically on the availability of resist materials that meet stringent control requirements in resolution, line edge roughness, and sensitivity. However, the molecular mechanisms that govern the structure-function relationships in current EUV resist systems are not well understood. In particular, the nanoscale structures of the polymer base and the distributions of photoacid generators (PAGs) should play a critical roles in the performance of a resist system, yet currently available models for photochemical reactions in EUV resist systems are exclusively based on homogeneous bulk models that ignore molecular-level details of solid resist films. In this work, we investigate how microscopic molecular organizations in EUV resist affect photoacid generations in a bottom-up approach that describes structure-dependent electron-transfer dynamics in a solid film model. To this end, molecular dynamics simulations and stimulated annealing are used to obtain structures of a large simulation box containing poly(4-hydroxystyrene) (PHS) base polymers and triphenylsulfonium based PAGs. Our calculations reveal that ion-pair interactions govern the microscopic distributions of the polymer base and PAG molecules, resulting in a highly inhomogeneous system with nonuniform nanoscale chemical domains. Furthermore, the theoretical structures were used in combination of quantum chemical calculations and the Marcus theory to evaluate electron transfer rates between molecular sites, and then kinetic Monte Carlo simulations were carried out to model electron transfer dynamics with molecular structure details taken into consideration. As a result, the portion of thermalized electrons that are absorbed by the PAGs and the nanoscale spatial distribution of generated acids can be estimated. Our data reveal that the nanoscale inhomogeneous distributions of base polymers and PAGs strongly affect the

  7. Axi-symmetric analysis of vertically inhomogeneous elastic multilayered systems

    CSIR Research Space (South Africa)

    Maina, JW

    2009-06-01

    Full Text Available primary resilient responses are investigated by way of worked examples of hypothetical three-layer system, which was analyzed by considering homogenous and inhomogeneous material properties in each of the three layers. Effect of a inhomogeneity parameter...

  8. Full-wave solution of short impulses in inhomogeneous plasma

    Indian Academy of Sciences (India)

    ... in arbitrarily inhomogeneous media will be presented on a fundamentally new, ... The general problem of wave propagation of monochromatic signals in inhomogeneous media was enlightened in [1]. ... Pramana – Journal of Physics | News.

  9. Cluster Tails for Critical Power-Law Inhomogeneous Random Graphs

    Science.gov (United States)

    van der Hofstad, Remco; Kliem, Sandra; van Leeuwaarden, Johan S. H.

    2018-04-01

    Recently, the scaling limit of cluster sizes for critical inhomogeneous random graphs of rank-1 type having finite variance but infinite third moment degrees was obtained in Bhamidi et al. (Ann Probab 40:2299-2361, 2012). It was proved that when the degrees obey a power law with exponent τ \\in (3,4), the sequence of clusters ordered in decreasing size and multiplied through by n^{-(τ -2)/(τ -1)} converges as n→ ∞ to a sequence of decreasing non-degenerate random variables. Here, we study the tails of the limit of the rescaled largest cluster, i.e., the probability that the scaling limit of the largest cluster takes a large value u, as a function of u. This extends a related result of Pittel (J Combin Theory Ser B 82(2):237-269, 2001) for the Erdős-Rényi random graph to the setting of rank-1 inhomogeneous random graphs with infinite third moment degrees. We make use of delicate large deviations and weak convergence arguments.

  10. Simulating Excitons in MoS2 with Time-Dependent Density Functional Theory

    Science.gov (United States)

    Flamant, Cedric; Kolesov, Grigory; Kaxiras, Efthimios

    Monolayer molybdenum disulfide, owing to its graphene-like two-dimensional geometry whilst still having a finite bandgap, is a material of great interest in condensed matter physics and for potential application in electronic devices. In particular, MoS2 exhibits significant excitonic effects, a desirable quality for fundamental many-body research. Time-dependent density functional theory (TD-DFT) allows us to simulate dynamical effects as well as temperature-based effects in a natural way given the direct treatment of the time evolution of the system. We present a TD-DFT study of monolayer MoS2 exciton dynamics, examining various qualitative and quantitative predictions in pure samples and in the presence of defects. In particular, we generate an absorption spectrum through simulated pulse excitation for comparison to experiment and also analyze the response of the exciton in an external electric field.In this work we also discuss the electronic structure of the exciton in MoS2 with and without vacancies.

  11. The theory and simulation of relativistic electron beam transport in the ion-focused regime

    International Nuclear Information System (INIS)

    Swanekamp, S.B.; Holloway, J.P.; Kammash, T.; Gilgenbach, R.M.

    1992-01-01

    Several recent experiments involving relativistic electron beam (REB) transport in plasma channels show two density regimes for efficient transport; a low-density regime known as the ion-focused regime (IFR) and a high-pressure regime. The results obtained in this paper use three separate models to explain the dependency of REB transport efficiency on the plasma density in the IFR. Conditions for efficient beam transport are determined by examining equilibrium solutions of the Vlasov--Maxwell equations under conditions relevant to IFR transport. The dynamic force balance required for efficient IFR transport is studied using the particle-in-cell (PIC) method. These simulations provide new insight into the transient beam front physics as well as the dynamic approach to IFR equilibrium. Nonlinear solutions to the beam envelope are constructed to explain oscillations in the beam envelope observed in the PIC simulations but not contained in the Vlasov equilibrium analysis. A test particle analysis is also developed as a method to visualize equilibrium solutions of the Vlasov equation. This not only provides further insight into the transport mechanism but also illustrates the connections between the three theories used to describe IFR transport. Separately these models provide valuable information about transverse beam confinement; together they provide a clear physical understanding of REB transport in the IFR

  12. The SIMRAND methodology: Theory and application for the simulation of research and development projects

    Science.gov (United States)

    Miles, R. F., Jr.

    1986-01-01

    A research and development (R&D) project often involves a number of decisions that must be made concerning which subset of systems or tasks are to be undertaken to achieve the goal of the R&D project. To help in this decision making, SIMRAND (SIMulation of Research ANd Development Projects) is a methodology for the selection of the optimal subset of systems or tasks to be undertaken on an R&D project. Using alternative networks, the SIMRAND methodology models the alternative subsets of systems or tasks under consideration. Each path through an alternative network represents one way of satisfying the project goals. Equations are developed that relate the system or task variables to the measure of reference. Uncertainty is incorporated by treating the variables of the equations probabilistically as random variables, with cumulative distribution functions assessed by technical experts. Analytical techniques of probability theory are used to reduce the complexity of the alternative networks. Cardinal utility functions over the measure of preference are assessed for the decision makers. A run of the SIMRAND Computer I Program combines, in a Monte Carlo simulation model, the network structure, the equations, the cumulative distribution functions, and the utility functions.

  13. Plasma confinement theory and transport simulation: Technical progress report, October 1, 1987-October 14, 1988

    International Nuclear Information System (INIS)

    Ross, D.W.

    1988-06-01

    An overview of the program has been given in the recent 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 computation facility. We also carry out equilibrium and stability studies in support of the TEXT upgrade, and work continues, at low levels, on Alfven waves and MFEnet software development. The specific focus of the program is to lay the groundwork for detailed comparison with experiment of the various transport theories, so that physics understanding and confidence in predictions of future machine behavior will be enhanced. 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 the simulation studies and evaluate the fits to the data. 37 refs

  14. Metrical theorems on systems of small inhomogeneous linear forms

    DEFF Research Database (Denmark)

    Hussain, Mumtaz; Kristensen, Simon

    In this paper we establish complete Khintchine-Groshev and Schmidt type theorems for inhomogeneous small linear forms in the so-called doubly metric case, in which the inhomogeneous parameter is not fixed.......In this paper we establish complete Khintchine-Groshev and Schmidt type theorems for inhomogeneous small linear forms in the so-called doubly metric case, in which the inhomogeneous parameter is not fixed....

  15. Subspace-based optimization method for inverse scattering problems with an inhomogeneous background medium

    International Nuclear Information System (INIS)

    Chen, Xudong

    2010-01-01

    This paper proposes a version of the subspace-based optimization method to solve the inverse scattering problem with an inhomogeneous background medium where the known inhomogeneities are bounded in a finite domain. Although the background Green's function at each discrete point in the computational domain is not directly available in an inhomogeneous background scenario, the paper uses the finite element method to simultaneously obtain the Green's function at all discrete points. The essence of the subspace-based optimization method is that part of the contrast source is determined from the spectrum analysis without using any optimization, whereas the orthogonally complementary part is determined by solving a lower dimension optimization problem. This feature significantly speeds up the convergence of the algorithm and at the same time makes it robust against noise. Numerical simulations illustrate the efficacy of the proposed algorithm. The algorithm presented in this paper finds wide applications in nondestructive evaluation, such as through-wall imaging

  16. Electric field computation and measurements in the electroporation of inhomogeneous samples

    Science.gov (United States)

    Bernardis, Alessia; Bullo, Marco; Campana, Luca Giovanni; Di Barba, Paolo; Dughiero, Fabrizio; Forzan, Michele; Mognaschi, Maria Evelina; Sgarbossa, Paolo; Sieni, Elisabetta

    2017-12-01

    In clinical treatments of a class of tumors, e.g. skin tumors, the drug uptake of tumor tissue is helped by means of a pulsed electric field, which permeabilizes the cell membranes. This technique, which is called electroporation, exploits the conductivity of the tissues: however, the tumor tissue could be characterized by inhomogeneous areas, eventually causing a non-uniform distribution of current. In this paper, the authors propose a field model to predict the effect of tissue inhomogeneity, which can affect the current density distribution. In particular, finite-element simulations, considering non-linear conductivity against field relationship, are developed. Measurements on a set of samples subject to controlled inhomogeneity make it possible to assess the numerical model in view of identifying the equivalent resistance between pairs of electrodes.

