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Sample records for inhomogeneities simulations theory

  1. Collective dynamics of an inhomogeneous two-channel exclusion process: Theory and Monte Carlo simulations

    CERN Document Server

    Dhiman, Isha

    2015-01-01

    This work is devoted to the development of a novel theoretical approach, named hybrid approach, to handle a localized bottleneck in a symmetrically coupled two-channel totally asymmetric simple exclusion process with Langmuir kinetics. The hybrid approach is combined with singular perturbation technique to get steady-state phase diagrams and density profiles. We have thoroughly examined the role played by the strength of bottleneck, binding constant and lane-changing rate in the system dynamics. The appearances of bottleneck-induced shock, a bottleneck phase and Meissner phase are explained. Further, the critical values of bottleneck rate are identified, which signify the changes in the topology of phase diagram. It is also found that increase in lane-changing rate as well as unequal attachment, detachment rates weaken the bottleneck effect. Our theoretical arguments are in good agreement with extensively performed Monte Carlo simulations.

  2. Network theory for inhomogeneous thermoelectrics

    Science.gov (United States)

    Angst, Sebastian; Wolf, Dietrich E.

    2016-04-01

    The Onsager-de Groot-Callen transport theory, implemented as a network model, is used to simulate the transient Harman method, which is widely used experimentally to determine all thermoelectric transport coefficients in a single measurement setup. It is shown that this method systematically overestimates the Seebeck coefficient for samples composed of two different materials. As a consequence, the figure of merit is also overestimated, if the thermal coupling of the measurement setup to the environment is weak. For a mixture of metal and semiconductor particles near metal percolation the figure of merit obtained by the Harman method is more than 100% too large. For a correct interpretation of the experimental data, information on composition and microstructure of the sample are indispensable.

  3. Inhomogeneous field theory inside the arctic circle

    Science.gov (United States)

    Allegra, Nicolas; Dubail, Jérôme; Stéphan, Jean-Marie; Viti, Jacopo

    2016-05-01

    Motivated by quantum quenches in spin chains, a one-dimensional toy-model of fermionic particles evolving in imaginary-time from a domain-wall initial state is solved. The main interest of this toy-model is that it exhibits the arctic circle phenomenon, namely a spatial phase separation between a critically fluctuating region and a frozen region. Large-scale correlations inside the critical region are expressed in terms of correlators in a (euclidean) two-dimensional massless Dirac field theory. It is observed that this theory is inhomogenous: the metric is position-dependent, so it is in fact a Dirac theory in curved space. The technique used to solve the toy-model is then extended to deal with the transfer matrices of other models: dimers on the honeycomb and square lattice, and the six-vertex model at the free fermion point (Δ =0 ). In all cases, explicit expressions are given for the long-range correlations in the critical region, as well as for the underlying Dirac action. Although the setup developed here is heavily based on fermionic observables, the results can be translated into the language of height configurations and of the gaussian free field, via bosonization. Correlations close to the phase boundary and the generic appearance of Airy processes in all these models are also briefly revisited in the appendix.

  4. Modified interfacial statistical associating fluid theory: a perturbation density functional theory for inhomogeneous complex fluids.

    Science.gov (United States)

    Jain, Shekhar; Dominik, Aleksandra; Chapman, Walter G

    2007-12-28

    A density functional theory based on Wertheim's first order perturbation theory is developed for inhomogeneous complex fluids. The theory is derived along similar lines as interfacial statistical associating fluid theory [S. Tripathi and W. G. Chapman, J. Chem. Phys. 122, 094506 (2005)]. However, the derivation is more general and applies broadly to a range of systems, retaining the simplicity of a segment density based theory. Furthermore, the theory gives the exact density profile for ideal chains in an external field. The general avail of the theory has been demonstrated by applying the theory to lipids near surfaces, lipid bilayers, and copolymer thin films. The theoretical results show excellent agreement with the results from molecular simulations.

  5. Statistical field theory description of inhomogeneous polarizable soft matter

    Science.gov (United States)

    Martin, Jonathan M.; Li, Wei; Delaney, Kris T.; Fredrickson, Glenn H.

    2016-10-01

    We present a new molecularly informed statistical field theory model of inhomogeneous polarizable soft matter. The model is based on fluid elements, referred to as beads, that can carry a net monopole of charge at their center of mass and a fixed or induced dipole through a Drude-type distributed charge approach. The beads are thus polarizable and naturally manifest attractive van der Waals interactions. Beyond electrostatic interactions, beads can be given soft repulsions to sustain fluid phases at arbitrary densities. Beads of different types can be mixed or linked into polymers with arbitrary chain models and sequences of charged and uncharged beads. By such an approach, it is possible to construct models suitable for describing a vast range of soft-matter systems including electrolyte and polyelectrolyte solutions, ionic liquids, polymerized ionic liquids, polymer blends, ionomers, and block copolymers, among others. These bead models can be constructed in virtually any ensemble and converted to complex-valued statistical field theories by Hubbard-Stratonovich transforms. One of the fields entering the resulting theories is a fluctuating electrostatic potential; other fields are necessary to decouple non-electrostatic interactions. We elucidate the structure of these field theories, their consistency with macroscopic electrostatic theory in the absence and presence of external electric fields, and the way in which they embed van der Waals interactions and non-uniform dielectric properties. Their suitability as a framework for computational studies of heterogeneous soft matter systems using field-theoretic simulation techniques is discussed.

  6. Theory of Thomson scattering in inhomogeneous media

    CERN Document Server

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

    2016-01-01

    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 partic- ularly 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 even lead to violations of detailed balance. Therefore, careful interpretation of the spectra is necessary for spatially or temporally inhomogeneous ...

  7. 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.

    2016-04-01

    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.

  8. Long Range Corrections for Inhomogeneous Simulations of Mie n-m Potential.

    Science.gov (United States)

    Janeček, Jiří; Said-Aizpuru, Olivier; Paricaud, Patrice

    2017-09-12

    The long-range correction scheme for dispersion interactions in inhomogeneous simulations is generalized to Mie n-m potential. The influence of the cutoff distance and lateral dimensions of the simulation box are studied for 8-6, 12-6, and 20-6 Mie fluids at two different temperatures (close and far from the critical point). For sufficiently large systems (2400 particles, Rc = 3.5σ) equilibrium properties are simulated over the whole vapor-liquid coexistence using the inhomogeneous Monte Carlo simulations, and the results are compared with the Gibbs Ensemble technique and with the square gradient theory combined with the SAFT Mie equation of state.

  9. Inhomogeneous Monte Carlo simulations of dermoscopic spectroscopy

    Science.gov (United States)

    Gareau, Daniel S.; Li, Ting; Jacques, Steven; Krueger, James

    2012-03-01

    Clinical skin-lesion diagnosis uses dermoscopy: 10X epiluminescence microscopy. Skin appearance ranges from black to white with shades of blue, red, gray and orange. Color is an important diagnostic criteria for diseases including melanoma. Melanin and blood content and distribution impact the diffuse spectral remittance (300-1000nm). Skin layers: immersion medium, stratum corneum, spinous epidermis, basal epidermis and dermis as well as laterally asymmetric features (eg. melanocytic invasion) were modeled in an inhomogeneous Monte Carlo model.

  10. The equilibrium theory of inhomogeneous polymers

    CERN Document Server

    Fredrickson, Glenn Harold

    2006-01-01

    This work provides a pedagogical introduction to the theoretical and computer simulation techniques that are useful in the design of polymer formulations including personal care products, multiphase plastic materials and processed foods.

  11. Density functional theory for inhomogeneous associating chain fluids.

    Science.gov (United States)

    Bryk, P; Sokołowski, S; Pizio, O

    2006-07-14

    We propose a nonlocal density functional theory for associating chain molecules. The chains are modeled as tangent spheres, which interact via Lennard-Jones (12,6) attractive interactions. A selected segment contains additional, short-ranged, highly directional interaction sites. The theory incorporates an accurate treatment of the chain molecules via the intramolecular potential formalism and should accurately describe systems with strongly varying external fields, e.g., attractive walls. Within our approach we investigate the structure of the liquid-vapor interface and capillary condensation of a simple model of associating chains with only one associating site placed on the first segment. In general, the properties of inhomogeneous associating chains depend on the association energy. Similar to the bulk systems we find the behavior of associating chains of a given length to be in between that for the nonassociating chains of the same length and that for the nonassociating chains twice as large.

  12. Particle-in-cell simulations of the relaxation of electron beams in inhomogeneous solar wind plasmas

    Science.gov (United States)

    Thurgood, Jonathan O.; Tsiklauri, David

    2016-12-01

    Previous theoretical considerations of electron beam relaxation in inhomogeneous plasmas have indicated that the effects of the irregular solar wind may account for the poor agreement of homogeneous modelling with the observations. Quasi-linear theory and Hamiltonian models based on Zakharov's equations have indicated that when the level of density fluctuations is above a given threshold, density irregularities act to de-resonate the beam-plasma interaction, restricting Langmuir wave growth on the expense of beam energy. This work presents the first fully kinetic particle-in-cell (PIC) simulations of beam relaxation under the influence of density irregularities. We aim to independently determine the influence of background inhomogeneity on the beam-plasma system, and to test theoretical predictions and alternative models using a fully kinetic treatment. We carry out one-dimensional (1-D) PIC simulations of a bump-on-tail unstable electron beam in the presence of increasing levels of background inhomogeneity using the fully electromagnetic, relativistic EPOCH PIC code. We find that in the case of homogeneous background plasma density, Langmuir wave packets are generated at the resonant condition and then quasi-linear relaxation leads to a dynamic increase of wavenumbers generated. No electron acceleration is seen - unlike in the inhomogeneous experiments, all of which produce high-energy electrons. For the inhomogeneous experiments we also observe the generation of backwards-propagating Langmuir waves, which is shown directly to be due to the refraction of the packets off the density gradients. In the case of higher-amplitude density fluctuations, similar features to the weaker cases are found, but also packets can also deviate from the expected dispersion curve in -space due to nonlinearity. Our fully kinetic PIC simulations broadly confirm the findings of quasi-linear theory and the Hamiltonian model based on Zakharov's equations. Strong density fluctuations

  13. Novel simulation method for fiber Bragg grating under inhomogeneous strain fields

    Institute of Scientific and Technical Information of China (English)

    YUN Bin-feng; LU Chang-gui; WANG Zhu-yuan; WANG Yi-ping; CUI Yi-ping

    2005-01-01

    The spectra of fiber Bragg grating (FBG) in inhomogeneous strain fields are distorted due to its inhomogeneity of both the periods and the effective refractive index. The couple mode theory and the Runge-Kutta method can be employed for exact simulation of the spectrum of Bragg grating in such field, but the convergence speed is slow. On the other hand, although the transfer matrix method could be used with higher convergence speed, the precision is poor because of the neglect of the grads of strain change. By improving the FBG equivalent period, a novel simulation method based on a modified transfer matrix method is proposed, which has the advantage of quick-convergence as well as good accuracy.

  14. Some Plane Symmetric Inhomogeneous Cosmological Models in the Scalar-Tensor Theory of Gravitation

    CERN Document Server

    Ali, Ahmad T; Mahmoud, S R

    2014-01-01

    The present study deals with the inhomogeneous plane symmetric models in scalar - tensor theory of gravitation. We used symmetry group analysis method to solve the field equations analytically. A new class of similarity solutions have been obtained by considering the inhomogeneous nature of metric potential. The physical behavior and geometrical aspects of the derived models are also discussed.

  15. Hydrodynamic self-consistent field theory for inhomogeneous polymer melts.

    Science.gov (United States)

    Hall, David M; Lookman, Turab; Fredrickson, Glenn H; Banerjee, Sanjoy

    2006-09-15

    We introduce a mesoscale technique for simulating the structure and rheology of block-copolymer melts and blends in hydrodynamic flows. The technique couples dynamic self-consistent field theory with continuum hydrodynamics and flow penalization to simulate polymeric fluid flows in channels of arbitrary geometry. We demonstrate the method by studying phase separation of an ABC triblock copolymer melt in a submicron channel with neutral wall wetting conditions. We find that surface wetting effects and shear effects compete, producing wall-perpendicular lamellae in the absence of flow and wall-parallel lamellae in cases where the shear rate exceeds some critical Weissenberg number.

  16. 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...

  17. Simulation of gas diffusion through inhomogeneous layered snow and firn

    Science.gov (United States)

    Whelsky, A. N.; Albert, M. R.

    2014-12-01

    Diffusion of gases through snow and firn is important for air-snow transfer in temperate regions and decoding ice core climate records from the polar regions. The diffusion process depends on a number of factors, including temperature and chemical concentration gradients, layering and pore structure of the snow and firn, and fractionation of gases. Assessing the potential impact of layering on of gases through the firn column over time is crucial for understanding the natural archive of past atmospheric composition. Existing 1-D firn air models include gravitational settling and thermal diffusion in order to explain seasonal anomalies found in firn-air measurements but have not considered the possibility of inhomogeneous firn structure and layering effects in time-varying simulations. This work presents development, testing, and use of a multidimensional numerical diffusion model for investigating impacts of spatial heterogeneity of firn layering over time, in addition to thermal and gravitational effects on gas diffusion in firn. The model is verified using existing data. Results of numerical experiments are presented that show impacts of varying the spatial structure of firn on the magnitude of the impact on gas profiles in firn. Comparison of numerical results with published firn air field studies will be discussed.