  17. Restoration of longitudinal laser tomography target image from inhomogeneous medium degradation under common conditions.

    Science.gov (United States)

    Yi, WenJun; Wang, Ping; Fu, MeiCheng; Tan, JiChun; Zhu, Jubo; Li, XiuJian

    2017-07-10

    In order to overcome the shortages of the target image restoration method for longitudinal laser tomography using self-calibration, a more general restoration method through backscattering medium images associated with prior parameters is developed for common conditions. The system parameters are extracted from pre-calibration, and the LIDAR ratio is estimated according to the medium types. Assisted by these prior parameters, the degradation caused by inhomogeneous turbid media can be established with the backscattering medium images, which can further be used for removal of the interferences of turbid media. The results of simulations and experiments demonstrate that the proposed image restoration method can effectively eliminate the inhomogeneous interferences of turbid media and achieve exactly the reflectivity distribution of targets behind inhomogeneous turbid media. Furthermore, the restoration method can work beyond the limitation of the previous method that only works well under the conditions of localized turbid attenuations and some types of targets with fairly uniform reflectivity distributions.

  18. Structure and dynamics of amorphous polymers: computer simulations compared to experiment and theory

    International Nuclear Information System (INIS)

    Paul, Wolfgang; Smith, Grant D

    2004-01-01

    This contribution considers recent developments in the computer modelling of amorphous polymeric materials. Progress in our capabilities to build models for the computer simulation of polymers from the detailed atomistic scale up to coarse-grained mesoscopic models, together with the ever-improving performance of computers, have led to important insights from computer simulations into the structural and dynamic properties of amorphous polymers. Structurally, chain connectivity introduces a range of length scales from that of the chemical bond to the radius of gyration of the polymer chain covering 2-4 orders of magnitude. Dynamically, this range of length scales translates into an even larger range of time scales observable in relaxation processes in amorphous polymers ranging from about 10 -13 to 10 -3 s or even to 10 3 s when glass dynamics is concerned. There is currently no single simulation technique that is able to describe all these length and time scales efficiently. On large length and time scales basic topology and entropy become the governing properties and this fact can be exploited using computer simulations of coarse-grained polymer models to study universal aspects of the structure and dynamics of amorphous polymers. On the largest length and time scales chain connectivity is the dominating factor leading to the strong increase in longest relaxation times described within the reptation theory of polymer melt dynamics. Recently, many of the universal aspects of this behaviour have been further elucidated by computer simulations of coarse-grained polymer models. On short length scales the detailed chemistry and energetics of the polymer are important, and one has to be able to capture them correctly using chemically realistic modelling of specific polymers, even when the aim is to extract generic physical behaviour exhibited by the specific chemistry. Detailed studies of chemically realistic models highlight the central importance of torsional dynamics

  19. Interpretation of the U L3-edge EXAFS in uranium dioxide using molecular dynamics and density functional theory simulations

    International Nuclear Information System (INIS)

    Bocharov, Dmitry; Chollet, Melanie; Krack, Matthias; Bertsch, Johannes; Grolimund, Daniel; Martin, Matthias; Kuzmin, Alexei; Purans, Juris; Kotomin, Eugene

    2016-01-01

    X-ray absorption spectroscopy is employed to study the local structure of pure and Cr-doped UO 2 at 300 K. The U L 3 -edge EXAFS spectrum is interpreted within the multiplescattering (MS) theory using the results of the classical and ab initio molecular dynamics simulations, allowing us to validate the accuracy of theoretical models. The Cr K-edge XANES is simulated within the full-multiple-scattering formalism considering a substitutional model (Cr at U site). It is shown that both unrelaxed and relaxed structures, produced by ab initio density functional theory (DFT) calculations, fail to describe the experiment. (paper)

  20. Propagation of strong electromagnetic beams in inhomogeneous plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ferrari, A; Massaglia, S [Consiglio Nazionale delle Ricerche, Turin (Italy). Lab. di Cosmo-Geofisica; Turin Univ. (Italy). Ist. di Fisica Generale)

    1980-09-01

    We study some simple aspects of nonlinear propagation of relativistically strong electromagnetic beams in inhomogeneous plasmas, especially in connection with effects of beam self-trapping in extended extragalactic radio sources. The two effects of (i) long scale longitudinal and radial inhomogeneities inherent to the plasma and (ii) radial inhomogeneities produced by the ponderomotive force of the beam itself are investigated.

  1. Dynamics of an inhomogeneous anisotropic antiferromagnetic spin chain

    International Nuclear Information System (INIS)

    Daniel, M.; Amuda, R.

    1994-11-01

    We investigate the nonlinear spin excitations in the two sublattice model of a one dimensional classical continuum Heisenberg inhomogeneous antiferromagnetic spin chain. The dynamics of the inhomogeneous chain reduces to that of its homogeneous counterpart when the inhomogeneity assumes a particular form. Apart from the usual twists and pulses, we obtain some planar configurations representing the nonlinear dynamics of spins. (author). 12 refs

  2. Modeling inhomogeneous DNA replication kinetics.

    Directory of Open Access Journals (Sweden)

    Michel G Gauthier

    Full Text Available In eukaryotic organisms, DNA replication is initiated at a series of chromosomal locations called origins, where replication forks are assembled proceeding bidirectionally to replicate the genome. The distribution and firing rate of these origins, in conjunction with the velocity at which forks progress, dictate the program of the replication process. Previous attempts at modeling DNA replication in eukaryotes have focused on cases where the firing rate and the velocity of replication forks are homogeneous, or uniform, across the genome. However, it is now known that there are large variations in origin activity along the genome and variations in fork velocities can also take place. Here, we generalize previous approaches to modeling replication, to allow for arbitrary spatial variation of initiation rates and fork velocities. We derive rate equations for left- and right-moving forks and for replication probability over time that can be solved numerically to obtain the mean-field replication program. This method accurately reproduces the results of DNA replication simulation. We also successfully adapted our approach to the inverse problem of fitting measurements of DNA replication performed on single DNA molecules. Since such measurements are performed on specified portion of the genome, the examined DNA molecules may be replicated by forks that originate either within the studied molecule or outside of it. This problem was solved by using an effective flux of incoming replication forks at the model boundaries to represent the origin activity outside the studied region. Using this approach, we show that reliable inferences can be made about the replication of specific portions of the genome even if the amount of data that can be obtained from single-molecule experiments is generally limited.

  3. Inhomogeneous target-dose distributions: a dimension more for optimization?

    International Nuclear Information System (INIS)

    Gersem, Werner R.T. de; Derycke, Sylvie; Colle, Christophe O.; Wagter, Carlos de; Neve, Wilfried J. de

    1999-01-01

    Purpose: To evaluate if the use of inhomogeneous target-dose distributions, obtained by 3D conformal radiotherapy plans with or without beam intensity modulation, offers the possibility to decrease indices of toxicity to normal tissues and/or increase indices of tumor control stage III non-small cell lung cancer (NSCLC). Methods and Materials: Ten patients with stage III NSCLC were planned using a conventional 3D technique and a technique involving noncoplanar beam intensity modulation (BIM). Two planning target volumes (PTVs) were defined: PTV1 included macroscopic tumor volume and PTV2 included macroscopic and microscopic tumor volume. Virtual simulation defined the beam shapes and incidences as well as the wedge orientations (3D) and segment outlines (BIM). Weights of wedged beams, unwedged beams, and segments were determined by optimization using an objective function with a biological and a physical component. The biological component included tumor control probability (TCP) for PTV1 (TCP1), PTV2 (TCP2), and normal tissue complication probability (NTCP) for lung, spinal cord, and heart. The physical component included the maximum and minimum dose as well as the standard deviation of the dose at PTV1. The most inhomogeneous target-dose distributions were obtained by using only the biological component of the objective function (biological optimization). By enabling the physical component in addition to the biological component, PTV1 inhomogeneity was reduced (biophysical optimization). As indices for toxicity to normal tissues, NTCP-values as well as maximum doses or dose levels to relevant fractions of the organ's volume were used. As indices for tumor control, TCP-values as well as minimum doses to the PTVs were used. Results: When optimization was performed with the biophysical as compared to the biological objective function, the PTV1 inhomogeneity decreased from 13 (8-23)% to 4 (2-9)% for the 3D-(p = 0.00009) and from 44 (33-56)% to 20 (9-34)% for the BIM

  4. Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-sphere discrete element method simulations

    OpenAIRE

    Vescovi, Dalila; Berzi, Diego; Richard, Patrick; Brodu, Nicolas

    2014-01-01

    International audience; We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed av...

  5. CFD simulation of direct contact condensation with ANSYS CFX using surface renewal theory based heat transfer coefficients

    Energy Technology Data Exchange (ETDEWEB)

    Wanninger, Andreas; Ceuca, Sabin Cristian; Macian-Juan, Rafael [Technische Univ. Muenchen, Garching (Germany). Dept. of Nuclear Engineering

    2013-07-01

    Different approaches for the calculation of Direct Contact Condensation (DCC) using Heat Transfer Coefficients (HTC) based on the Surface Renewal Theory (SRT) are tested using the CFD simulation tool ANSYS CFX. The present work constitutes a preliminary study of the flow patterns and conditions observed using different HTC models. A complex 3D flow pattern will be observed in the CFD simulations as well as a strong coupling between the condensation rate and the two-phase flow dynamics. (orig.)

  6. Fused hard-sphere chain molecules: Comparison between Monte Carlo simulation for the bulk pressure and generalized Flory theories

    International Nuclear Information System (INIS)

    Costa, L.A.; Zhou, Y.; Hall, C.K.; Carra, S.

    1995-01-01

    We report Monte Carlo simulation results for the bulk pressure of fused-hard-sphere (FHS) chain fluids with bond-length-to-bead-diameter ratios ∼ 0.4 at chain lengths n=4, 8 and 16. We also report density profiles for FHS chain fluids at a hard wall. The results for the compressibility factor are compared to results from extensions of the Generalized Flory (GF) and Generalized Flory Dimer (GFD) theories proposed by Yethiraj et al. and by us. Our new GF theory, GF-AB, significantly improves the prediction of the bulk pressure of fused-hard-sphere chains over the GFD theories proposed by Yethiraj et al. and by us although the GFD theories give slightly better low-density results. The GFD-A theory, the GFD-B theory and the new theories (GF-AB, GFD-AB, and GFD-AC) satisfy the exact zero-bonding-length limit. All theories considered recover the GF or GFD theories at the tangent hard-sphere chain limit

  7. 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.

  8. Two-point correlation functions in inhomogeneous and anisotropic cosmologies

    International Nuclear Information System (INIS)

    Marcori, Oton H.; Pereira, Thiago S.

    2017-01-01

    Two-point correlation functions are ubiquitous tools of modern cosmology, appearing in disparate topics ranging from cosmological inflation to late-time astrophysics. When the background spacetime is maximally symmetric, invariance arguments can be used to fix the functional dependence of this function as the invariant distance between any two points. In this paper we introduce a novel formalism which fixes this functional dependence directly from the isometries of the background metric, thus allowing one to quickly assess the overall features of Gaussian correlators without resorting to the full machinery of perturbation theory. As an application we construct the CMB temperature correlation function in one inhomogeneous (namely, an off-center LTB model) and two spatially flat and anisotropic (Bianchi) universes, and derive their covariance matrices in the limit of almost Friedmannian symmetry. We show how the method can be extended to arbitrary N -point correlation functions and illustrate its use by constructing three-point correlation functions in some simple geometries.

  9. Microinstabilities in a radially contracting inhomogeneous cylindrical plasma slab

    International Nuclear Information System (INIS)

    Deutsch, R.; Kaeppeler, H.J.

    1980-07-01

    In order to study the development of microinstabilities in a collapsing cylindrical plasma sheath, corresponding to the situations in a z-pinch or a plasma focus, the dispersion relation for electromagnetic perturbations is derived with the aid of a newly established slab-model for an inhomogeneous, radially contracting plasma. In contrast to previously used slab-models, the orientation of the electric field is in direction of the cylinder axis and the azimuthal magnetic field is induced by the current flowing through the cylindrical plasma slab. The Vlasov equation is used together with the Krook collision term in order to include the influence of collisions. The results of this theory presented in this report will be used to calculate the growth of drift instabilities in the compression phase of a plasma focus, and shall serve as a basis for further development of a more general dispersion relation including runaway-effects. (orig.)

  10. Two-point correlation functions in inhomogeneous and anisotropic cosmologies

    Energy Technology Data Exchange (ETDEWEB)

    Marcori, Oton H.; Pereira, Thiago S., E-mail: otonhm@hotmail.com, E-mail: tspereira@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86057-970, Londrina PR (Brazil)

    2017-02-01

    Two-point correlation functions are ubiquitous tools of modern cosmology, appearing in disparate topics ranging from cosmological inflation to late-time astrophysics. When the background spacetime is maximally symmetric, invariance arguments can be used to fix the functional dependence of this function as the invariant distance between any two points. In this paper we introduce a novel formalism which fixes this functional dependence directly from the isometries of the background metric, thus allowing one to quickly assess the overall features of Gaussian correlators without resorting to the full machinery of perturbation theory. As an application we construct the CMB temperature correlation function in one inhomogeneous (namely, an off-center LTB model) and two spatially flat and anisotropic (Bianchi) universes, and derive their covariance matrices in the limit of almost Friedmannian symmetry. We show how the method can be extended to arbitrary N -point correlation functions and illustrate its use by constructing three-point correlation functions in some simple geometries.

  11. Theory and simulation of explicit solvent effects on protein folding in vitro and in vivo

    Science.gov (United States)

    England, Jeremy L.

    The aim of this work is to develop theoretical tools for understanding what happens to water that is confined in amphipathic cavities, and for testing the consequences of this understanding for protein folding in vitro and in vivo. We begin in the first chapter with a brief review of the theoretical and simulation literature on the hydrophobic effect and the aqueous solvation of charged species that also puts forward a simple theoretical framework within which various solvation phenomena reported in past studies may be unified. Subsequently, in the second chapter we also review past computational and theoretical work on the specific question of how chaperonin complexes assist the folding of their substrates. With the context set, we turn in Chapter 3 to the case of an open system with water trapped between hydrophobic plates that experiences a uniform electric field normal to and between the plates. Classic bulk theory of electrostriction in polarizable fluids tells us that the electric field should cause an increase in local water density as it rises, yet some simulations have suggested the opposite. We present a mean-field Potts model we have developed to explain this discrepancy, and show how such a simple, coarse-grained lattice description can capture the fundamental consequences of the fact that external electric fields can frustrate the hydrogen bond network in confined water. Chapter 4 continues to pursue the issue of solvent evacuation between hydrophobic plates, but focuses on the impact of chemical denaturants on hydrophobic effects using molecular dynamics simulations of hydrophobic dewetting. We find that while urea and guanidinium have similar qualitative effects at the bulk level, they seem to differ in the microscopic mechanism by which they denature proteins, although both inhibit the onset of dewetting. Lastly, Chapters 5 and 6 examine the potential importance of solvent-mediated forces to protein folding in vivo. Chapter 5 develops a Landau

  12. The Decision to Emigrate: A Simulation Model Based on the Theory of Planned Behaviour

    NARCIS (Netherlands)

    Willekens, F.J.; Grow, A.; Van Bavel, J.

    2016-01-01

    The theory of planned behaviour (TPB) is one of the most widely used theories of behaviour. It was developed by Ajzen as an extension of Fishbein’s theory of reasoned action (Fishbein and Ajzen, Predicting and changing behaviour. Psychology Press, New York, 2010). The theory states that intentions

  13. Understanding Reactions to Workplace Injustice through Process Theories of Motivation: A Teaching Module and Simulation

    Science.gov (United States)

    Stecher, Mary D.; Rosse, Joseph G.

    2007-01-01

    Management and organizational behavior students are often overwhelmed by the plethora of motivation theories they must master at the undergraduate level. This article offers a teaching module geared toward helping students understand how two major process theories of motivation, equity and expectancy theories and theories of organizational…

  14. Electron dynamics in inhomogeneous magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Nogaret, Alain, E-mail: A.R.Nogaret@bath.ac.u [Department of Physics, University of Bath, Bath BA2 7AY (United Kingdom)

    2010-06-30

    This review explores the dynamics of two-dimensional electrons in magnetic potentials that vary on scales smaller than the mean free path. The physics of microscopically inhomogeneous magnetic fields relates to important fundamental problems in the fractional quantum Hall effect, superconductivity, spintronics and graphene physics and spins out promising applications which will be described here. After introducing the initial work done on electron localization in random magnetic fields, the experimental methods for fabricating magnetic potentials are presented. Drift-diffusion phenomena are then described, which include commensurability oscillations, magnetic channelling, resistance resonance effects and magnetic dots. We then review quantum phenomena in magnetic potentials including magnetic quantum wires, magnetic minibands in superlattices, rectification by snake states, quantum tunnelling and Klein tunnelling. The third part is devoted to spintronics in inhomogeneous magnetic fields. This covers spin filtering by magnetic field gradients and circular magnetic fields, electrically induced spin resonance, spin resonance fluorescence and coherent spin manipulation. (topical review)

  15. A nonquasiclassical description of inhomogeneous superconductors

    International Nuclear Information System (INIS)

    Zaikin, A.D.; Panyukov, S.V.