  18. Glauber theory and the quantum coherence of curvature inhomogeneities

    CERN Document Server

    Giovannini, Massimo

    2016-01-01

    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.

  19. Glauber theory and the quantum coherence of curvature inhomogeneities

    Science.gov (United States)

    Giovannini, Massimo

    2017-02-01

    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.

  20. Theory of experimental location of ionospheric inhomogeneities at medium latitudes by satellite radioholography

    Energy Technology Data Exchange (ETDEWEB)

    Dubovoi, A.P.; Sinelnikov, V.M.

    1980-08-01

    A theory is developed for a quasiholographic experiment which uses a differential-phase signal derived from radio signals transmitted at two coherent frequencies to obtain information on ionospheric inhomogeneities in a plane connecting the ground station and a part of the satellite orbit. The method makes it possible to determine the size and location of small-scale inhomogeneities with a radius of 100-500 m from ground-based measurements of spaced satellite signals transmitted at sufficiently high coherent frequencies.

  1. Functional integral approach to the kinetic theory of inhomogeneous systems

    Science.gov (United States)

    Fouvry, Jean-Baptiste; Chavanis, Pierre-Henri; Pichon, Christophe

    2016-10-01

    We present a derivation of the kinetic equation describing the secular evolution of spatially inhomogeneous systems with long-range interactions, the so-called inhomogeneous Landau equation, by relying on a functional integral formalism. We start from the BBGKY hierarchy derived from the Liouville equation. At the order 1 / N, where N is the number of particles, the evolution of the system is characterised by its 1-body distribution function and its 2-body correlation function. Introducing associated auxiliary fields, the evolution of these quantities may be rewritten as a traditional functional integral. By functionally integrating over the 2-body autocorrelation, one obtains a new constraint connecting the 1-body DF and the auxiliary fields. When inverted, this constraint allows us to obtain the closed non-linear kinetic equation satisfied by the 1-body distribution function. This derivation provides an alternative to previous methods, either based on the direct resolution of the truncated BBGKY hierarchy or on the Klimontovich equation. It may turn out to be fruitful to derive more accurate kinetic equations, e.g., accounting for collective effects, or higher order correlation terms.

  2. Theory of Radio Propagation in Inhomogeneous Media (The Eikonal Method)

    CERN Document Server

    Bianchi, S; Settimi, A

    2010-01-01

    The Istituto Nazionale di Geofisica e Vulcanologia has been involved since its foundation in the forecast of the conditions in which a radio link that makes use of propagation by means of ionospheric wave takes place. In the last times it gained interest also the precise forecast of the trajectory covered by a radio wave propagating into the atmosphere, specifically into the ionosphere, which can be considered, at first approximation, as an inhomogeneous medium, defined by a refraction index slowly varying in time. This work describes the theoretical bases to study a trajectory; they substantially make use of the methods of the geometrical optics. Such theoretical bases find applications in numerical methods to calculate the trajectories, as quoted in references [Bianchi, 2009].

  3. Theory of Homogeneous and Inhomogeneous Insulating and Conducting Liquids

    Science.gov (United States)

    Foiles, Stephen Martin

    This work addresses various aspects of the static structure and thermodynamics of simple classical liquids. The derivation of the pair potential model Hamiltonian for liquids is presented for both insulating and simple metallic systems including a generalization to non-uniform systems. Hard sphere perturbation theory is a useful technique to study this model. However, its application to mixtures is generally a numerically time-consuming problem. Here a computationally simple yet reasonably accurate method is described which relies on a judicious choice of a form for the pair interactions along with the use of the Percus-Yevick structure functions for the hard sphere system. The structure of liquids can also be determined from integral equations which are derived here by the functional Taylor expansion method. The predictions of the hypernetted chain equation for the critical point of the fluid are studied and are found to be in serious disagreement with the known power law behavior. The modified hypernetted chain equation (MHNC) approximately incorporates the contributions of the bridge diagram. Two models for the bridge function are considered and found to yield excellent predictions for the structure and thermodynamics. First principles criteria for the parameters in these models are developed. Finally, these models are extended to allow for the computation of large distance values of the correlation functions from knowledge only of the short distance values obtained from simulations. The description of non-uniform insulating liquids by density functional techniques is described and compared with the predictions of capillary wave theories. Further, the structure of a vapor-solid contact is studied using the non-uniform MHNC equation with a local density description of the bridge function. The presence of long-ranged correlations in these systems is predicted. A simple, approximate, first principles treatment of the pair potential model for liquid metal surfaces

  4. 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

  5. Theory Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Shlachter, Jack [Los Alamos National Laboratory

    2012-08-23

    Los Alamos has a long history in theory, modeling and simulation. We focus on multidisciplinary teams that tackle complex problems. Theory, modeling and simulation are tools to solve problems just like an NMR spectrometer, a gas chromatograph or an electron microscope. Problems should be used to define the theoretical tools needed and not the other way around. Best results occur when theory and experiments are working together in a team.

  6. 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...... response of complex metallic nanostructures, including quantum effects, by adjusting theory parameters appropriately....... 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...

  7. Simulation of inhomogeneous, non-stationary and non-Gaussian turbulent winds

    DEFF Research Database (Denmark)

    Hansen, Kurt Schaldemose

    2007-01-01

    Turbulence time series are needed for wind turbine load simulation. The multivariate Fourier simulation method often used for this purpose is extended for inhomogeneous and non-stationary processes of general probability distribution. This includes optional conditional simulation matching simulated...... series to field measurements at selected points. A probability model for the application of turbine wind loads is discussed, and finally the technique for non-stationary processes is illustrated by turbulence simulation during a front passage....

  8. Dynamic self-consistent field theory of inhomogeneous complex fluids under shear

    Science.gov (United States)

    Mihajlovic, Maja Lazar

    Understanding and predicting the interplay between morphology and rheology of sheared, inhomogeneous, complex fluids is of great importance. Yet the modeling of such phenomena is in its infancy. We have developed a novel dynamic self-consistent field (DSCF) theory that makes possible a detailed computational study of such phenomena. Our DSCF theory couples the time evolution of chain conformation statistics with probabilistic transport equations for volume fractions and momenta, based on local conservation laws formulated on a segmental scale. To generate chain conformation statistics, we are using a modification of the lattice random walk formalism of Scheutjens and Fleer. Their static SCF theory is limited to equilibrium systems, since probability distributions are obtained by free energy minimization, assuming isotropic Gaussian chain conformations. In contrast, our DSCF approach accounts for explicit time evolution of the segmental and (anisotropic) conditional stepping probabilities used for generating chain conformations. We have applied the DSCF model to a variety of isothermal inhomogenous fluids containing homopolymers, block copolymers and colloidal particles. In all the simulations, the system is equilibrated before the onset of a steady shear at the walls. Our results suggest that, on short time scales, the velocity evolution resembles shock wave propagation. In the course of time, the amplitude of the shock waves is viscously damped, giving rise to a Couette-like steady state velocity profile. This is also reflected in the temporal evolution of the tensor of the second moment of the end-to-end vector and the dissipative stress tensor. The two- and three-component polymer blends (with a diblock copolymer as the third component) exhibit the interfacial velocity and viscosity slip. The addition of a diblock copolymer suppresses the velocity, and therefore the viscosity slip. Colloidal particles suspended in a simple fluid exhibit layering near the walls

  9. 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

  10. Relevance of visco-plastic theory in a multi-directional inhomogeneous granular flow

    Science.gov (United States)

    Cortet, P.-P.; Bonamy, D.; Daviaud, F.; Dauchot, O.; Dubrulle, B.; Renouf, M.

    2009-10-01

    We confront a recent visco-plastic description of dense granular flows (Jop P. et al., Nature, 441 (2006) 727) with multi-directional inhomogeneous steady flows observed in non-smooth contact dynamics simulations of 2D half-filled rotating drums. Special attention is paid to check separately the two underlying fundamental statements into which the considered theory can be recast, namely i) a single relation between the invariants of stress and strain rate tensors and ii) the alignment between these tensors. Interestingly, the first prediction is fairly well verified over more than four decades of small strain rate, from the surface rapid flow to the quasi-static creep phase, where it is usually believed to fail because of jamming. On the other hand, the alignment between stress and strain rate tensors is shown to fail over the whole flow, what yields an apparent violation of the visco-plastic rheology when applied without care. In the quasi-static phase, the particularly large misalignment is conjectured to be related to transient dilatancy effects.

  11. Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules.

    Science.gov (United States)

    Huggins, David J

    2012-11-21

    The structures of biomolecules and the strengths of association between them depend critically on interactions with water molecules. Thus, understanding these interactions is a prerequisite for understanding the structure and function of all biomolecules. Inhomogeneous fluid solvation theory provides a framework to derive thermodynamic properties of individual water molecules from a statistical mechanical analysis. In this work, two biomolecules are analysed to probe the distribution and thermodynamics of surrounding water molecules. The great majority of hydration sites are predicted to contribute favourably to the total free energy with respect to bulk water, though hydration sites close to non-polar regions of the solute do not contribute significantly. Analysis of a biomolecule with a positively and negatively charged functional group predicts that a charged species perturbs the free energy of water molecules to a distance of approximately 6.0 Å. Interestingly, short simulations are found to provide converged predictions if samples are taken with sufficient frequency, a finding that has the potential to significantly reduce the required computational cost of such analysis. In addition, the predicted thermodynamic properties of hydration sites with the potential for direct hydrogen bonding interactions are found to disagree significantly for two different water models. This study provides important information on how inhomogeneous fluid solvation theory can be employed to understand the structures and intermolecular interactions of biomolecules.

  12. Computer simulation of ion beam analysis of laterally inhomogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Mayer, M.

    2016-03-15

    The program STRUCTNRA for the simulation of ion beam analysis charged particle spectra from arbitrary two-dimensional distributions of materials is described. The code is validated by comparison to experimental backscattering data from a silicon grating on tantalum at different orientations and incident angles. Simulated spectra for several types of rough thin layers and a chessboard-like arrangement of materials as example for a multi-phase agglomerate material are presented. Ambiguities between back-scattering spectra from two-dimensional and one-dimensional sample structures are discussed.

  13. Study of myocardial cell inhomogeneity of the human heart: Simulation and validation using polarized light imaging.

    Science.gov (United States)

    Desrosiers, Paul Audain; Michalowicz, Gabrielle; Jouk, Pierre-Simon; Usson, Yves; Zhu, Yuemin

    2016-05-01

    The arrangement or architecture of myocardial cells plays a fundamental role in the heart's function and its change was shown to be directly linked to heart diseases. Inhomogeneity level is an important index of myocardial cell arrangements in the human heart. The authors propose to investigate the inhomogeneity level of myocardial cells using polarized light imaging simulations and experiments. The idea is based on the fact that the myosin filaments in myocardial cells have the same properties as those of a uniaxial birefringent crystal. The method then consists in modeling the myosin filaments of myocardial cells as uniaxial birefringent crystal, simulating the behavior of the latter by means of the Mueller matrix, and measuring the final intensity of polarized light and consequently the inhomogeneity level of myocardial cells in each voxel through the use of crossed polarizers. The method was evaluated on both simulated and real tissues and under various myocardial cell configurations including parallel cells, crossed cells, and cells with random orientations. When myocardial cells run perfectly parallel to each other, all the polarized light was blocked by those parallel myocardial cells, and a high homogeneity level was observed. However, if myocardial cells were not parallel to each other, some leakage of the polarized light was observed, thus causing the decrease of the polarized light amplitude and homogeneity level. The greater the crossing angle between myocardial cells, the smaller the amplitude of the polarized light and the greater the inhomogeneity level. For two populations of myocardial cell crossing at an angle, the resulting azimuth angle of the voxel was the bisector of this angle. Moreover, the value of the inhomogeneity level began to decrease from a nonzero value when the voxel was not totally homogeneous, containing for example cell crossing. The proposed method enables the physical information of myocardial tissues to be estimated and the

  14. 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

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

    OpenAIRE

    J. Janeček; Krienke, H.; Schmeer, G.

    2007-01-01

    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 ...

  16. Detection of inhomogeneities in precipitation time series in Portugal using direct sequential simulation

    Science.gov (United States)

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

    2016-05-01

    Climate data homogenisation is of major importance in climate change monitoring, validation of weather forecasting, general circulation and regional atmospheric models, modelling of erosion, drought monitoring, among other studies of hydrological and environmental impacts. The reason is that 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 a geostatistical simulation technique (DSS - direct sequential simulation), where local probability density functions (pdfs) are calculated at candidate monitoring stations using spatial and temporal neighbouring observations, which then are used for the detection of inhomogeneities. Such 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). That study revealed promising results and the potential advantages of geostatistical techniques for inhomogeneity 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, Wald-Wolfowitz runs, Von Neumann ratio, Pettitt, Buishand range test, and standard normal homogeneity test (SNHT) for a single break). Moreover, a sensitivity analysis is performed to investigate the number of simulated realisations which should be used to infer the local pdfs with more accuracy. Accordingly, the number of simulations per iteration was increased from 50 to 500, which resulted in a more representative local pdf. As in the previous study, the results are compared with those from the

  17. Statistical theory of subcritically-excited strong turbulence in inhomogeneous plasmas. IV

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Sanae-I.; Itoh, Kimitaka [Max-Planck-Institut fuer Plasmaphysik, Garching bei Muenchen (Germany)

    2000-02-01

    A statistical theory of nonlinear-nonequilibrium plasma state with strongly developed turbulence and with strong inhomogeneity of the system has been developed. A Fokker-Planck equation for the probability distribution function of the magnitude of turbulence is deduced. In the statistical description, both the contributions of thermal excitation and turbulence are kept. From the Fokker-Planck equation, the transition probability between the thermal fluctuation and turbulent fluctuation is derived. With respect to the turbulent fluctuations, the coherent part to a certain test mode is renormalized as the drag to the test mode, and the rest, the incoherent part, is considered to be a random noise. The renormalized operator includes the effect of nonlinear destabilization as well as the decorrelation by turbulent fluctuations. The equilibrium distribution function describes the thermal fluctuation, self-sustained turbulence and the hysteresis between them as a function of the plasma gradient. The plasma inhomogeneity is the controlling parameter that governs time turbulence. The formula of transition probability recovers the Arrhenius law in the thermodynamical equilibrium limit. In the presence of self-noise, the transition probability deviates form the exponential law and provides a power law. Application is made to the submarginal interchange mode turbulence, being induced by the turbulent current-diffusivity, in inhomogeneous plasmas. The power law dependence of the transition probability is obtained on the distance between the pressure gradient and the critical gradient for linear instability. Thus a new type of critical exponent is explicitly deduced in the phenomena of subcritical excitation of turbulence. The method provides an extension of the nonequilibrium statistical physics to the far-nonequilibrium states. (author)

  18. Effects of inhomogeneity at stagnation in 3D simulations of ICF implosions

    Science.gov (United States)

    Appelbe, Brian

    2016-10-01

    The stagnation phase of an ICF implosion is characterized by a hotspot and dense fuel layer that are spatially and temporally inhomogeneous. Perturbation growth during the implosion results in significant asymmetry at stagnation while the hotspot size, density and temperature change rapidly, even in non-igniting capsules. Diagnosing these inhomogeneities is necessary to increase yield in ICF experiments. In this work, 3D radiation hydrodynamic simulations of perturbed indirect drive ICF capsules are carried out using the CHIMERA code. During the stagnation phase a suite of novel and computationally efficient simulation tools are used to produce synthetic time-resolved neutron spectra and images. These tools allow a detailed study of the effects of hotspot inhomogeneities on diagnostic signals. Results show that the burn-averaged ion temperature drops rapidly during thermonuclear burn as the hotspot evolves from a localised, shock-heated region to a more massive, non-uniform plasma. Primary DD and DT neutron spectra show that there is significant residual bulk fluid motion at stagnation, complicating the measurement of ion temperature. Different perturbation modes cause different levels of anisotropic spectra shifts and broadening. However, in all cases the discrepancies between the DD and DT spectra are a reliable indicator of residual motion at stagnation. The simulations are used to examine the relationship between neutron scattering and areal density (ρR). Three measures of areal density are simulated: downscattered neutron ratio, attenuated primary neutron yield and nT backscatter edge. Each of these diagnoses the magnitude and anisotropy of the ρR with varying success, with accuracy decreasing for higher mode perturbations. Contributions to the neutron energy spectra from T +T reactions, secondary DT reactions and deuteron break-up are also evaluated.

  19. 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

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Siqin [The HKUST Shenzhen Research Institute, Shenzhen (China); Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Sheong, Fu Kit [Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Huang, Xuhui, E-mail: xuhuihuang@ust.hk [The HKUST Shenzhen Research Institute, Shenzhen (China); Department of Chemistry, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong); Division of Biomedical Engineering, Center of Systems Biology and Human Health, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (Hong Kong)

    2015-08-07

    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.

  20. Rainbows in homogeneous and radially inhomogeneous spheres: connections with ray, wave and potential scattering theory

    CERN Document Server

    Adam, John A

    2014-01-01

    This chapter represents an attempt to summarize some of the direct and indirect connections that exist between ray theory, wave theory and potential scattering theory. Such connections have been noted in the past, and have been exploited to some degree, but in the opinion of this author, there is much more yet to be pursued in this regard. This article provides the framework for more detailed analysis in the future. In order to gain a better appreciation for a topic, it is frequently of value to examine it from as many complementary levels of description as possible, and that is the objective here. Drawing in part on the work of Nussenzveig, Lock, Debye and others, the mathematical nature of the rainbow is discussed from several perspectives. The primary bow is the lowest-order bow that can occur by scattering from a spherical drop with constant refractive index n, but zero-order (or direct transmission) bows can exist when the sphere is radially inhomogeneous. The refractive index profile automatically defin...

  1. SAR imaging simulation for an inhomogeneous undulated lunar surface based on triangulated irregular network

    Institute of Scientific and Technical Information of China (English)

    FA WenZhe; XU Feng; JIN YaQiu

    2009-01-01

    Based on the statistics of the lunar cratered terrain, e.g., population, dimension and shape of craters, the terrain feature of cratered lunar surface is numerically generated. According to the Inhomogeneous distribution of the lunar surface slope, the triangulated irregular network (TIN) is employed to make the digital elevation of lunar surface model. The Kirchhoff approximation of surface scattering is then applied to simulation of lunar surface scattering. The synthetic aperture radar (SAR) image for compre-hensive cratered lunar surface is numerically generated using back projection (BP) algorithm of SAR Imaging. Making use of the digital elevation and Clementlne UVVIS data at Apollo 15 landing site as the ground truth, an SAR Image at Apollo 15 landing site Is simulated. The image simulation is verified using real SAR image and echoes statistics.

  2. Numerical Simulation for sonic boom propagation through an Inhomogeneous atmosphere with winds

    Science.gov (United States)

    Yamamoto, Masafumi; Hashimoto, Atsushi; Takahashi, Takashi; Kamakura, Tomoo; Sakai, Takeharu

    2012-09-01

    Noise annoyance due to sonic boom is one of the serious problems for development of next-generation supersonic transport. To decrease this sonic boom noise, the design and analysis techniques are developed at Japan Aerospace eXploration Agency (JAXA). To predict the sonic boom on the ground accurately, we have developed a numerical code (Xnoise) using the augmented Burgers equation combined with the ray tracing. In this method, effects of nonlinearity, geometrical spreading, inhomogeneity of atmosphere, thermoviscous attenuation, molecular vibration relaxation and winds are taken into account. This method gives an estimation of the rise times of ground signatures without resorting to the weak shock theory and area balancing techniques. The nonlinear term is evaluated by the finite difference scheme in this method. In ray-path calculation, an explicit updating methodology is adopted. The augmented Burgers equation is numerically solved by using the operator split method entirely in the time domain. As for the effects of nonlinearity, geometrical spreading, and atmospheric inhomogeneity, the result obtained with the augmented Burgers equation agrees well with that obtained with the waveform parameter method (Thomas' method). For the effects of absorption and dispersion, the calculation based on the augmented Burgers equation is verified by comparing with a detailed one-dimensional CFD analysis. Moreover, we show calculations which account the effect of winds on the propagation of a sonic boom. The validation of model is a future work.

  3. Statistical theory of subcritically-excited strong turbulence in inhomogeneous plasmas. III

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Sanae-I.; Itoh, Kimitaka [Max-Planck-Institut fuer Plasmaphysik, Garching bei Muenchen (Germany)

    2000-02-01

    A statistical theory of nonlinear-nonequilibrium plasma state with strongly developed turbulence and with strong inhomogeneity of the system has been developed. A unified theory for both the thermally excited fluctuations and the strongly turbulent fluctuations is presented. With respect to the turbulent fluctuations, the coherent part to a certain test mode is renormalized as the drag to the test mode, and the rest, the incoherent part, is considered to be a random noise. The renormalized operator includes the effect of nonlinear destabilization as well as the decorrelation by turbulent fluctuations. Formulation is presented by deriving an Fokker-Planck equation for the probability distribution function. Equilibrium distribution function of fluctuations is obtained. Transition from the thermal fluctuations, that is governed by the Boltzmann distribution, to the turbulent fluctuation is clarified. The distribution function for the turbulent fluctuation has tail component and the width of which is in the same order as the mean fluctuation level itself. The Lyapunov function is constructed for the strongly turbulent plasma, and it is shown that an approach to a certain equilibrium distribution is assured. The result for the most probable state is expressed in terms of 'minimum renormalized dissipation rate', which is given by the ratio of the nonlinear decorrelation rate of fluctuation energy and the random excitation rate which includes both the thermal noise and turbulent self-noise effects. Application is made for example to the current-diffusive interchange mode turbulence in inhomogeneous plasmas. The applicability of this method covers plasma turbulences in much wider circumstance as well as neutral fluid turbulence. This method of analyzing strong turbulence has successfully extended the principles of statistical physics, i.e., Kubo-formula, Prigogine's principle of minimum entropy production rate. The condition for the turbulence transition is

  4. Simulations of an inhomogeneous stellar wind interacting with a pulsar wind in a binary system

    CERN Document Server

    Paredes-Fortuny, Xavier; Perucho, Manel; Ribó, Marc

    2014-01-01

    Binary systems containing a massive star and a non-accreting pulsar present strong interaction between the stellar and the pulsar winds. The properties of this interaction, which largely determine the non-thermal radiation in these systems, strongly depend on the structure of the stellar wind, which can be clumpy or strongly anisotropic, as in Be stars. We study numerically the influence of inhomogeneities in the stellar wind on the structure of the two-wind interaction region. We carried out for the first time axisymmetric, relativistic hydrodynamical simulations, with Lorentz factors of ~6 and accounting for the impact of instabilities, to study the impact in the two-wind interaction structure of an over-dense region of the stellar wind. We also followed the evolution of this over-dense region or clump as it faces the impact of the pulsar wind. For typical system parameters, and adopting a stellar wind inhomogeneity with a density contrast >~10, clumps with radii of a few percent of the binary size can sign...

  5. Input-output theory for waveguide QED with an ensemble of inhomogeneous atoms

    Science.gov (United States)

    Lalumière, Kevin; Sanders, Barry C.; van Loo, A. F.; Fedorov, A.; Wallraff, A.; Blais, A.

    2013-10-01

    We study the collective effects that emerge in waveguide quantum electrodynamics where several (artificial) atoms are coupled to a one-dimensional superconducting transmission line. Since single microwave photons can travel without loss for a long distance along the line, real and virtual photons emitted by one atom can be reabsorbed or scattered by a second atom. Depending on the distance between the atoms, this collective effect can lead to super- and subradiance or to a coherent exchange-type interaction between the atoms. Changing the artificial atoms transition frequencies, something which can be easily done with superconducting qubits (two levels artificial atoms), is equivalent to changing the atom-atom separation and thereby opens the possibility to study the characteristics of these collective effects. To study this waveguide quantum electrodynamics system, we extend previous work and present an effective master equation valid for an ensemble of inhomogeneous atoms driven by a coherent state. Using input-output theory, we compute analytically and numerically the elastic and inelastic scattering and show how these quantities reveal information about collective effects. These theoretical results are compatible with recent experimental results using transmon qubits coupled to a superconducting one-dimensional transmission line [van Loo (unpublished)].

  6. Hybrid Simulation of Laser-Plasma Interactions and Fast Electron Transport in Inhomogeneous Plasma

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, B I; Kemp, A; Divol, L

    2009-05-27

    A new framework is introduced for kinetic simulation of laser-plasma interactions in an inhomogenous plasma motivated by the goal of performing integrated kinetic simulations of fast-ignition laser fusion. The algorithm addresses the propagation and absorption of an intense electromagnetic wave in an ionized plasma leading to the generation and transport of an energetic electron component. The energetic electrons propagate farther into the plasma to much higher densities where Coulomb collisions become important. The high-density plasma supports an energetic electron current, return currents, self-consistent electric fields associated with maintaining quasi-neutrality, and self-consistent magnetic fields due to the currents. Collisions of the electrons and ions are calculated accurately to track the energetic electrons and model their interactions with the background plasma. Up to a density well above critical density, where the laser electromagnetic field is evanescent, Maxwell's equations are solved with a conventional particle-based, finite-difference scheme. In the higher-density plasma, Maxwell's equations are solved using an Ohm's law neglecting the inertia of the background electrons with the option of omitting the displacement current in Ampere's law. Particle equations of motion with binary collisions are solved for all electrons and ions throughout the system using weighted particles to resolve the density gradient efficiently. The algorithm is analyzed and demonstrated in simulation examples. The simulation scheme introduced here achieves significantly improved efficiencies.

  7. Non-Parabolic Hydrodynamic Formulations for the Simulation of Inhomogeneous Semiconductor Devices

    Science.gov (United States)

    Smith, A. W.; Brennan, K. F.