    1988-01-01

    Exact microscopic equations are derived that make it possible to describe inhomogeneous superconductors when the quasi-classical approach is not suitable. These equations are simpler than the Gorkov equations. The authors generalize the derived equations for describing the nonequilibrium states of inhomogeneous superconductors. It is demonstrated that the derived equations (including the case of a nonequilibrium quasi particle distribution function) may be written in the form of linear differential equations for the simultaneous wave function μ, ν. The quasi-classical limit of such equations is examined. Effective boundary conditions are derived for the μ, ν functions that allow description of superconductors with a sharp change in parameters within the scope of the quasi-classical approach

  16. Inhomogeneities from quantum collapse scheme without inflation

    Energy Technology Data Exchange (ETDEWEB)

    Bengochea, Gabriel R., E-mail: gabriel@iafe.uba.ar [Instituto de Astronomía y Física del Espacio (IAFE), UBA-CONICET, CC 67, Suc. 28, 1428 Buenos Aires (Argentina); Cañate, Pedro, E-mail: pedro.canate@nucleares.unam.mx [Instituto de Ciencias Nucleares, UNAM, México D.F. 04510, México (Mexico); Sudarsky, Daniel, E-mail: sudarsky@nucleares.unam.mx [Instituto de Ciencias Nucleares, UNAM, México D.F. 04510, México (Mexico)

    2015-04-09

    In this work, we consider the problem of the emergence of seeds of cosmic structure in the framework of the non-inflationary model proposed by Hollands and Wald. In particular, we consider a modification to that proposal designed to account for breaking the symmetries of the initial quantum state, leading to the generation of the primordial inhomogeneities. This new ingredient is described in terms of a spontaneous reduction of the wave function. We investigate under which conditions one can recover an essentially scale free spectrum of primordial inhomogeneities, and which are the dominant deviations that arise in the model as a consequence of the introduction of the collapse of the quantum state into that scenario.

  17. Equilibrium and stability in strongly inhomogeneous plasmas

    International Nuclear Information System (INIS)

    Mynick, H.E.

    1978-10-01

    The equilibrium of strongly inhomogeneous, collisionless, slab plasmas, is studied using a generalized version of a formalism previously developed, which permits the generation of self-consistent equilibria, for plasmas with arbitrary magnetic shear, and variation of magnetic field strength. A systematic procedure is developed for deriving the form of the guiding-center Hamiltonian K, for finite eta, in an axisymmetric geometry. In the process of obtaining K, an expression for the first adiabatic invariant (the gyroaction) is obtained, which generalizes the usual expression 1/2 mv/sub perpendicular/ 2 /Ω/sub c/ (Ω/sub c/ = eB/mc), to finite eta and magnetic shear. A formalism is developed for the study of the stability of strongly-inhomogeneous, magnetized slab plasmas; it is then applied to the ion-drift-cyclotron instability

  18. Primordial inhomogeneities from massive defects during inflation

    Energy Technology Data Exchange (ETDEWEB)

    Firouzjahi, Hassan; Karami, Asieh; Rostami, Tahereh, E-mail: firouz@ipm.ir, E-mail: karami@ipm.ir, E-mail: t.rostami@ipm.ir [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran (Iran, Islamic Republic of)

    2016-10-01

    We consider the imprints of local massive defects, such as a black hole or a massive monopole, during inflation. The massive defect breaks the background homogeneity. We consider the limit that the physical Schwarzschild radius of the defect is much smaller than the inflationary Hubble radius so a perturbative analysis is allowed. The inhomogeneities induced in scalar and gravitational wave power spectrum are calculated. We obtain the amplitudes of dipole, quadrupole and octupole anisotropies in curvature perturbation power spectrum and identify the relative configuration of the defect to CMB sphere in which large observable dipole asymmetry can be generated. We observe a curious reflection symmetry in which the configuration where the defect is inside the CMB comoving sphere has the same inhomogeneous variance as its mirror configuration where the defect is outside the CMB sphere.

  19. Cosmic acceleration driven by mirage inhomogeneities

    Energy Technology Data Exchange (ETDEWEB)

    Galfard, Christophe [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce road, Cambridge CB3 0WA (United Kingdom); Germani, Cristiano [DAMTP, Centre for Mathematical Sciences, University of Cambridge, Wilberforce road, Cambridge CB3 0WA (United Kingdom); Kehagias, Alex [Physics Division, National Technical University of Athens, 15780 Zografou Campus, Athens (Greece)

    2006-03-21

    A cosmological model based on an inhomogeneous D3-brane moving in an AdS{sub 5} x S{sub 5} bulk is introduced. Although there are no special points in the bulk, the brane universe has a centre and is isotropic around it. The model has an accelerating expansion and its effective cosmological constant is inversely proportional to the distance from the centre, giving a possible geometrical origin for the smallness of a present-day cosmological constant. Besides, if our model is considered as an alternative of early-time acceleration, it is shown that the early stage accelerating phase ends in a dust-dominated FRW homogeneous universe. Mirage-driven acceleration thus provides a dark matter component for the brane universe final state. We finally show that the model fulfils the current constraints on inhomogeneities.

  20. Inflation and inhomogeneities: a hybrid quantization

    International Nuclear Information System (INIS)

    Olmedo, J; Fernández-Méndez, M; Mena Marugán, G A

    2012-01-01

    We provide a complete quantization of a homogeneous and isotropic spacetime with positive spatial curvature coupled to a massive scalar field in the framework of Loop Quantum Cosmology. The physical Hilbert space is constructed out of the space of initial data on the minimum volume section. By means of a perturbative treatment we introduce inhomogeneities and thereafter we adopt a hybrid quantum approach, in which these inhomogeneous degrees of freedom are described by a standard Fock quantization. For the considered case of compact spatial topology, the requirements of: i) invariance of the vacuum state under the spatial isometries, and ii) unitary implementation of the quantum dynamics, pick up a privileged set of canonical fields and a unique Fock representation (up to unitary equivalence).

  1. 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.

  2. Extraction of space-charge-dominated ion beams from an ECR ion source: Theory and simulation

    Science.gov (United States)

    Alton, G. D.; Bilheux, H.

    2004-05-01

    Extraction of high quality space-charge-dominated ion beams from plasma ion sources constitutes an optimization problem centered about finding an optimal concave plasma emission boundary that minimizes half-angular divergence for a given charge state, independent of the presence or lack thereof of a magnetic field in the extraction region. The curvature of the emission boundary acts to converge/diverge the low velocity beam during extraction. Beams of highest quality are extracted whenever the half-angular divergence, ω, is minimized. Under minimum half-angular divergence conditions, the plasma emission boundary has an optimum curvature and the perveance, P, current density, j+ext, and extraction gap, d, have optimum values for a given charge state, q. Optimum values for each of the independent variables (P, j+ext and d) are found to be in close agreement with those derived from elementary analytical theory for extraction with a simple two-electrode extraction system, independent of the presence of a magnetic field. The magnetic field only increases the emittances of beams through additional aberrational effects caused by increased angular divergences through coupling of the longitudinal to the transverse velocity components of particles as they pass though the mirror region of the electron cyclotron resonance (ECR) ion source. This article reviews the underlying theory of elementary extraction optics and presents results derived from simulation studies of extraction of space-charge dominated heavy-ion beams of varying mass, charge state, and intensity from an ECR ion source with emphasis on magnetic field induced effects.

  3. Extraction of space-charge-dominated ion beams from an ECR ion source: Theory and simulation

    International Nuclear Information System (INIS)

    Alton, G.D.; Bilheux, H.

    2004-01-01

    Extraction of high quality space-charge-dominated ion beams from plasma ion sources constitutes an optimization problem centered about finding an optimal concave plasma emission boundary that minimizes half-angular divergence for a given charge state, independent of the presence or lack thereof of a magnetic field in the extraction region. The curvature of the emission boundary acts to converge/diverge the low velocity beam during extraction. Beams of highest quality are extracted whenever the half-angular divergence, ω, is minimized. Under minimum half-angular divergence conditions, the plasma emission boundary has an optimum curvature and the perveance, P, current density, j +ext , and extraction gap, d, have optimum values for a given charge state, q. Optimum values for each of the independent variables (P, j +ext and d) are found to be in close agreement with those derived from elementary analytical theory for extraction with a simple two-electrode extraction system, independent of the presence of a magnetic field. The magnetic field only increases the emittances of beams through additional aberrational effects caused by increased angular divergences through coupling of the longitudinal to the transverse velocity components of particles as they pass though the mirror region of the electron cyclotron resonance (ECR) ion source. This article reviews the underlying theory of elementary extraction optics and presents results derived from simulation studies of extraction of space-charge dominated heavy-ion beams of varying mass, charge state, and intensity from an ECR ion source with emphasis on magnetic field induced effects

  4. A close examination of the structure and dynamics of HC(NH2)2PbI3by MD simulations and group theory

    KAUST Repository

    Carignano, M. A.; Saeed, Y.; Aravindh, S. Assa; Roqan, Iman S.; Even, J.; Katan, C.