    1996-01-01

    Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models cannot fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations or the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship ((hk)(exp 2)/2m = W(1 + alphaW). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(exp y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships; parabolic, Kane dispersion and power law dispersion.

  8. Non-Parabolic Hydrodynamic Formulations for the Simulation of Inhomogeneous Semiconductor Devices

    Science.gov (United States)

    Smith, A. W.; Brennan, K. F.

    1996-01-01

    Hydrodynamic models are becoming prevalent design tools for small scale devices and other devices in which high energy effects can dominate transport. Most current hydrodynamic models use a parabolic band approximation to obtain fairly simple conservation equations. Interest in accounting for band structure effects in hydrodynamic device simulation has begun to grow since parabolic models cannot fully describe the transport in state of the art devices due to the distribution populating non-parabolic states within the band. This paper presents two different non-parabolic formulations or the hydrodynamic model suitable for the simulation of inhomogeneous semiconductor devices. The first formulation uses the Kane dispersion relationship ((hk)(exp 2)/2m = W(1 + alphaW). The second formulation makes use of a power law ((hk)(exp 2)/2m = xW(exp y)) for the dispersion relation. Hydrodynamic models which use the first formulation rely on the binomial expansion to obtain moment equations with closed form coefficients. This limits the energy range over which the model is valid. The power law formulation readily produces closed form coefficients similar to those obtained using the parabolic band approximation. However, the fitting parameters (x,y) are only valid over a limited energy range. The physical significance of the band non-parabolicity is discussed as well as the advantages/disadvantages and approximations of the two non-parabolic models. A companion paper describes device simulations based on the three dispersion relationships; parabolic, Kane dispersion and power law dispersion.

  9. A Hydrodynamic Theory for Spatially Inhomogeneous Semiconductor Lasers. 2; Numerical Results

    Science.gov (United States)

    Li, Jianzhong; Ning, C. Z.; Biegel, Bryan A. (Technical Monitor)

    2001-01-01

    We present numerical results of the diffusion coefficients (DCs) in the coupled diffusion model derived in the preceding paper for a semiconductor quantum well. These include self and mutual DCs in the general two-component case, as well as density- and temperature-related DCs under the single-component approximation. The results are analyzed from the viewpoint of free Fermi gas theory with many-body effects incorporated. We discuss in detail the dependence of these DCs on densities and temperatures in order to identify different roles played by the free carrier contributions including carrier statistics and carrier-LO phonon scattering, and many-body corrections including bandgap renormalization and electron-hole (e-h) scattering. In the general two-component case, it is found that the self- and mutual- diffusion coefficients are determined mainly by the free carrier contributions, but with significant many-body corrections near the critical density. Carrier-LO phonon scattering is dominant at low density, but e-h scattering becomes important in determining their density dependence above the critical electron density. In the single-component case, it is found that many-body effects suppress the density coefficients but enhance the temperature coefficients. The modification is of the order of 10% and reaches a maximum of over 20% for the density coefficients. Overall, temperature elevation enhances the diffusive capability or DCs of carriers linearly, and such an enhancement grows with density. Finally, the complete dataset of various DCs as functions of carrier densities and temperatures provides necessary ingredients for future applications of the model to various spatially inhomogeneous optoelectronic devices.

  10. Plasma Theory and Simulation.

    Science.gov (United States)

    1979-09-30

    mode In all of Davidson’s equations, there is a factor of /2- difference in vti due 2 to his definition of T.i =m v ti12. -3- 𔃺-1 10-2- 1 0- 10-51 0.3...v E.6 max N~ -10- 0.6 v x 0.4 -0.2 a -0.4 0 1.0 2.0 3.0 4.0 5.0 6.0 16 12 8 4 (b) -0.4 -0.2 Vph -0. -. 2 0.0 0.2 0.4 A vx FIG. 5 Simulation (many mode...Drift Instability", Phys. Fluids 21, 1017 (1978). l mj 12 0.6 . . . . . . vx A 0.4. -0.2 (a) -0.4x 0 10 2.0 3.0 4.0 5.0 6.0 16 12 8 4 (b) Vph -0.4 -0.2

  11. Inhomogeneous Polyakov loop induced by inhomogeneous chiral condensates

    Directory of Open Access Journals (Sweden)

    Tomoya Hayata

    2015-05-01

    Full Text Available We study the spatial inhomogeneity of the Polyakov loop induced by inhomogeneous chiral condensates. We formulate an effective model of gluons on the background fields of chiral condensates, and perform its lattice simulation. On the background of inhomogeneous chiral condensates, the Polyakov loop exhibits an in-phase spatial oscillation with the chiral condensates. We also analyze the heavy quark potential and show that the inhomogeneous Polyakov loop indicates the inhomogeneous confinement of heavy quarks.

  12. Inhomogeneous Polyakov loop induced by inhomogeneous chiral condensates

    Energy Technology Data Exchange (ETDEWEB)

    Hayata, Tomoya, E-mail: hayata@riken.jp [Department of Physics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Theoretical Research Division, Nishina Center, RIKEN, Wako, Saitama 351-0198 (Japan); Yamamoto, Arata [Department of Physics, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Theoretical Research Division, Nishina Center, RIKEN, Wako, Saitama 351-0198 (Japan)

    2015-05-11

    We study the spatial inhomogeneity of the Polyakov loop induced by inhomogeneous chiral condensates. We formulate an effective model of gluons on the background fields of chiral condensates, and perform its lattice simulation. On the background of inhomogeneous chiral condensates, the Polyakov loop exhibits an in-phase spatial oscillation with the chiral condensates. We also analyze the heavy quark potential and show that the inhomogeneous Polyakov loop indicates the inhomogeneous confinement of heavy quarks.

  13. Invariant imbedding theory of wave propagation in arbitrarily inhomogeneous stratified bi-isotropic media

    CERN Document Server

    Kim, Seulong

    2016-01-01

    Bi-isotropic media, which include isotropic chiral media and Tellegen media as special cases, are the most general form of linear isotropic media where the electric displacement and the magnetic induction are related to both the electric field and the magnetic intensity. In inhomogeneous bi-isotropic media, electromagnetic waves of two different polarizations are coupled to each other. In this paper, we develop a generalized version of the invariant imbedding method for the study of wave propagation in arbitrarily-inhomogeneous stratified bi-isotropic media, which can be used to solve the coupled wave propagation problem accurately and efficiently. We verify the validity and usefulness of the method by applying it to several examples, including the wave propagation in a uniform chiral slab, the surface wave excitation in a bilayer system made of a layer of Tellegen medium and a metal layer, and the mode conversion of transverse electromagnetic waves into longitudinal plasma oscillations in inhomogeneous Telle...

  14. Numerical micromagnetism of strong inhomogeneities

    Energy Technology Data Exchange (ETDEWEB)

    Andreas, Christian [Peter Grünberg Institut (PGI-6), Forschungszentrum Jülich GmbH, D-52428 Jülich (Germany); Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg, CNRS UMR 7504, Strasbourg (France); Gliga, Sebastian [Laboratory for Micro- and Nanotechnology, Paul Scherrer Institute, 5232 Villigen PSI (Switzerland); Laboratory for Mesoscopic Systems, Department of Materials, ETH Zurich, 8093 Zurich (Switzerland); Hertel, Riccardo, E-mail: hertel@ipcms.unistra.fr [Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg, CNRS UMR 7504, Strasbourg (France)

    2014-08-01

    The size of micromagnetic structures, such as domain walls or vortices, is comparable to the exchange length of the ferromagnet. Both, the exchange length of the stray field l{sub s} and the magnetocrystalline exchange length l{sub k}, are material-dependent quantities that usually lie in the nanometer range. This emphasizes the theoretical challenges associated with the mesoscopic nature of micromagnetism: the magnetic structures are much larger than the atomic lattice constant, but at the same time much smaller than the sample size. In computer simulations, the smallest exchange length serves as an estimate for the largest cell size admissible to prevent appreciable discretization errors. This general rule is not valid in special situations where the magnetization becomes particularly inhomogeneous. When such strongly inhomogeneous structures develop, micromagnetic simulations inevitably contain systematic and numerical errors. It is suggested to combine micromagnetic theory with a Heisenberg model to resolve such problems. We analyze cases where strongly inhomogeneous structures pose limits to standard micromagnetic simulations, arising from fundamental aspects as well as from numerical drawbacks. - Highlights: • We discuss the impact of strong inhomogeneities on micromagnetic simulations. • Analysis of fundamental and numerical errors in micromagnetic point singularities. • Numerical and methodological errors in exchange energy terms are quantified. • Suggestion to combine atomistic Heisenberg models with micromagnetism in such cases.

  15. Large scale structure simulations of inhomogeneous Lemaître-Tolman-Bondi void models

    Science.gov (United States)

    Alonso, David; García-Bellido, Juan; Haugbølle, Troels; Vicente, Julián

    2010-12-01

    We perform numerical simulations of large scale structure evolution in an inhomogeneous Lemaître-Tolman-Bondi (LTB) model of the Universe. We follow the gravitational collapse of a large underdense region (a void) in an otherwise flat matter-dominated Einstein-de Sitter model. We observe how the (background) density contrast at the center of the void grows to be of order one, and show that the density and velocity profiles follow the exact nonlinear LTB solution to the full Einstein equations for all but the most extreme voids. This result seems to contradict previous claims that fully relativistic codes are needed to properly handle the nonlinear evolution of large scale structures, and that local Newtonian dynamics with an explicit expansion term is not adequate. We also find that the (local) matter density contrast grows with the scale factor in a way analogous to that of an open universe with a value of the matter density ΩM(r) corresponding to the appropriate location within the void.

  16. Downscaling Snow Cover Fraction Data in Mountainous Regions Based on Simulated Inhomogeneous Snow Ablation

    Directory of Open Access Journals (Sweden)

    Hong Yi Li

    2015-07-01

    Full Text Available High-resolution snow distributions are essential for studying cold regions. However, the temporal and spatial resolutions of current remote sensing snow maps remain limited. Remotely sensed snow cover fraction (SCF data only provide quantitative descriptions of snow area proportions and do not provide information on subgrid-scale snow locations. We present a downscaling method based on simulated inhomogeneous snow ablation capacities that are driven by air temperature and solar radiation data. This method employs a single parameter to adjust potential snow ablation capacities. Using this method, SCF data with a resolution of 500 m are downscaled to a resolution of 30 m. Then, 18 remotely sensed TM, CHRIS and EO-1 snow maps are used to verify the downscaled results. The mean overall accuracy is 0.69, the average root-mean-square error (RMSE of snow-covered slopes between the downscaled snow map and the real snow map is 3.9°, and the average RMSE of the sine of the snow covered aspects between the downscaled snow map and the real snow map is 0.34, which is equivalent to 19.9°. This method can be applied to high-resolution snow mapping in similar mountainous regions.

  17. Evaluation of the Effects of Inhomogeneities on Dose Profiles Using Polymer Gel Dosimeter and Monte Carlo Simulation in Gamma Knife

    Directory of Open Access Journals (Sweden)

    Tayeb Allahverdi Pourfallah

    2012-03-01

    Full Text Available Introduction Polymer gel dosimeters offer a practical solution to 3D dose verification for conventional radiotherapy as well as intensity-modulated and stereotactic radiotherapy. In this study, EGSnrc calculated and PAGAT polymer gel dosimeter measured dose profiles from single shot irradiation with 18 mm collimator of Gamma Knife in homogeneous and inhomogeneous phantoms were compared with each other. Materials and Methods The head phantom was a custom-built 16 cm diameter plexiglas sphere. Inside the phantom, there were two cubic cutouts for inserting the gel vials and inhomogeneities. Following irradiation with the Gamma Knife unit, the polymer gel dosimeters were scanned with a 1.5 T MRI scanner. For the purpose of simulation the simplified channel of 60Co source of Gamma Knife BEAMnrc and for extracting the 3D dose distribution in the phantom, DOSXYZnrc codes were used. Results Within high isodose levels (>80%, there are dose differences higher than 7%, especially between air inserted and PTFE inserted phantoms, which were obtained using both simulation and experiment. This means that these values exceed the acceptance criterion of conformal radiotherapy and stereotactic radiosurgery (i.e., within some isodose levels, less than 93% of prescription dose are delivered to the target. Conclusion The discrepancies observed between the results obtained from heterogeneous and homogeneous phantoms suggest that Leksell Gamma Knife planning system (LGP predictions which assume the target as a homogeneous material must be corrected in order to take care of the air- and bone-tissue inhomogeneities.

  18. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Wei [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); Wang, Jin, E-mail: jin.wang.1@stonybrook.edu [Department of Physics and Astronomy and Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794 (United States); State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 130022 Changchun, China and College of Physics, Jilin University, 130021 Changchun (China)

    2014-09-14

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

  20. Local thermodynamics of the water molecules around single- and double-stranded DNA studied by grid inhomogeneous solvation theory

    Science.gov (United States)

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

    2016-09-01

    Thermodynamic properties of water molecules around single- and double-stranded DNAs (ssDNAs and dsDNAs) with different sequences were investigated using grid inhomogeneous solvation theory. Free energies of water molecules solvating the minor groove of dsDNAs are lower than those near ssDNAs, while water molecules should be released during the formation of dsDNA. Free energies of water molecules around dsDNA are lower than those around ssDNA even in the second and third hydration shells. Our findings will help to clarify the role of water molecules in the formation of dsDNA from ssDNAs, thus facilitating the designs of drugs or nanomaterials using DNA.