    2016-01-01

    The formamidinium lead iodide hybrid perovskite is studied using first principles molecular dynamics simulations and further analyzed using group theory. The simulations are performed on large supercells containing 768 atoms under isothermal

  5. Diffusion MRI: Mitigation of Magnetic Field Inhomogeneities

    Czech Academy of Sciences Publication Activity Database

    Marcon, P.; Bartušek, Karel; Dokoupil, Zdeněk; Gescheidtová, E.

    2012-01-01

    Roč. 12, č. 5 (2012), s. 205-212 ISSN 1335-8871 R&D Projects: GA MŠk ED0017/01/01; GA ČR GAP102/11/0318; GA ČR GAP102/12/1104 Institutional support: RVO:68081731 Keywords : correction * diffusion * inhomogeneity * eddy currents * magnetic resonance Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.233, year: 2012

  6. Cliques in dense inhomogenous random graphs

    Czech Academy of Sciences Publication Activity Database

    Doležal, Martin; Hladký, Jan; Máthé, A.

    2017-01-01

    Roč. 51, č. 2 (2017), s. 275-314 ISSN 1042-9832 R&D Projects: GA ČR GA16-07378S EU Projects: European Commission(XE) 628974 - PAECIDM Institutional support: RVO:67985840 Keywords : inhomogeneous random graphs * clique number Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 1.243, year: 2016 http://onlinelibrary.wiley.com/doi/10.1002/ rsa .20715/abstract

  7. Controlling Charged Particles with Inhomogeneous Electrostatic Fields

    Science.gov (United States)

    Herrero, Federico A. (Inventor)

    2016-01-01

    An energy analyzer for a charged-particle spectrometer may include a top deflection plate and a bottom deflection plate. The top and bottom deflection plates may be non-symmetric and configured to generate an inhomogeneous electrostatic field when a voltage is applied to one of the top or bottom deflection plates. In some instances, the top and bottom deflection plates may be L-shaped deflection plates.

  8. Cliques in dense inhomogenous random graphs

    Czech Academy of Sciences Publication Activity Database

    Doležal, Martin; Hladký, Jan; Máthé, A.

    2017-01-01

    Roč. 51, č. 2 (2017), s. 275-314 ISSN 1042-9832 R&D Projects: GA ČR GA16-07378S EU Projects: European Commission(XE) 628974 - PAECIDM Institutional support: RVO:67985840 Keywords : inhomogeneous random graphs * clique number Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 1.243, year: 2016 http://onlinelibrary.wiley.com/doi/10.1002/rsa.20715/abstract

  9. Rotational inhomogeneities from pre-big bang?

    International Nuclear Information System (INIS)

    Giovannini, Massimo

    2005-01-01

    The evolution of the rotational inhomogeneities is investigated in the specific framework of four-dimensional pre-big bang models. While minimal (dilaton-driven) scenarios do not lead to rotational fluctuations, in the case of non-minimal (string-driven) models, fluid sources are present in the pre-big bang phase. The rotational modes of the geometry, coupled to the divergenceless part of the velocity field, can then be amplified depending upon the value of the barotropic index of the perfect fluids. In the light of a possible production of rotational inhomogeneities, solutions describing the coupled evolution of the dilaton field and of the fluid sources are scrutinized in both the string and Einstein frames. In semi-realistic scenarios, where the curvature divergences are regularized by means of a non-local dilaton potential, the rotational inhomogeneities are amplified during the pre-big bang phase but they decay later on. Similar analyses can also be performed when a contraction occurs directly in the string frame metric

  10. Inhomogeneous neutrino degeneracy and big bang nucleosynthesis

    International Nuclear Information System (INIS)

    Whitmire, Scott E.; Scherrer, Robert J.

    2000-01-01

    We examine big bang nucleosynthesis (BBN) in the case of inhomogeneous neutrino degeneracy, in the limit where the fluctuations are sufficiently small on large length scales that the present-day element abundances are homogeneous. We consider two representative cases: degeneracy of the electron neutrino alone and equal chemical potentials for all three neutrinos. We use a linear programming method to constrain an arbitrary distribution of the chemical potentials. For the current set of (highly restrictive) limits on the primordial element abundances, homogeneous neutrino degeneracy barely changes the allowed range of the baryon-to-photon ratio η. Inhomogeneous degeneracy allows for little change in the lower bound on η, but the upper bound in this case can be as large as η=1.1x10 -8 (only ν e degeneracy) or η=1.0x10 -9 (equal degeneracies for all three neutrinos). For the case of inhomogeneous neutrino degeneracy, we show that there is no BBN upper bound on the neutrino energy density, which is bounded in this case only by limits from structure formation and the cosmic microwave background. (c) 2000 The American Physical Society

  11. Rotational inhomogeneities from pre-big bang?

    Energy Technology Data Exchange (ETDEWEB)

    Giovannini, Massimo [Department of Physics, Theory Division, CERN, 1211 Geneva 23 (Switzerland)

    2005-01-21

    The evolution of the rotational inhomogeneities is investigated in the specific framework of four-dimensional pre-big bang models. While minimal (dilaton-driven) scenarios do not lead to rotational fluctuations, in the case of non-minimal (string-driven) models, fluid sources are present in the pre-big bang phase. The rotational modes of the geometry, coupled to the divergenceless part of the velocity field, can then be amplified depending upon the value of the barotropic index of the perfect fluids. In the light of a possible production of rotational inhomogeneities, solutions describing the coupled evolution of the dilaton field and of the fluid sources are scrutinized in both the string and Einstein frames. In semi-realistic scenarios, where the curvature divergences are regularized by means of a non-local dilaton potential, the rotational inhomogeneities are amplified during the pre-big bang phase but they decay later on. Similar analyses can also be performed when a contraction occurs directly in the string frame metric.

  12. Developments in perturbation theory

    International Nuclear Information System (INIS)

    Greenspan, E.

    1976-01-01

    Included are sections dealing with perturbation expressions for reactivity, methods for the calculation of perturbed fluxes, integral transport theory formulations for reactivity, generalized perturbation theory, sensitivity and optimization studies, multigroup calculations of bilinear functionals, and solution of inhomogeneous Boltzmann equations with singular operators

  13. Light Condensation and Localization in Disordered Photonic Media: Theory and Large Scale ab initio Simulations

    KAUST Repository

    Toth, Laszlo Daniel

    2013-05-07

    Disordered photonics is the study of light in random media. In a disordered photonic medium, multiple scattering of light and coherence, together with the fundamental principle of reciprocity, produce a wide range of interesting phenomena, such as enhanced backscattering and Anderson localization of light. They are also responsible for the existence of modes in these random systems. It is known that analogous processes to Bose-Einstein condensation can occur in classical wave systems, too. Classical condensation has been studied in several contexts in photonics: pulse formation in lasers, mode-locking theory and coherent emission of disordered lasers. All these systems have the common theme of possessing a large ensemble of waves or modes, together with nonlinearity, dispersion or gain. In this work, we study light condensation and its connection with light localization in a disordered, passive dielectric medium. We develop a theory for the modes inside the disordered resonator, which combines the Feshbach projection technique with spin-glass theory and statistical physics. In particular, starting from the Maxwell’s equations, we map the system to a spherical p-spin model with p = 2. The spins are replaced by modes and the temperature is related to the fluctuations in the environment. We study the equilibrium thermodynamics of the system in a general framework and show that two distinct phases exist: a paramagnetic phase, where all the modes are randomly oscillating and a condensed phase, where the energy condensates on a single mode. The thermodynamic quantities can be explicitly interpreted and can also be computed from the disorder-averaged time domain correlation function. We launch an ab initio simulation campaign using our own code and the Shaheen supercomputer to test the theoretical predictions. We construct photonic samples of varying disorder and find computationally relevant ways to obtain the thermodynamic quantities. We observe the phase transition

  14. Computer Simulations of Quantum Theory of Hydrogen Atom for Natural Science Education Students in a Virtual Lab

    Science.gov (United States)

    Singh, Gurmukh

    2012-01-01

    The present article is primarily targeted for the advanced college/university undergraduate students of chemistry/physics education, computational physics/chemistry, and computer science. The most recent software system such as MS Visual Studio .NET version 2010 is employed to perform computer simulations for modeling Bohr's quantum theory of…

  15. Extension of the Johnson-Mehl-Avrami-Kolmogorov theory incorporating anisotropic growth studied by Monte Carlo simulations

    NARCIS (Netherlands)

    Kooi, BJ

    An analytical theory has been developed, based on Monte Carlo (MC) simulations, describing the kinetics of isothermal phase transformations proceeding by nucleation and subsequent growth for d-1 dimensional growth in d dimensional space (with d 2 or 3). This type of growth is of interest since it is

  16. On theory and simulation of heaving-buoy wave-energy converters with control

    Energy Technology Data Exchange (ETDEWEB)

    Eidsmoen, H.