  1. 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.

  2. Unified theory for inhomogeneous thermoelectric generators and coolers including multistage devices

    Science.gov (United States)

    Gerstenmaier, York Christian; Wachutka, Gerhard

    2012-11-01

    A novel generalized Lagrange multiplier method for functional optimization with inclusion of subsidiary conditions is presented and applied to the optimization of material distributions in thermoelectric converters. Multistaged devices are considered within the same formalism by inclusion of position-dependent electric current in the legs leading to a modified thermoelectric equation. Previous analytical solutions for maximized efficiencies for generators and coolers obtained by Sherman [J. Appl. Phys.JAPIAU0021-897910.1063/1.1735380 31, 1 (1960)], Snyder [Phys. Rev. B1098-012110.1103/PhysRevB.86.045202 86, 045202 (2012)], and Seifert [Phys. Status Solidi APSSABA0031-896510.1002/pssa.200925460 207, 760 (2010)] by a method of local optimization of reduced efficiencies are recovered by independent proof. The outstanding maximization problems for generated electric power and cooling power can be solved swiftly numerically by solution of a differential equation-system obtained within the new formalism. As far as suitable materials are available, the inhomogeneous TE converters can have increased performance by use of purely temperature-dependent material properties in the thermoelectric legs or by use of purely spatial variation of material properties or by a combination of both. It turns out that the optimization domain is larger for the second kind of device which can, thus, outperform the first kind of device.

  3. 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)

  4. Cosmological Perturbation Theory and the Evolution of Small-Scale Inhomogeneities

    CERN Document Server

    Miedema, P G

    2011-01-01

    It is shown that a first-order cosmological perturbation theory for the open, flat and closed Friedmann-Lemaitre-Robertson-Walker universes admits one, and only one, gauge-invariant variable which describes the perturbation to the energy density and which becomes equal to the usual Newtonian energy density in the non-relativistic limit. The same holds true for the perturbation to the particle number density. Using these two new variables, a new manifestly gauge-invariant cosmological perturbation theory based on the Lifshitz-Khalatnikov theory has been developed. Perturbations in the total energy density are gravitationally coupled to perturbations in the particle number density, irrespective of the nature of the particles. There is, in first-order, no back-reaction of perturbations to the global expansion of the universe. Small-scale perturbations in the radiation-dominated era oscillate with an increasing amplitude. Density perturbations do not evolve adiabatically, as is usually assumed, but diabatically, ...

  5. Lattice gauge theories and Monte Carlo simulations

    CERN Document Server

    Rebbi, Claudio

    1983-01-01

    This volume is the most up-to-date review on Lattice Gauge Theories and Monte Carlo Simulations. It consists of two parts. Part one is an introductory lecture on the lattice gauge theories in general, Monte Carlo techniques and on the results to date. Part two consists of important original papers in this field. These selected reprints involve the following: Lattice Gauge Theories, General Formalism and Expansion Techniques, Monte Carlo Simulations. Phase Structures, Observables in Pure Gauge Theories, Systems with Bosonic Matter Fields, Simulation of Systems with Fermions.

  6. Linear Theory of the E x B Instability with an Inhomogeneous Field.

    Science.gov (United States)

    1982-10-13

    phenomena based upon this UWs~biUity (Us= s=d Workman, 1970 and ref erences therein; Stem.n 1970; 14k and hkerendel, 1971; Norkins et al.. 1973; Zabusky...frequency ts now given by w r - ’ky V s(x ). N1ovevert NOrkins and as. (1975) have shown, both analytically and using numerical simulations,, that this Is

  7. Piecewise continuous distribution function method in the theory of wave disturbances of inhomogeneous gas

    Energy Technology Data Exchange (ETDEWEB)

    Vereshchagin, D.A. [Theoretical Physics Department, Kaliningrad State University, A. Nevsky st. 14, Kaliningrad (Russian Federation); Leble, S.B. [Theoretical Physics Department, Kaliningrad State University, A. Nevsky st. 14, Kaliningrad (Russian Federation) and Theoretical Physics and Mathematical Methods Department, Gdansk University of Technology, ul. Narutowicza 11/12, Gdansk (Poland)]. E-mail: leble@mifgate.pg.gda.pl; Solovchuk, M.A. [Theoretical Physics Department, Kaliningrad State University, A. Nevsky st. 14, Kaliningrad (Russian Federation)]. E-mail: solovchuk@yandex.ru

    2006-01-02

    The system of hydrodynamic-type equations for a stratified gas in gravity field is derived from BGK equation by method of piecewise continuous distribution function. The obtained system of the equations generalizes the Navier-Stokes one at arbitrary Knudsen numbers. The problem of a wave disturbance propagation in a rarefied gas is explored. The verification of the model is made for a limiting case of a homogeneous medium. The phase velocity and attenuation coefficient values are in an agreement with former fluid mechanics theories; the attenuation behavior reproduces experiment and kinetics-based results at more wide range of the Knudsen numbers.

  8. Simulating the timescale dependent color variation in quasars with a revised inhomogeneous disk model

    CERN Document Server

    Cai, Zhen-Yi; Gu, Wei-Min; Sun, Yu-Han; Wu, Mao-Chun; Huang, Xing-Xing; Chen, Xiao-Yang

    2016-01-01

    The UV/optical variability of active galactic nuclei and quasars is useful for understanding the physics of the accretion disk and is gradually attributed to the stochastic fluctuations over the accretion disk. Quasars generally appear bluer when they brighten in the UV/optical, the nature of which remains controversial. Recently \\citeauthor{Sun2014} 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 innermost 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., $\\tau \\sim r$; based on the one originally proposed ...

  9. Spin Dynamics Simulations of Multiple Echo Spacing Pulse Sequences in Grossly Inhomogeneous Fields

    Science.gov (United States)

    Heidler, R.; Bachman, H. N.; Johansen, Y.

    2008-12-01

    Pulse sequences with multiple lengths of echo spacings are used in oilfield NMR logging for diffusion-based NMR applications such as rock and fluid characterization. One specific implementation is the so-called diffusion editing sequence comprising two long echo spacings followed by a standard CPMG at a shorter echo spacing. The echoes in the CPMG portion contain signal from both the direct and stimulated echoes. Modern oilfield NMR logging tools are designed for continuous depth logging of earth formations by projecting both the static (B0) and dynamic (B1) fields into the formation. Both B0 and B1 profiles are grossly inhomogeneous which results in non-steady-state behavior in the early echoes. The spin dynamics effects present a challenge for processing the echo amplitudes to measure porosity (amplitude extrapolated to zero time) and attenuations for fluid or pore size characterization. In this work we describe a calculation of the spin dynamics of the diffusion editing sequence with two long echo spacings. The calculation takes into account full B1 and B0 field maps, and comparisons will be made for sensors and parameters typical of oilfield logging tools and environments.

  10. Classical density-functional theory of inhomogeneous water including explicit molecular structure and nonlinear dielectric response.

    Science.gov (United States)

    Lischner, Johannes; Arias, T A

    2010-02-11

    We present an accurate free-energy functional for liquid water written in terms of a set of effective potential fields in which fictitious noninteracting water molecules move. The functional contains an exact expression of the entropy of noninteracting molecules and thus provides an ideal starting point for the inclusion of complex intermolecular interactions which depend on the orientation of the interacting molecules. We show how an excess free-energy functional can be constructed to reproduce the following properties of water: the dielectric response; the experimental site-site correlation functions; the surface tension; the bulk modulus of the liquid and the variation of this modulus with pressure; the density of the liquid and the vapor phase; and liquid-vapor coexistence. As a demonstration, we present results for the application of this theory to the behavior of liquid water in a parallel plate capacitor. In particular, we make predictions for the dielectric response of water in the nonlinear regime, finding excellent agreement with known data.

  11. The Electrodynamics of Inhomogeneous Rotating Media and the Abraham and Minkowski Tensors I: General Theory

    CERN Document Server

    Goto, Shin-itiro; Walton, Timothy J

    2010-01-01

    This is paper I of a series of two papers, offering a self-contained analysis of the role of electromagnetic stress-energy-momentum tensors in the classical description of continuous polarizable perfectly insulating media. While acknowledging the primary role played by the total stress-energy-momentum tensor on spacetime, we argue that it is meaningful and useful in the context of covariant constitutive theory to assign preferred status to particular parts of this total tensor, when defined with respect to a particular splitting. The notion of a force density that arises from the divergence of these tensors is strictly defined relative to some inertial property of the medium. Consistency with the laws of Newtonian continuum mechanics demands that the total force density on any element of a medium be proportional to the local linear acceleration field of that element in an inertial frame and must also arise as part of the divergence of the total stress-energy-momentum tensor. In this paper we explore how elect...

  12. Statistical theory of subcritically-excited strong turbulence in inhomogeneous plasmas. V

    Energy Technology Data Exchange (ETDEWEB)

    Itoh, Sanae-I. [Research Institute for Applied Mechanics, Kyushu University, Kasuga, Fukuoka (Japan); Itoh, Kimitaka [National Inst. for Fusion Science, Toki, Gifu (Japan)

    2000-10-01

    A statistical theory of strong plasma turbulence in nonlinear-nonequilibrium state is extended. By use of the spectral decomposition method, the renormalized propagator is decomposed into the projection operators. The decomposition of fluctuation fields into the least stable branch and other branches is explicitly made. The extended fluctuation dissipation theorem is derived for each decomposed renormalized mode. The decorrelation rate, eddy damping rate, fluctuation level and correlation functions are obtained even in the case that the cross-correlation functions and auto-correlation functions are of the same order of magnitude. The Fokker-Planck equation is reformulated for fluctuation components of each branch. These results are generalization of the previous result. It is confirmed that the solutions, probability distribution function and related transition probability which have been obtained in previous analyses are found valid apart from a numerical coefficient of the order of unity. In order to show the wider applicability, a case of plasma turbulence which is described by the four-field reduced set of equations is also discussed. (author)

  13. 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...

  14. Inhomogeneous Poisson point process nucleation: comparison of analytical solution with cellular automata simulation

    Directory of Open Access Journals (Sweden)

    Paulo Rangel Rios

    2009-06-01

    Full Text Available Microstructural evolution in three dimensions of nucleation and growth transformations is simulated by means of cellular automata (CA. In the simulation, nuclei are located in space according to a heterogeneous Poisson point processes. The simulation is compared with exact analytical solution recently obtained by Rios and Villa supposing that the intensity is a harmonic function of the spatial coordinate. The simulated data gives very good agreement with the analytical solution provided that the correct shape factor for the growing CA grains is used. This good agreement is auspicious because the analytical expressions were derived and thus are exact only if the shape of the growing regions is spherical.

  15. 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.

  16. Computer simulation of light scattering from dynamic inhomogeneities in live tissue

    Science.gov (United States)

    Priezzhev, Alexander V.; Fedoseev, Victor V.; Kudinov, Dmitry V.

    1999-03-01

    We describe the results of the study of light propagation and scattering in a model biological tissue comprising moving particles simulating blood perfusion. The study was performed by means of Monte Carlo simulation. The obtained dependencies of the total intensity and of the Doppler spectra of the backscattered light on the model parameters are analyzed. The CW and ultra-short pulse modes of sample probing and time gating of the detected signal are considered.

  17. Simulating the 21-cm signal from reionisation including non-linear ionisations and inhomogeneous recombinations

    OpenAIRE

    Hassan, Sultan; Davé, Romeel; Finlator, Kristian; Santos, Mario G.

    2015-01-01

    We explore the impact of incorporating physically motivated ionisation and recombination rates on the history and topology of cosmic reionisation, by incorporating inputs from small-volume hydrodynamic simulations into a semi-numerical code, SimFast21, that evolves reionisation on large scales. We employ radiative hydrodynamic simulations to parameterize the ionisation rate Rion and recombination rate Rrec as functions of halo mass, overdensity and redshift. We find that Rion is super-linearl...

  18. 3D particle-in-cell simulation of electron acceleration by Langmuir waves in an inhomogeneous plasma

    CERN Document Server

    Pechhacker, R

    2014-01-01

    A possible solution to the unexplained high intensity hard x-ray (HXR) emission observable during solar flares was investigated via 3D fully relativistic, electromagnetic particle-in-cell (PIC) simulations with realistic ion to electron mass ratio. A beam of accelerated electrons was injected into a magnetised, Maxwellian, homogeneous and inhomogeneous background plasma. The electron distribution function was unstable to the beam-plasma instability and was shown to generate Langmuir waves, while relaxing to plateau formation. In order to estimate the role of the background density gradient on an unbound (infinite spatial extent) beam, three different scenarios were investigated: a) a uniform density background; b) a weak density gradient, n_R/n_L=3; c) a strong gradient case, n_R/n_L=10, where n_R and n_L denote background electron densities on the left and right edges of the simulation box respectively. The strong gradient case produced the largest fraction of electrons beyond 15 v_th. Further, two cases (un...