    1995-12-01

    Heaving-buoy wave-energy converters with control were studied. The buoy is small compared to the wavelength. The resonance bandwidth is then narrow and the energy conversion in irregular waves can be significantly increased if the oscillatory motion of the device can be actively controlled, and the power output from the converter will vary less with time than the wave power transport. A system of two concentric cylinders of the same radius, oscillating in heave only, is analysed in the frequency-domain. The mathematical model can be used to study a tight-moored buoy, as well as a buoy reacting against a submerged body. The knowledge of the frequency-domain hydrodynamic parameters is used to develop frequency-domain and time-domain mathematical models of heaving-buoy wave energy converters. The main emphasis is on using control to maximize the energy production and to protect the machinery of the wave-energy converter in very large waves. Three different methods are used to study control. (1) In the frequency-domain explicit analytical expressions for the optimum oscillation are found, assuming a continuous sinusoidal control force, and from these expressions the optimum time-domain oscillation can be determined. (2) The second method uses optimal control theory, using a control variable as the instrument for the optimisation. Unlike the first method, this method can include non-linearities. But this method gives numerical time series for the state variables and the control variable rather than analytical expressions for the optimum oscillation. (3) The third method is time-domain simulation. Non-linear forces are included, but the method only gives the response of the system to a given incident wave. How the different methods can be used to develop real-time control is discussed. Simulations are performed for a tight-moored heaving-buoy converter with a high-pressure hydraulic system for energy production and motion control. 147 refs., 38 figs., 22 tabs.

  17. Theory, simulation and experimental results of the acoustic detection of magnetization changes in superparamagnetic iron oxide

    Directory of Open Access Journals (Sweden)

    Borgert Jörn

    2011-06-01

    Full Text Available Abstract Background Magnetic Particle Imaging is a novel method for medical imaging. It can be used to measure the local concentration of a tracer material based on iron oxide nanoparticles. While the resulting images show the distribution of the tracer material in phantoms or anatomic structures of subjects under examination, no information about the tissue is being acquired. To expand Magnetic Particle Imaging into the detection of soft tissue properties, a new method is proposed, which detects acoustic emissions caused by magnetization changes in superparamagnetic iron oxide. Methods Starting from an introduction to the theory of acoustically detected Magnetic Particle Imaging, a comparison to magnetically detected Magnetic Particle Imaging is presented. Furthermore, an experimental setup for the detection of acoustic emissions is described, which consists of the necessary field generating components, i.e. coils and permanent magnets, as well as a calibrated microphone to perform the detection. Results The estimated detection limit of acoustic Magnetic Particle Imaging is comparable to the detection limit of magnetic resonance imaging for iron oxide nanoparticles, whereas both are inferior to the theoretical detection limit for magnetically detected Magnetic Particle Imaging. Sufficient data was acquired to perform a comparison to the simulated data. The experimental results are in agreement with the simulations. The remaining differences can be well explained. Conclusions It was possible to demonstrate the detection of acoustic emissions of magnetic tracer materials in Magnetic Particle Imaging. The processing of acoustic emission in addition to the tracer distribution acquired by magnetic detection might allow for the extraction of mechanical tissue parameters. Such parameters, like for example the velocity of sound and the attenuation caused by the tissue, might also be used to support and improve ultrasound imaging. However, the method

  18. Tried and true: self-regulation theory as a guiding framework for teaching parents diabetes education using human patient simulation.

    Science.gov (United States)

    Sullivan-Bolyai, Susan; Johnson, Kimberly; Cullen, Karen; Hamm, Terry; Bisordi, Jean; Blaney, Kathleen; Maguire, Laura; Melkus, Gail

    2014-01-01

    Parents become emotionally upset when learning that their child has type 1 diabetes, yet they are expected to quickly learn functional diabetes management. The purpose of this article is to describe the application of self-regulation theory to guide a family-focused education intervention using human patient simulation to enhance the initial education of parents in diabetes management. A brief description is provided of the intervention framed by self-regulation theory. On the basis of the literature, we describe the educational vignettes used based on self-regulation in the randomized controlled trial entitled "Parent Education Through Simulation-Diabetes." Examples of theory-in-practice will be illustrated by parental learning responses to this alternative educational innovation.

  19. Spatial inhomogeneous barrier heights at graphene/semiconductor Schottky junctions

    Science.gov (United States)

    Tomer, Dushyant

    Graphene, a semimetal with linear energy dispersion, forms Schottky junction when interfaced with a semiconductor. This dissertation presents temperature dependent current-voltage and scanning tunneling microscopy/spectroscopy (STM/S) measurements performed on graphene Schottky junctions formed with both three and two dimensional semiconductors. To fabricate Schottky junctions, we transfer chemical vapor deposited monolayer graphene onto Si- and C-face SiC, Si, GaAs and MoS2 semiconducting substrates using polymer assisted chemical method. We observe three main type of intrinsic spatial inhomogeneities, graphene ripples, ridges and semiconductor steps in STM imaging that can exist at graphene/semiconductor junctions. Tunneling spectroscopy measurements reveal fluctuations in graphene Dirac point position, which is directly related to the Schottky barrier height. We find a direct correlation of Dirac point variation with the topographic undulations of graphene ripples at the graphene/SiC junction. However, no such correlation is established at graphene/Si and Graphene/GaAs junctions and Dirac point variations are attributed to surface states and trapped charges at the interface. In addition to graphene ripples and ridges, we also observe atomic scale moire patterns at graphene/MoS2 junction due to van der Waals interaction at the interface. Periodic topographic modulations due to moire pattern do not lead to local variation in graphene Dirac point, indicating that moire pattern does not contribute to fluctuations in electronic properties of the heterojunction. We perform temperature dependent current-voltage measurements to investigate the impact of topographic inhomogeneities on electrical properties of the Schottky junctions. We observe temperature dependence in junction parameters, such as Schottky barrier height and ideality factor, for all types of Schottky junctions in forward bias measurements. Standard thermionic emission theory which assumes a perfect

  20. Effects of periodic boundary conditions on equilibrium properties of computer simulated fluids. I. Theory

    International Nuclear Information System (INIS)

    Pratt, L.R.; Haan, S.W.

    1981-01-01

    An exact formal theory for the effects of periodic boundary conditions on the equilibrium properties of computer simulated classical many-body systems is developed. This is done by observing that use of the usual periodic conditions is equivalent to the study of a certain supermolecular liquid, in which a supermolecule is a polyatomic molecule of infinite extent composed of one of the physical particles in the system plus all its periodic images. For this supermolecular system in the grand ensemble, all the cluster expansion techniques used in the study of real molecular liquids are directly applicable. As expected, particle correlations are translationally uniform, but explicitly anisotropic. When the intermolecular potential energy functions are of short enough range, or cut off, so that the minimum image method is used, evaluation of the cluster integrals is dramatically simplified. In this circumstance, a large and important class of cluster expansion contributions can be summed exactly, and expressed in terms of the correlation functions which result when the system size is allowed to increase without bound. This result yields a simple and useful approximation to the corrections to the particle correlations due to the use of periodic boundary conditions with finite systems. Numerical application of these results are reported in the following paper

  1. Risk analysis of gravity dam instability using credibility theory Monte Carlo simulation model.

    Science.gov (United States)

    Xin, Cao; Chongshi, Gu

    2016-01-01

    Risk analysis of gravity dam stability involves complicated uncertainty in many design parameters and measured data. Stability failure risk ratio described jointly by probability and possibility has deficiency in characterization of influence of fuzzy factors and representation of the likelihood of risk occurrence in practical engineering. In this article, credibility theory is applied into stability failure risk analysis of gravity dam. Stability of gravity dam is viewed as a hybrid event considering both fuzziness and randomness of failure criterion, design parameters and measured data. Credibility distribution function is conducted as a novel way to represent uncertainty of influence factors of gravity dam stability. And combining with Monte Carlo simulation, corresponding calculation method and procedure are proposed. Based on a dam section, a detailed application of the modeling approach on risk calculation of both dam foundation and double sliding surfaces is provided. The results show that, the present method is feasible to be applied on analysis of stability failure risk for gravity dams. The risk assessment obtained can reflect influence of both sorts of uncertainty, and is suitable as an index value.

  2. Acetate and phosphate anion adsorption linear sweep voltammograms simulated using density functional theory

    KAUST Repository

    Savizi, Iman Shahidi Pour

    2011-04-01

    Specific adsorption of anions to electrode surfaces may alter the rates of electrocatalytic reactions. Density functional theory (DFT) methods are used to predict the adsorption free energy of acetate and phosphate anions as a function of Pt(1 1 1) electrode potential. Four models of the electrode potential are used including a simple vacuum slab model, an applied electric field model with and without the inclusion of a solvating water bi-layer, and the double reference model. The linear sweep voltammogram (LSV) due to anion adsorption is simulated using the DFT results. The inclusion of solvation at the electrochemical interface is necessary for accurately predicting the adsorption peak position. The Langmuir model is sufficient for predicting the adsorption peak shape, indicating coverage effects are minor in altering the LSV for acetate and phosphate adsorption. Anion adsorption peak positions are determined for solution phase anion concentrations present in microbial fuel cells and microbial electrolysis cells and discussion is provided as to the impact of anion adsorption on oxygen reduction and hydrogen evolution reaction rates in these devices. © 2011 Elsevier Ltd. All rights reserved.