  19. Theory and simulation of laser plasma coupling

    Energy Technology Data Exchange (ETDEWEB)

    Kruer, W.L.

    1979-08-09

    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.

  20. Parallelization of Kinetic Theory Simulations

    CERN Document Server

    Howell, Jim; Colbry, Dirk; Pickett, Rodney; Staber, Alec; Sagert, Irina; Strother, Terrance

    2013-01-01

    Numerical studies of shock waves in large scale systems via kinetic simulations with millions of particles are too computationally demanding to be processed in serial. In this work we focus on optimizing the parallel performance of a kinetic Monte Carlo code for astrophysical simulations such as core-collapse supernovae. Our goal is to attain a flexible program that scales well with the architecture of modern supercomputers. This approach requires a hybrid model of programming that combines a message passing interface (MPI) with a multithreading model (OpenMP) in C++. We report on our approach to implement the hybrid design into the kinetic code and show first results which demonstrate a significant gain in performance when many processors are applied.

  1. Fibre Network Generation andAnalysis : Method for simulation of inhomogeneous static fibre networks

    OpenAIRE

    Mesquine, Abdellah

    2012-01-01

    In paper optics, advanced modeling of the interaction of light with complex structuresare required for optimization of the optical properties of paper. Monte Carlosimulation routines have been developed in an Open Source project, PaperOpt, inorder to simulate light scattering in paper. The goal of the project is to make the toolmore modular and extensible so that researchers within the paper optics field canmake their own contributions to the model. This thesis is a part of Open PaperOptproje...

  2. 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.

  3. Dynamic simulation for tempo-spatial distribution of strain energy density in inhomogeneous stratified crust

    Institute of Scientific and Technical Information of China (English)

    CHEN Yu-kun; NIE Yong-an

    2000-01-01

    Through simulating the research on dynamic variations of strain energy density (SED) in seismogenic model with hard inclusion, the authors have gained further knowledge to such problems as the process of earthquake preparation, initial rupture, conditions of the initial rupture and fracture propagation direction, etc. Results of the research show that SED (strain energy density) in soft inclusion is very high during the initial period of earthquake preparation. And the increment of SED in the soft area decreases at the later stage of the process. Meanwhile, the increment increases quickly in hard inclusion and in the intersection zone of the inclusion with an erecting fault, where the increment of SED is maximum. Thus, the intersection zone between hard inclusion with larger elastic modulus and erecting fault becomes the place where the initial rupture or earthquake occurs. The fracture in the end part of the hard inclusion spreads along a direction nearly vertical to the erecting fault, so the theoretical fracture direction is consistent with that calculated by digital simulation.

  4. Secondary infall theory versus simulations

    CERN Document Server

    Zaroubi, S; Hoffman, Y; Zaroubi, Saleem; Naim, Avi; Hoffman, Yehuda

    1995-01-01

    The applicability of the highly idealized secondary infall model to `realistic' initial conditions is investigated. The collapse of proto-halos seeded by 3\\sigma density perturbations to an Einstein--de Sitter universe is studied here for a variety of scale-free power spectra with spectral indices ranging from n=1 to -2. Initial conditions are set by the constrained realization algorithm and the dynamical evolution is calculated both analytically and numerically. The analytic calculation is based on the simple secondary infall model where spherical symmetry is assumed. A full numerical simulation is performed by a Tree N-body code where no symmetry is assumed. A hybrid calculation has been performed by using a monopole term code, where no symmetry is imposed on the particles but the force is approximated by the monopole term only. The main purpose of using such code is to suppress off-center mergers. In all cases studied here the rotation curves calculated by the two numerical codes are in agreement over most...

  5. Hard spheres at a planar hard wall: Simulations and density functional theory

    Directory of Open Access Journals (Sweden)

    R.L. Davidchack

    2016-03-01

    Full Text Available Hard spheres are a central and important model reference system for both homogeneous and inhomogeneous fluid systems. In this paper we present new high-precision molecular-dynamics computer simulations for a hard sphere fluid at a planar hard wall. For this system we present benchmark data for the density profile ρ(z at various bulk densities, the wall surface free energy γ, the excess adsorption Γ, and the excess volume v_{ex}, which is closely related to Γ. We compare all benchmark quantities with predictions from state-of-the-art classical density functional theory calculations within the framework of fundamental measure theory. While we find overall good agreement between computer simulations and theory, significant deviations appear at sufficiently high bulk densities.

  6. 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...... thermodynamic properties of solutions...

  7. 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.

  8. The Noncommutative Inhomogeneous Hopf Algebra

    CERN Document Server

    Lagraa, M

    1997-01-01

    From the bicovariant first order differential calculus over inhomogeneous Hopf algebra B we construct the set of right-invariant Maurer Cartan one-forms considered as a right-invariant basis of a bicovariant B-bimodule over which we develope the Woronowicz'general theory differential calculus on quantum groups. In this context, we derive the inhomogeneous commutation rules and investigate the properties of their different terms.

  9. The Noncommutative Inhomogeneous Hopf Algebra

    OpenAIRE

    1997-01-01

    From the bicovariant first order differential calculus on inhomogeneous Hopf algebra ${\\cal B}$ we construct the set of right-invariant Maurer-Cartan one-forms considered as a right-invariant basis of a bicovariant ${\\cal B}$-bimodule over which we develop the Woronowicz's general theory of differential calculus on quantum groups. In this formalism, we introduce suitable functionals on ${\\cal B}$ which control the inhomogeneous commutation rules. In particular we find that the homogeneous par...

  10. 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.…

  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. Theory, Modeling and Simulation Annual Report 2000

    Energy Technology Data Exchange (ETDEWEB)

    Dixon, David A.; Garrett, Bruce C.; Straatsma, Tp; Jones, Donald R.; Studham, Ronald S.; Harrison, Robert J.; Nichols, Jeffrey A.

    2001-11-01

    This annual report describes the 2000 research accomplishments for the Theory, Modeling, and Simulation (TM&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.

  14. Theory, Modeling and Simulation Annual Report 2000

    Energy Technology Data Exchange (ETDEWEB)

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

    2001-11-01

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

  15. 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...

  16. 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 ...

  17. Theory and simulations of rotating convection

    CERN Document Server

    Barker, Adrian J; Lithwick, Yoram

    2014-01-01

    We study thermal convection in a rotating fluid, with the ultimate goal of explaining the structure of convection zones in rotating stars and planets. We first derive mixing-length theory for rapidly-rotating convection, arriving at the results of Stevenson (1979) via simple physical arguments. The theory predicts the properties of convection as a function of the imposed heat flux and rotation rate, independent of microscopic diffusivities. In particular, it predicts the mean temperature gradient; the rms velocity and temperature fluctuations; and the size of the eddies that dominate heat transport. We test all of these predictions with high resolution three-dimensional hydrodynamical simulations. The results agree remarkably well with the theory across more than two orders of magnitude in rotation rate. For example, the temperature gradient is predicted to scale as the rotation rate to the 4/5th power at fixed flux, and the simulations yield $0.75\\pm 0.06$. We conclude that the mixing length theory is a soli...

  18. 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.

  19. 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.

  20. Nonlinear Coherent Directional Coupler: Coupled Mode Theory and BPM Simulation

    National Research Council Canada - National Science Library

    Kumbhakar, Dharmadas

    2012-01-01

    .... The coupling lengths derived from this simulation are compared with coupled mode theories. BPM results for the critical power follow the trend of the coupled mode theories, but it lies in between two coupled mode theories...

  1. Line active molecules promote inhomogeneous structures in membranes: theory, simulations and experiments.

    Science.gov (United States)

    Palmieri, Benoit; Yamamoto, Tetsuya; Brewster, Robert C; Safran, Samuel A

    2014-06-01

    We review recent theoretical efforts that predict how line-active molecules can promote lateral heterogeneities (or domains) in model membranes. This fundamental understanding may be relevant to membrane composition in living cells, where it is thought that small domains, called lipid rafts, are necessary for the cells to be functional. The theoretical work reviewed here ranges in scale from coarse grained continuum models to nearly atomistic models. The effect of line active molecules on domain sizes and shapes in the phase separated regime or on fluctuation length scales and lifetimes in the single phase, mixed regime, of the membrane is discussed. Recent experimental studies on model membranes that include line active molecules are also presented together with some comparisons with the theoretical predictions.

  2. Physics of collisionless shocks - theory and simulation

    CERN Document Server

    Novo, A Stockem; Fonseca, R A; Silva, L O

    2015-01-01

    Collisionless shocks occur in various fields of physics. In the context of space and astrophysics they have been investigated for many decades. However, a thorough understanding of shock formation and particle acceleration is still missing. Collisionless shocks can be distinguished into electromagnetic and electrostatic shocks. Electromagnetic shocks are of importance mainly in astrophysical environments and they are mediated by the Weibel or filamentation instability. In such shocks, charged particles gain energy by diffusive shock acceleration. Electrostatic shocks are characterized by a strong electrostatic field, which leads to electron trapping. Ions are accelerated by reflection from the electrostatic potential. Shock formation and particle acceleration will be discussed in theory and simulations.

  3. Galaxy alignments: Theory, modelling and simulations

    CERN Document Server

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

    2015-01-01

    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 large-scale structure tend to align the shapes and angular momenta of nearby galaxies. Additionally, events such as galaxy mergers affect the relative alignments 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 ...

  4. Comparing MMS Observations with Theory and Simulation

    Science.gov (United States)

    Moore, Thomas Earle; Burch, James L.; Torbert, Roy B.

    2016-04-01

    MMS completes its first year in orbit on 13 March 2016, and its science data set will by then be open to use by the entire research community, including theorists and simulators. We will briefly summarize observational highlights from the first year of MMS operations to illustrate the unprecedented accuracy and resolution of phenomena that have until now been inaccessible to observation, especially at electron scales. The goal of such observations has always been to test and refine our understanding of reconnection, as embodied in our theoretical and simulation models, with the goal of better predicting the morphology and dynamic evolution of reconnection as a driver of space weather. Toward that end, we summarize the MMS data products and suggest ways for the theory and modeling community to make contact with MMS observations and use them to test their models.

  5. An electric field-driven MIT in strongly-correlated thin-film superlattices: an inhomogeneous dynamical mean-field theory study

    Science.gov (United States)

    Bakalov, Petar; Locquet, Jean-Pierre

    Using an inhomogeneous dynamical mean-field theory (IDMFT) approach to the single-band Hubbard model we investigate the properties of thin-film superlattices made up of alternating strongly (U1) and weakly (U2 U2), superlattice parameters (L1 ,L2) and transverse electric field on the correlation driven Mott-Hubbard metal-to-insulator transition. We find that when the periodicity of the superlattice is such that the strongly correlated regions are below a certain thickness, the MIT is suppressed due to proximity effects. This work was partially funded by the Flemish Fund for Scientific Research (FWO - Vlaanderen) under FWO Grant G.0520.10 and by the SITOGA FP7 project. Most of the calculations were performed on KU Leuven's ThinKing HPC cluster.

  6. Simulations of supersymmetric Yang-Mills theory

    Energy Technology Data Exchange (ETDEWEB)

    Demmouche, K.; Farchioni, F.; Ferling, A.; Muenster, G.; Wuilloud, J. [Muenster Univ. (Germany); Montvay, I. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Scholz, E.E. [Fermi National Accelerator Lab., Batavia, IL (United States)

    2009-11-15

    Results of a numerical simulation concerning the low-lying spectrum of four-dimensional N = 1 SU(2) Supersymmetric Yang-Mills (SYM) theory on the lattice with light dynamical gluinos are reported. We use the tree-level Symanzik improved gauge action and Wilson fermions with stout smearing of the gauge links in the Wilson-Dirac operator. The configurations are produced with the Two-Step Polynomial Hybrid Monte Carlo (TS-PHMC) algorithm. We performed simulations on lattices up to a size of 24{sup 3}.48 at {beta}=1.6. Using QCD units with the Sommer scale being set to r{sub 0}=0.5 fm, the lattice spacing is about a {approx_equal}0.09 fm, and the spatial extent of the lattice corresponds to 2.1 fm to control finite size effects. At the lightest simulated gluino mass our results indicate a mass for the lightest gluino-glue bound state, which is considerably heavier than the values obtained for its possible superpartners. Whether supermultiplets are formed remains to be studied in upcoming simulations. (orig.)

  7. Simulating Human Cognitive Using Computational Verb Theory

    Institute of Scientific and Technical Information of China (English)

    YANGTao

    2004-01-01

    Modeling and simulation of a life system is closely connected to the modeling of cognition,especially for advanced life systems. The primary difference between an advanced life system and a digital computer is that the advanced life system consists of a body with mind while a digital computer is only a mind in a formal sense. To model an advanced life system one needs to symbols into a body where a digital computer is embedded. In this paper, a computational verb theory is proposed as a new paradigm of grounding symbols into the outputs of sensors. On one hand, a computational verb can preserve the physical "meanings" of the dynamics of sensor data such that a symbolic system can be used to manipulate physical meanings instead of abstract tokens in the digital computer. On the other hand, the physical meanings of an abstract symbol/token, which is usually an output of a reasoning process in the digital computer, can be restored and fed back to the actuators. Therefore, the computational verb theory bridges the gap between symbols and physical reality from the dynamic cognition perspective.