  3. 360⁰ -View of Quantum Theory and Ab Initio Simulation at Extreme Conditions: 2014 Sanibel Symposium

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Hai-Ping [Univ. of Florida, Gainesville, FL (United States)

    2016-09-02

    The Sanibel Symposium 2014 was held February 16-21, 2014, at the King and Prince, St. Simons Island, GA. It was successful in bringing condensed-matter physicists and quantum chemists together productively to drive the emergence of those specialties. The Symposium had a significant role in preparing a whole generation of quantum theorists. The 54th Sanibel meeting looked to the future in two ways. We had 360⁰-View sessions to honor the exceptional contributions of Rodney Bartlett (70), Bill Butler (70), Yngve Öhrn (80), Fritz Schaefer (70), and Malcolm Stocks (70). The work of these five has greatly impacted several generations of quantum chemists and condensed matter physicists. The “360⁰” is the sum of their ages. More significantly, it symbolizes a panoramic view of critical developments and accomplishments in theoretical and computational chemistry and physics oriented toward the future. Thus, two of the eight 360⁰-View sessions focused specifically on younger scientists. The 360⁰-View program was the major component of the 2014 Sanibel meeting. Another four sessions included a sub-symposium on ab initio Simulations at Extreme Conditions, with focus on getting past the barriers of present-day Born-Oppenheimer molecular dynamics by advances in finite-temperature density functional theory, orbital-free DFT, and new all-numerical approaches.

  4. 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.

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

    Science.gov (United States)

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

    2017-08-22

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

  6. Simulation of X-ray absorption spectra with orthogonality constrained density functional theory.

    Science.gov (United States)

    Derricotte, Wallace D; Evangelista, Francesco A

    2015-06-14

    Orthogonality constrained density functional theory (OCDFT) [F. A. Evangelista, P. Shushkov and J. C. Tully, J. Phys. Chem. A, 2013, 117, 7378] is a variational time-independent approach for the computation of electronic excited states. In this work we extend OCDFT to compute core-excited states and generalize the original formalism to determine multiple excited states. Benchmark computations on a set of 13 small molecules and 40 excited states show that unshifted OCDFT/B3LYP excitation energies have a mean absolute error of 1.0 eV. Contrary to time-dependent DFT, OCDFT excitation energies for first- and second-row elements are computed with near-uniform accuracy. OCDFT core excitation energies are insensitive to the choice of the functional and the amount of Hartree-Fock exchange. We show that OCDFT is a powerful tool for the assignment of X-ray absorption spectra of large molecules by simulating the gas-phase near-edge spectrum of adenine and thymine.

  7. Superconductivity in an Inhomogeneous Bundle of Metallic and Semiconducting Nanotubes

    Directory of Open Access Journals (Sweden)

    Ilya Grigorenko

    2013-01-01

    Full Text Available Using Bogoliubov-de Gennes formalism for inhomogeneous systems, we have studied superconducting properties of a bundle of packed carbon nanotubes, making a triangular lattice in the bundle's transverse cross-section. The bundle consists of a mixture of metallic and doped semiconducting nanotubes, which have different critical transition temperatures. We investigate how a spatially averaged superconducting order parameter and the critical transition temperature depend on the fraction of the doped semiconducting carbon nanotubes in the bundle. Our simulations suggest that the superconductivity in the bundle will be suppressed when the fraction of the doped semiconducting carbon nanotubes will be less than 0.5, which is the percolation threshold for a two-dimensional triangular lattice.

  8. QCD under extreme conditions. Inhomogeneous condensation

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, Achim

    2014-10-15

    Almost 40 years after the first publication on the phase diagram of quantum chromodynamics (QCD) big progress has been made but many questions are still open. This work covers several aspects of low-energy QCD and introduces advanced methods to calculate selected parts of the QCD phase diagram. Spontaneous chiral symmetry breaking as well as its restoration is a major aspect of QCD. Two effective models, the Nambu-Jona-Lasinio (NJL) model and the linear σ-model, are widely used to describe the QCD chiral phase transition. We study the large-N{sub c} behavior of the critical temperature T{sub c} for chiral symmetry restoration in the framework of both models. While in the NJL model T{sub c} is independent of N{sub c} (and in agreement with the expected QCD scaling), the scaling behavior in the linear σ-model reads T{sub c} ∝ N{sup 1/2}{sub c}. However, this mismatch can be corrected: phenomenologically motivated temperature-dependent parameters or the extension with the Polyakov-loop renders the scaling in the linear σ-model compatible with the QCD scaling. The requirement that the chiral condensate which is the order parameter of the chiral symmetry is constant in space is too restrictive. Recent studies on inhomogeneous chiral condensation in cold, dense quark matter suggest a rich crystalline structure. These studies feature models with quark degrees of freedom. In this thesis we investigate the formation of the chiral density wave (CDW) in the framework of the so-called extended linear sigma model (eLSM) at high densities and zero temperature. The eLSM is a modern development of the linear σ-model which contains scalar, pseudoscalar, vector, as well as axial-vector mesons, and in addition, a light tetraquark state. The nucleon and its chiral partner are introduced as parity doublets in the mirror assignment. The model describes successfully the vacuum phenomenology and nuclear matter ground-state properties. As a result we find that an inhomogeneous phase

  9. Real-time simulation of electric motors. Applying software and control theory; Echtzeit-Simulation von E-Maschinen. Regelungstechnik im Hybridantrieb

    Energy Technology Data Exchange (ETDEWEB)

    Werner, Joerg; Tauber, Hermann [Silver-Atena, Muenchen (Germany)

    2010-02-15

    Developments in the electric drive-train have the highest priority, but all the same proven development methods are not consequently applied. For example the simulation of the hybrid drive-train excludes the e-motor and its system environment such as the corresponding controllers. ''Too complex and too much effort'', is the justification. Silver-Atena produces a proof of the contrary and achieves with a real-time simulation of an electric machine using the Hardware-in-the-loop technique more precise system verifications. Despite the undoubtedly high complexity Software- and Control-Theory engineers can thus work more efficiently. (orig.)

  10. Optical Modeling of Sea Salt Aerosols: The Effects of Nonsphericity and Inhomogeneity

    Science.gov (United States)

    Bi, Lei; Lin, Wushao; Wang, Zheng; Tang, Xiaoyun; Zhang, Xiaoyu; Yi, Bingqi

    2018-01-01

    The nonsphericity and inhomogeneity of marine aerosols (sea salts) have not been addressed in pertinent radiative transfer calculations and remote sensing studies. This study investigates the optical properties of nonspherical and inhomogeneous sea salts using invariant imbedding T-matrix simulations. Dry sea salt aerosols are modeled based on superellipsoidal geometries with a prescribed aspect ratio and roundness parameter. Wet sea salt particles are modeled as coated superellipsoids, as spherical particles with a superellipsoidal core, and as homogeneous spheres depending on the level of relative humidity. Aspect ratio and roundness parameters are found to be critical to interpreting the linear depolarization ratios (LDRs) of NaCl crystals from laboratory measurements. The optimal morphology parameters of NaCl necessary to reproduce the measurements are found to be consistent with data gleaned from an electron micrograph. The LDRs of wet sea salts are computed based on inhomogeneous models and compared with the measured data from ground-based LiDAR. The dependence of the LDR on relative humidity is explicitly considered. The increase in the LDR with relative humidity at the initial phase of deliquescence is attributed to both the size increase and the inhomogeneity effect. For large humidity values, the LDR substantially decreases because the overall particle shape becomes more spherical and the inhomogeneity effect in a particle on the LDR is suppressed for submicron sea salts. However, the effect of inhomogeneity on optical properties is pronounced for coarse-mode sea salts. These findings have important implications for atmospheric radiative transfer and remote sensing involving sea salt aerosols.

  11. Theory and simulation of ion acceleration with circularly polarized laser pulses; Theorie et simulation de l'acceleration des ions par impulsions laser a polarisation circulaire

    Energy Technology Data Exchange (ETDEWEB)

    Macchi, A. [CNR/INFM/polyLAB, Pisa (Italy); Macchi, A.; Tuveri, S.; Veghini, S. [Pisa Univ., Dept. of Physics E. Fermi (Italy); Liseikina, T.V. [Max Planck Institute for Nuclear Physics, Heidelberg (Germany)

    2009-03-15

    Ion acceleration driven by the radiation pressure of circularly polarized pulses is investigated via analytical modeling and particle-in-cell simulations. Both thick and thin targets, i.e. the 'hole boring' and 'light sail' regimes are considered. Parametric studies in one spatial dimension are used to determine the optimal thickness of thin targets and to address the effects of preformed plasma profiles and laser pulse ellipticity in thick targets. Three-dimensional (3D) simulations show that 'flat-top' radial profiles of the intensity are required to prevent early laser pulse breakthrough in thin targets. The 3D simulations are also used to address the issue of the conservation of the angular momentum of the laser pulse and its absorption in the plasma. (authors)

  12. Entanglement hamiltonian and entanglement contour in inhomogeneous 1D critical systems

    Science.gov (United States)

    Tonni, Erik; Rodríguez-Laguna, Javier; Sierra, Germán

    2018-04-01

    Inhomogeneous quantum critical systems in one spatial dimension have been studied by using conformal field theory in static curved backgrounds. Two interesting examples are the free fermion gas in the harmonic trap and the inhomogeneous XX spin chain called rainbow chain. For conformal field theories defined on static curved spacetimes characterised by a metric which is Weyl equivalent to the flat metric, with the Weyl factor depending only on the spatial coordinate, we study the entanglement hamiltonian and the entanglement spectrum of an interval adjacent to the boundary of a segment where the same boundary condition is imposed at the endpoints. A contour function for the entanglement entropies corresponding to this configuration is also considered, being closely related to the entanglement hamiltonian. The analytic expressions obtained by considering the curved spacetime which characterises the rainbow model have been checked against numerical data for the rainbow chain, finding an excellent agreement.