  8. 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. ...

  9. Coherent Synchrotron Radiation: Theory and Simulations.

    Energy Technology Data Exchange (ETDEWEB)

    Novokhatski, Alexander; /SLAC

    2012-03-29

    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

  10. Manifestations of Magnetic Field Inhomogeneities

    Indian Academy of Sciences (India)

    Lawrence Rudnick

    2011-12-01

    Both observations and simulations reveal large inhomogeneities in magnetic field distributions in diffuse plasmas. Incorporating these inhomogeneities into various calculations can significantly change the inferred physical conditions. In extragalactic sources, e.g., these can compromise analyses of spectral ageing, which I will illustrate with some current work on cluster relics. I also briefly re-examine the old issue of how inhomogeneous fields affect particle lifetimes; perhaps not surprisingly, the next generation of radio telescopes are unlikely to find many sources that can extend their lifetimes from putting relativistic electrons into a low-field ‘freezer’. Finally, I preview some new EVLA results on the complex relic in Abell 2256, with implications for the interspersing of its relativistic and thermal plasmas.

  11. 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

  12. Modeling three-dimensional flow about ellipsoidal inhomogeneities with application to flow to a gravel-packed well and flow through lens-shaped inhomogeneities

    Science.gov (United States)

    Fitts, Charles R.

    1991-05-01

    Analytic functions are superimposed to model three-dimensional steady groundwater flow in regions containing one or more Inhomogeneities shaped like prolate or oblate ellipsoids of revolution. Each function and the sum of such functions are solutions of Laplace's equation, the governing differential equation for steady groundwater flow. The functions are implemented in a manner that provides exact continuity of flow across the entire boundary of each inhomogeneity. In general, continuity of head is provided at specified control points on the boundary and is approximated between control points. For the case of one inhomogeneity in a uniform flow field, it turns out that there is exact continuity of head across the entire surface of the inhomogeneity. The method is implemented in a computer program written by the author. Two applications are demonstrated: (1) flow to a gravel-packed well and (2) flow through a series of lens-shaped inhomogeneities. The examples demonstrate that the approximation of continuity of head can be made acceptable for many problems. A possible application of the technique would be testing various theories regarding contaminant migration and dispersion by simulating flow and chemical diffusion through large numbers of lens-shaped inhomogeneities.

  13. The interactions between TiO2 and graphene with surface inhomogeneity determined using density functional theory.

    Science.gov (United States)

    Bukowski, Brandon; Deskins, N Aaron

    2015-11-28

    TiO2/graphene composites have shown promise as photocatalysts, leading to improved electronic properties. We have modeled using density functional theory TiO2/graphene interfaces formed between graphene with various defects/functional groups (C vacancy, epoxide, and hydroxyl) and TiO2 clusters of various sizes. We considered clusters from 3 to 45 atoms, the latter a nanoparticle of ∼1 nm in size. Our results show that binding to pristine graphene is dominated by van der Waals forces, and that C vacancies or epoxide groups lead to much stronger binding between the graphene and TiO2. Such sites may serve to anchor TiO2 to graphene. Graphene surfaces with hydroxyls however lead to OH transfer to TiO2 and weak interactions between the graphene and the hydroxylated TiO2 cluster. Charge transfer may occur between TiO2 and graphene in various directions (graphene to TiO2 or TiO2 to graphene), depending on the state of the graphene surface, based on overlap of the density of states. Our work indicates that graphene surface defects or functional groups may have a significant effect on the stability, structure, and photoactivity of these materials.

  14. Inhomogeneous Big Bang Cosmology

    CERN Document Server

    Wagh, S M

    2002-01-01

    In this letter, we outline an inhomogeneous model of the Big Bang cosmology. For the inhomogeneous spacetime used here, the universe originates in the infinite past as the one dominated by vacuum energy and ends in the infinite future as the one consisting of "hot and relativistic" matter. The spatial distribution of matter in the considered inhomogeneous spacetime is {\\em arbitrary}. Hence, observed structures can arise in this cosmology from suitable "initial" density contrast. Different problems of the standard model of Big Bang cosmology are also resolved in the present inhomogeneous model. This inhomogeneous model of the Big Bang Cosmology predicts "hot death" for the universe.

  15. Effects of Cloud Horizontal Inhomogeneity and Drizzle on Remote Sensing of Cloud Droplet Effective Radius: Case Studies Based on Large-eddy Simulations

    Science.gov (United States)

    Zhang, Zhibo; Ackerman, Andrew S.; Feingold, Graham; Platnick, Steven; Pincus, Robert; Xue, Huiwen

    2012-01-01

    This study investigates effects of drizzle and cloud horizontal inhomogeneity on cloud effective radius (re) retrievals from the Moderate Resolution Imaging Spectroradiometer (MODIS). In order to identify the relative importance of various factors, we developed a MODIS cloud property retrieval simulator based on the combination of large-eddy simulations (LES) and radiative transfer computations. The case studies based on synthetic LES cloud fields indicate that at high spatial resolution (100 m) 3-D radiative transfer effects, such as illumination and shadowing, can induce significant differences between retrievals ofre based on reflectance at 2.1 m (re,2.1) and 3.7 m (re,3.7). It is also found that 3-D effects tend to have stronger impact onre,2.1 than re,3.7, leading to positive difference between the two (re,3.72.1) from illumination and negative re,3.72.1from shadowing. The cancellation of opposing 3-D effects leads to overall reasonable agreement betweenre,2.1 and re,3.7 at high spatial resolution as far as domain averages are concerned. At resolutions similar to MODIS, however, re,2.1 is systematically larger than re,3.7when averaged over the LES domain, with the difference exhibiting a threshold-like dependence on bothre,2.1and an index of the sub-pixel variability in reflectance (H), consistent with MODIS observations. In the LES cases studied, drizzle does not strongly impact reretrievals at either wavelength. It is also found that opposing 3-D radiative transfer effects partly cancel each other when cloud reflectance is aggregated from high spatial resolution to MODIS resolution, resulting in a weaker net impact of 3-D radiative effects onre retrievals. The large difference at MODIS resolution between re,3.7 and re,2.1 for highly inhomogeneous pixels with H 0.4 can be largely attributed to what we refer to as the plane-parallelrebias, which is attributable to the impact of sub-pixel level horizontal variability of cloud optical thickness onre retrievals

  16. Inhomogeneous Cosmology with Numerical Relativity

    CERN Document Server

    Macpherson, Hayley J; Price, Daniel J

    2016-01-01

    We perform three-dimensional numerical relativity simulations of homogeneous and inhomogeneous expanding spacetimes, with a view towards quantifying non-linear effects from cosmological inhomogeneities. We demonstrate fourth-order convergence with errors less than one part in 10^6 in evolving a flat, dust Friedmann-Lemaitre-Roberston-Walker (FLRW) spacetime using the Einstein Toolkit within the Cactus framework. We also demonstrate agreement to within one part in 10^3 between the numerical relativity solution and the linear solution for density, velocity and metric perturbations in the Hubble flow over a factor of ~350 change in scale factor (redshift). We simulate the growth of linear perturbations into the non-linear regime, where effects such as gravitational slip and tensor perturbations appear. We therefore show that numerical relativity is a viable tool for investigating nonlinear effects in cosmology.

  17. Inhomogeneous Fragmentation of the Rolling Tachyon

    OpenAIRE

    Felder, Gary N; Kofman, Lev

    2004-01-01

    Dirac-Born-Infeld type effective actions reproduce many aspects of string theory classical tachyon dynamics of unstable Dp-branes. The inhomogeneous tachyon field rolling from the top of its potential forms topological defects of lower codimensions. In between them, as we show, the tachyon energy density fragments into a p-dimensional web-like high density network evolving with time. We present an analytic asymptotic series solution of the non-linear equations for the inhomogeneous tachyon an...

  18. Inhomogeneous recombinations during cosmic reionization

    OpenAIRE

    Sobacchi, Emanuele; Mesinger, Andrei

    2014-01-01

    By depleting the ionizing photon budget available to expand cosmic HII regions, recombining systems (or Lyman limit systems) can have a large impact during (and following) cosmic reionization. Unfortunately, directly resolving such structures in large-scale reionization simulations is computationally impractical. Instead, here we implement a sub-grid prescription for tracking inhomogeneous recombinations in the intergalactic medium. Building on previous work parameterizing photo-heating feedb...

  19. Shear viscosity of the $\\Phi^4$ theory from classical simulation

    CERN Document Server

    Homor, M M

    2015-01-01

    Shear viscosity of the classical $\\Phi^4$ theory is measured using classical microcanonical simulation. To calculate the Kubo formula, we measure the energy-momentum tensor correlation function, and apply the Green-Kubo relation. Being a classical theory, the results depend on the cutoff which should be chosen in the range of the temperature. Comparison with experimentally accessible systems is also performed.

  20. 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…

  1. The Schlueter distribution: theory and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Shutler, P M E; Springham, S V; Martinez, J C [National Institute of Education, Nanyang Technological University, 1 Nanyang Walk, Singapore 637616 (Singapore)

    2007-11-15

    The distribution of molecular speeds for a hard spheres gas in the microcanonical ensemble follows the Schlueter distribution when the number of molecules is small, converging to the classical Maxwell distribution in the large number limit. We present a derivation of the Schlueter distribution, obtained from Khinchin's derivation of the factorization of the density of states, which is simpler and shorter than those currently available. We also verify its predictions for three-dimensional (3D) hard spheres using a desktop computer simulation, whereas previous studies have simulated only 2D hard discs.

  2. Theory and simulations of quantum glass forming liquids.

    Science.gov (United States)

    Markland, Thomas E; Morrone, Joseph A; Miyazaki, Kunimasa; Berne, B J; Reichman, David R; Rabani, Eran

    2012-02-21

    A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as reentrant behavior of dynamical relaxation times. These predictions are supported by path integral ring polymer molecular dynamics simulations. The simulations provide detailed insight into the factors that govern slow dynamics in glassy quantum fluids. Connection to other recent work on both quantum glasses as well as quantum optimization problems is presented.

  3. 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 ...

  4. Waves in inhomogeneous media

    NARCIS (Netherlands)

    Gerritsen, S.

    2007-01-01

    In this thesis we study wave propagation in inhomogeneous media. Examples of the classical (massless) waves we consider are acoustic waves (sound) and electromagnetic waves (light, for example). Interaction with inhomogeneities embedded in a reference medium alter the propagation direction, velocity

  5. Waves in inhomogeneous media

    NARCIS (Netherlands)

    Gerritsen, S.

    2007-01-01

    In this thesis we study wave propagation in inhomogeneous media. Examples of the classical (massless) waves we consider are acoustic waves (sound) and electromagnetic waves (light, for example). Interaction with inhomogeneities embedded in a reference medium alter the propagation direction, velocity

  6. A study of the propagation of ulf electromagnetic fields in collisional, inhomogeneous, magnetized plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Borovsky, J.E.

    1987-02-01

    The propagation of ultralow-frequency (ulf) electromagnetic signals (Alfven and magnetosonic waves) in collisional, inhomogeneous, magnetized plasmas is analyzed by numerical simulation. The problem is formulated from a Maxwell-equation orbit-theory approach rather than from a magnetohydrodynamic point of view, and the problem is numerically treated in a fully time-dependent manner. Boundary-value-problem behavior is distinguished from initial-value-problem behavior. The propagation of two-dimensional small-amplitude electromagnetic disturbances in plasmas with spatially dependent densities and in plasmas with spatially dependent conductivities is numerically simulated, and when possible, the simulations are compared with theory. Changes in the plasma density lead to changes in the signal speed and to reflections; collisions lead to changes in the signal speed, to reflections, and to attenuations. Theoretical descriptions based upon discontinuities in the media are generally incorrect in predicting the amplitudes of signals reflected from plasma inhomogeneities. 19 refs., 16 figs.

  7. Simulations of Solar System observations in alternative theories of gravity

    CERN Document Server

    Hees, A; Reynaud, S; Jaekel, M -T; Poncin-Lafitte, C Le; Lainey, V; Füzfa, A; Courty, J -M; Dehant, V; Wolf, P

    2013-01-01

    In this communication, we focus on the possibility to test General Relativity (GR) with radioscience experiments. We present simulations of observables performed in alternative theories of gravity using a software that simulates Range/Doppler signals directly from the space time metric. This software allows one to get the order of magnitude and the signature of the modifications induced by an alternative theory of gravity on radioscience signals. As examples, we present some simulations for the Cassini mission in Post-Einsteinian gravity (PEG) and with Standard Model Extension (SME).

  8. 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.

  9. 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.

  10. 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

  11. Inhomogenous quantum codes (Ⅰ):additive case

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In this paper,the quantum error-correcting codes are generalized to the inhomogenous quantumstate space Cq1  Cq2 ··· Cqn,where qi(1 i n) are arbitrary positive integers.By attaching an abelian group Ai of order qi to the space Cqi(1 i n),we present the stabilizer construction of such inhomogenous quantum codes,called additive quantum codes,in term of the character theory of the abelian group A = A1⊕A2⊕···⊕An.As usual case,such construction opens a way to get inhomogenous quantum codes from the classical mixed linear codes.We also present Singleton bound for inhomogenous additive quantum codes and show several quantum codes to meet such bound by using classical mixed algebraic-geometric codes.