  13. Load theory behind the wheel: an experimental application of a cognitive model to simulated driving

    OpenAIRE

    Murphy, Gillian

    2017-01-01

    Load Theory is a prominent model of selective attention first proposed over twenty years ago. Load Theory is supported by a great many experimental and neuroimaging studies. There is however, little evidence that Load Theory can be applied to real world attention, though it has great practical potential. Driving, as an everyday task where failures of attention can have profound consequences, stands to benefit from the understanding of selective attention that Load Theory provides. The aim of ...

  14. Initial conditions for cosmological N-body simulations of the scalar sector of theories of Newtonian, Relativistic and Modified Gravity

    International Nuclear Information System (INIS)

    Valkenburg, Wessel; Hu, Bin

    2015-01-01

    We present a description for setting initial particle displacements and field values for simulations of arbitrary metric theories of gravity, for perfect and imperfect fluids with arbitrary characteristics. We extend the Zel'dovich Approximation to nontrivial theories of gravity, and show how scale dependence implies curved particle paths, even in the entirely linear regime of perturbations. For a viable choice of Effective Field Theory of Modified Gravity, initial conditions set at high redshifts are affected at the level of up to 5% at Mpc scales, which exemplifies the importance of going beyond Λ-Cold Dark Matter initial conditions for modifications of gravity outside of the quasi-static approximation. In addition, we show initial conditions for a simulation where a scalar modification of gravity is modelled in a Lagrangian particle-like description. Our description paves the way for simulations and mock galaxy catalogs under theories of gravity beyond the standard model, crucial for progress towards precision tests of gravity and cosmology

  15. The point ground electrode in vicinity of the semi-spherical inhomogenity

    Directory of Open Access Journals (Sweden)

    Cvetković Nenad N.

    2005-01-01

    Full Text Available Characterization of the point ground electrode placed in the surroundings or inside of the semi-spherical earth inhomogenity and fed by low frequency (LF current using isolated earthling conductor, is presented in this paper. The ground impedance (resistance and reactance and potential distribution on the ground surface are determined. Image theory for two-layer semi conducting media, as well as for the one point electrode placed nearby or inside of the spherical body is used during the analysis.

  16. Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-sphere discrete element method simulations

    Science.gov (United States)

    Vescovi, D.; Berzi, D.; Richard, P.; Brodu, N.

    2014-05-01

    We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature.

  17. Plane shear flows of frictionless spheres: Kinetic theory and 3D soft-sphere discrete element method simulations

    International Nuclear Information System (INIS)

    Vescovi, D.; Berzi, D.; Richard, P.; Brodu, N.

    2014-01-01

    We use existing 3D Discrete Element simulations of simple shear flows of spheres to evaluate the radial distribution function at contact that enables kinetic theory to correctly predict the pressure and the shear stress, for different values of the collisional coefficient of restitution. Then, we perform 3D Discrete Element simulations of plane flows of frictionless, inelastic spheres, sheared between walls made bumpy by gluing particles in a regular array, at fixed average volume fraction and distance between the walls. The results of the numerical simulations are used to derive boundary conditions appropriated in the cases of large and small bumpiness. Those boundary conditions are, then, employed to numerically integrate the differential equations of Extended Kinetic Theory, where the breaking of the molecular chaos assumption at volume fraction larger than 0.49 is taken into account in the expression of the dissipation rate. We show that the Extended Kinetic Theory is in very good agreement with the numerical simulations, even for coefficients of restitution as low as 0.50. When the bumpiness is increased, we observe that some of the flowing particles are stuck in the gaps between the wall spheres. As a consequence, the walls are more dissipative than expected, and the flows resemble simple shear flows, i.e., flows of rather constant volume fraction and granular temperature

  18. Spectroscopy and Raman imaging of inhomogeneous materials

    International Nuclear Information System (INIS)

    Maslova, Olga

    2014-01-01

    This thesis is aimed at developing methodologies in Raman spectroscopy and imaging. After reviewing the statistical instruments which allow treating giant amount of data (multivariate analysis and classification), the study is applied to two families of well-known materials which are used as models for testing the limits of the implemented developments. The first family is a series of carbon materials pyrolyzed at various temperatures and exhibiting inhomogeneities at a nm scale which is suitable for Raman-X-ray diffraction combination. Another results concern the polishing effect on carbon structure. Since it is found to induce Raman artifacts leading to the overestimation of the local structural disorder, a method based on the use of the G band width is therefore proposed in order to evaluate the crystallite size in both unpolished and polished nano-graphites. The second class of materials presents inhomogeneities at higher (micrometric) scales by the example of uranium dioxide ceramics. Being well adapted in terms of spatial scale, Raman imaging is thus used for probing their surfaces. Data processing is implemented via an approach combining the multivariate (principal component) analysis and the classical fitting procedure with Lorentzian profiles. The interpretation of results is supported via electron backscattering diffraction (EBSD) analysis which enables us to distinguish the orientation effects of ceramic grains from other underlying contributions. The last ones are mainly localized at the grain boundaries, that is testified by the appearance of a specific Raman mode. Their origin seems to be caused by stoichiometric oxygen variations or impurities, as well as strain inhomogeneities. The perspectives of this work include both the implementation of other mathematical methods and in-depth analysis of UO 2 structure damaged by irradiation (anisotropic effects, role of grain boundaries). (author) [fr

  19. Program package for multicanonical simulations of U(1) lattice gauge theory-Second version

    Science.gov (United States)

    Bazavov, Alexei; Berg, Bernd A.

    2013-03-01

    A new version STMCMUCA_V1_1 of our program package is available. It eliminates compatibility problems of our Fortran 77 code, originally developed for the g77 compiler, with Fortran 90 and 95 compilers. New version program summaryProgram title: STMC_U1MUCA_v1_1 Catalogue identifier: AEET_v1_1 Licensing provisions: Standard CPC license, http://cpc.cs.qub.ac.uk/licence/licence.html Programming language: Fortran 77 compatible with Fortran 90 and 95 Computers: Any capable of compiling and executing Fortran code Operating systems: Any capable of compiling and executing Fortran code RAM: 10 MB and up depending on lattice size used No. of lines in distributed program, including test data, etc.: 15059 No. of bytes in distributed program, including test data, etc.: 215733 Keywords: Markov chain Monte Carlo, multicanonical, Wang-Landau recursion, Fortran, lattice gauge theory, U(1) gauge group, phase transitions of continuous systems Classification: 11.5 Catalogue identifier of previous version: AEET_v1_0 Journal Reference of previous version: Computer Physics Communications 180 (2009) 2339-2347 Does the new version supersede the previous version?: Yes Nature of problem: Efficient Markov chain Monte Carlo simulation of U(1) lattice gauge theory (or other continuous systems) close to its phase transition. Measurements and analysis of the action per plaquette, the specific heat, Polyakov loops and their structure factors. Solution method: Multicanonical simulations with an initial Wang-Landau recursion to determine suitable weight factors. Reweighting to physical values using logarithmic coding and calculating jackknife error bars. Reasons for the new version: The previous version was developed for the g77 compiler Fortran 77 version. Compiler errors were encountered with Fortran 90 and Fortran 95 compilers (specified below). Summary of revisions: epsilon=one/10**10 is replaced by epsilon/10.0D10 in the parameter statements of the subroutines u1_bmha.f, u1_mucabmha.f, u1wl

  20. Curvaton and the inhomogeneous end of inflation

    International Nuclear Information System (INIS)

    Assadullahi, Hooshyar; Wands, David; Firouzjahi, Hassan; Namjoo, Mohammad Hossein

    2012-01-01

    We study the primordial density perturbations and non-Gaussianities generated from the combined effects of an inhomogeneous end of inflation and curvaton decay in hybrid inflation. This dual role is played by a single isocurvature field which is massless during inflation but acquire a mass at the end of inflation via the waterfall phase transition. We calculate the resulting primordial non-Gaussianity characterized by the non-linearity parameter, f NL , recovering the usual end-of-inflation result when the field decays promptly and the usual curvaton result if the field decays sufficiently late