  12. Reionization of an Inhomogeneous Universe

    CERN Document Server

    Umemura, M; Susa, H

    2001-01-01

    Full radiative transfer in 3D space has been solved to pursue the reionization history in an inhomogeneous universe. It has been shown that the reionization of an inhomogeneous universe is not a prompt event, but a fairly slow process. Also, QSO absorption line systems are simulated with using the results of radiative transfer calculations. Ly$\\alpha$ continuum depression implies that the metagalactic UV intensity decreases rapidly with $z$ at $z>5$, and the reionization must have taken place between $z=6$ and 10. Finally, it is stressed that H$\\alpha$ forest is a more powerful tool to probe the reionization history and the density fluctuations in the universe at $z>5$.

  13. 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…

  14. MSTS - Multiphase Subsurface Transport Simulator theory manual

    Energy Technology Data Exchange (ETDEWEB)

    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 Reference{close_quotes} companion document.

  15. Microscopic molecular superfluid response: theory and simulations

    Science.gov (United States)

    Zeng, Tao; Roy, Pierre-Nicholas

    2014-04-01

    Since its discovery in 1938, superfluidity has been the subject of much investigation because it provides a unique example of a macroscopic manifestation of quantum mechanics. About 60 years later, scientists successfully observed this phenomenon in the microscopic world though the spectroscopic Andronikashvili experiment in helium nano-droplets. This reduction of scale suggests that not only helium but also para-H2 (pH2) can be a candidate for superfluidity. This expectation is based on the fact that the smaller number of neighbours and surface effects of a finite-size cluster may hinder solidification and promote a liquid-like phase. The first prediction of superfluidity in pH2 clusters was reported in 1991 based on quantum Monte Carlo simulations. The possible superfluidity of pH2 was later indirectly observed in a spectroscopic Andronikashvili experiment in 2000. Since then, a growing number of studies have appeared, and theoretical simulations have been playing a special role because they help guide and interpret experiments. In this review, we go over the theoretical studies of pH2 superfluid clusters since the experiment of 2000. We provide a historical perspective and introduce the basic theoretical formalism along with key experimental advances. We then present illustrative results of the theoretical studies and comment on the possible future developments in the field. We include sufficient theoretical details such that the review can serve as a guide for newcomers to the field.

  16. Continuum Edge Gyrokinetic Theory and Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Xu, X Q; Xiong, Z; Dorr, M R; Hittinger, J A; Bodi, K; Candy, J; Cohen, B I; Cohen, R H; Colella, P; Kerbel, G D; Krasheninnikov, S; Nevins, W M; Qin, H; Rognlien, T D; Snyder, P B; Umansky, M V

    2007-01-09

    The following results are presented from the development and application of TEMPEST, a fully nonlinear (full-f) five dimensional (3d2v) gyrokinetic continuum edge-plasma code. (1) As a test of the interaction of collisions and parallel streaming, TEMPEST is compared with published analytic and numerical results for endloss of particles confined by combined electrostatic and magnetic wells. Good agreement is found over a wide range of collisionality, confining potential, and mirror ratio; and the required velocity space resolution is modest. (2) In a large-aspect-ratio circular geometry, excellent agreement is found for a neoclassical equilibrium with parallel ion flow in the banana regime with zero temperature gradient and radial electric field. (3) The four-dimensional (2d2v) version of the code produces the first self-consistent simulation results of collisionless damping of geodesic acoustic modes and zonal flow (Rosenbluth-Hinton residual) with Boltzmann electrons using a full-f code. The electric field is also found to agree with the standard neoclassical expression for steep density and ion temperature gradients in the banana regime. In divertor geometry, it is found that the endloss of particles and energy induces parallel flow stronger than the core neoclassical predictions in the SOL. (5) Our 5D gyrokinetic formulation yields a set of nonlinear electrostatic gyrokinetic equations that are for both neoclassical and turbulence simulations.

  17. Evolution of electron hole propating in inhomogeneous plasma

    Science.gov (United States)

    Dokgo, K.; Woo, M.; Choi, C.; Min, K. W.; Hwang, J.

    2014-12-01

    The evolution of electron hole (EH) propagation in the presence of plasma density inhomogeneity is investigated by both particle-in-cell (PIC) simulation and theory. At the beginning of simulation, EH is generated by plasma blob injection. When EH passes inhomogeneous plasma region, the EH potential (1st order) increases monotonically in proportion to the background plasma density (0th order). With this 1st order growth, 2nd order back and forth oscillations of the potential are observed in faster time scale compared to EH propagation time scale. A bulk motion of trapped electrons due to density gradient produces these potential oscillations and the frequency of 2nd order oscillation is found to be comparable to the bouncing frequency of these trapped particles. Using the theoretical technique introduced by Schwarzmeier, we discovered a normal mode localized in the 1st order EH potential with frequency comparable to average bounce frequency of trapped particle. Such mode has an odd symmetry that is exactly consistent with simulation result. Furthermore, ions are pushed backward in coherence with 2nd order potential in simulation. These coherent ions form into a train of backward propagating ion acoustic solitary waves (IASWs) that evolve to ion hole in simulation. Finally, EH starts to dissipate by nonlinear Landau damping and converge to another stable EH as it reaches high-density, homogenous region.

  18. Theory, modeling and simulation of superconducting qubits

    Energy Technology Data Exchange (ETDEWEB)

    Berman, Gennady P [Los Alamos National Laboratory; Kamenev, Dmitry I [Los Alamos National Laboratory; Chumak, Alexander [INSTIT OF PHYSICS, KIEV; Kinion, Carin [LLNL; Tsifrinovich, Vladimir [POLYTECHNIC INSTIT OF NYU

    2011-01-13

    We analyze the dynamics of a qubit-resonator system coupled with a thermal bath and external electromagnetic fields. Using the evolution equations for the set of Heisenberg operators that describe the whole system, we derive an expression for the resonator field, that includes the resonator-drive, the resonator-bath, and resonator-qubit interactions. The renormalization of the resonator frequency, caused by the qubit-resonator interaction, is accounted for. Using the solutions for the resonator field, we derive the equation that describes the qubit dynamics. The dependence of the qubit evolution during the measurement time on the fidelity of a single-shot measurement is studied. The relation between the fidelity and measurement time is shown explicitly. We proposed a novel adiabatic method for the phase qubit measurement. The method utilizes a low-frequency, quasi-classical resonator inductively coupled to the qubit. The resonator modulates the qubit energy, and the back reaction of the qubit causes a shift in the phase of the resonator. The resonator phase shift can be used to determine the qubit state. We have simulated this measurement taking into the account the energy levels outside the phase qubit manifold. We have shown that, for qubit frequencies in the range of 8-12GHZ, a resonator frequency of 500 MHz and a measurement time of 100 ns, the phase difference between the two qubit states is greater than 0.2 rad. This phase difference exceeds the measurement uncertainty, and can be detected using a classical phase-meter. A fidelity of 0.9999 can be achieved for a relaxation time of 0.5 ms. We also model and simulate a microstrip-SQUID amplifier of frequency about 500 MHz, which could be used to amplify the resonator oscillations in the phase qubit adiabatic measurement. The voltage gain and the amplifier noise temperature are calculated. We simulate the preparation of a generalized Bell state and compute the relaxation times required for achieving high

  19. Theory, modeling and simulation of superconducting qubits

    Energy Technology Data Exchange (ETDEWEB)

    Berman, Gennady P [Los Alamos National Laboratory; Kamenev, Dmitry I [Los Alamos National Laboratory; Chumak, Alexander [INSTIT OF PHYSICS, KIEV; Kinion, Carin [LLNL; Tsifrinovich, Vladimir [POLYTECHNIC INSTIT OF NYU

    2011-01-13

    We analyze the dynamics of a qubit-resonator system coupled with a thermal bath and external electromagnetic fields. Using the evolution equations for the set of Heisenberg operators that describe the whole system, we derive an expression for the resonator field, that includes the resonator-drive, the resonator-bath, and resonator-qubit interactions. The renormalization of the resonator frequency, caused by the qubit-resonator interaction, is accounted for. Using the solutions for the resonator field, we derive the equation that describes the qubit dynamics. The dependence of the qubit evolution during the measurement time on the fidelity of a single-shot measurement is studied. The relation between the fidelity and measurement time is shown explicitly. We proposed a novel adiabatic method for the phase qubit measurement. The method utilizes a low-frequency, quasi-classical resonator inductively coupled to the qubit. The resonator modulates the qubit energy, and the back reaction of the qubit causes a shift in the phase of the resonator. The resonator phase shift can be used to determine the qubit state. We have simulated this measurement taking into the account the energy levels outside the phase qubit manifold. We have shown that, for qubit frequencies in the range of 8-12GHZ, a resonator frequency of 500 MHz and a measurement time of 100 ns, the phase difference between the two qubit states is greater than 0.2 rad. This phase difference exceeds the measurement uncertainty, and can be detected using a classical phase-meter. A fidelity of 0.9999 can be achieved for a relaxation time of 0.5 ms. We also model and simulate a microstrip-SQUID amplifier of frequency about 500 MHz, which could be used to amplify the resonator oscillations in the phase qubit adiabatic measurement. The voltage gain and the amplifier noise temperature are calculated. We simulate the preparation of a generalized Bell state and compute the relaxation times required for achieving high

  20. 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 .

  1. Inhomogeneous electromagnetic gravitational collapse

    Energy Technology Data Exchange (ETDEWEB)

    Stein-Schabes, J.A.

    1985-04-15

    The collapse of an inhomogeneous dust cloud in the presence of an electromagnetic field is investigated in detail. The possibility of a naked singularity arising is studied using some known solutions for a spherical charged inhomogeneous dust cloud. It is found that locally naked singularities may develop when the arbitrary functions in the solution are chosen in a special way, but that a global naked singularity will not form. Also the role of the electromagnetic pressure is discussed.

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

    Science.gov (United States)

    Burke, Helen; Mancuso, Lorraine

    2012-10-01

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

  3. Impact of cloud inhomogeneity on bi-directional reflectance

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    This paper uses SHDOM(Spherical Harmonics Discrete Ordinate Method)to calculate the nadir bidirectionaI reflectanee distribution function(BRDF)of the cumulus and stratocumulus fields at the wavelengths of 0.67 μm and 2.13 μm,and discusses the impact of cloud inhomogeneity on BRDF.The cloud fields are adopted from 13RC Phase Ⅱ.which are used to compare 3D radiative transfer models.The simulation results show that the cu field has 6% abnormal BRDF values(BRDF>1)with the increase of solar zenith angle.Further analyses show that grid cells whose BRDF is greater than one gather together at the locaI trough of the top of cloud.These regions can receive not only the direct incident solar beam,but also the beam scattered by the higher cloud of its neighborhood.Hence,the BRDF of those regions is enhanced.The abnormal BRDF phenomenon shows that the cloud inhomogeneity can result in inconsistency between satellite observation and plane parallel theory,implying that the reflectance observed by high resolution satellite is maybe enhanced by the cloud 3D effects.Thus one should take this fact into account when using the product retrieved by these data.The dominant solar zenith angles are quite large in the mid-high altitude area,and the impact of cloud inhomogeneity on these areas may be more significant.

  4. Theory and simulation of strong correlations in quantum Coulomb systems

    CERN Document Server

    Bonitz, M; Filinov, A V; Golubnychiy, V O; Kremp, D; Gericke, D O; Murillo, M S; Filinov, V S; Fortov, V; Hoyer, W; Koch, S W

    2003-01-01

    Strong correlations in quantum Coulomb systems (QCS) are attracting increasing interest in many fields ranging from dense plasmas and semiconductors to metal clusters and ultracold trapped ions. Examples are bound states in dense plasmas (atoms, molecules, clusters) and semiconductors (excitons, trions, biexcitons) or Coulomb crystals. We present first-principle simulation results of these systems including path integral Monte Carlo simulations of the equilibrium behaviour of dense hydrogen and electron-hole plasmas and molecular dynamics and quantum kinetic theory simulations of the nonequilibrium properties of QCS. Finally, we critically assess potential and limitations of the various methods in their application to Coulomb systems.

  5. Geometry model construction in infrared image theory simulation of buildings

    Institute of Scientific and Technical Information of China (English)

    谢鸣; 李玉秀; 徐辉; 谈和平

    2004-01-01

    Geometric model construction is the basis of infrared image theory simulation. Taking the construction of the geometric model of one building in Harbin as an example, this paper analyzes the theoretical groundings of simplification and principles of geometric model construction of buildings. It then discusses some particular treatment methods in calculating the radiation transfer coefficient in geometric model construction using the Monte Carlo Method.

  6. Insights from theory and simulation on the electrical double layer.

    Science.gov (United States)

    Henderson, Douglas; Boda, Dezso

    2009-05-28

    Despite the fact that our conceptual understanding of the electrical double layer has advanced during the past few decades, the interpretation of experimental and applied work is still largely based on the venerable Poisson-Boltzmann theory of Gouy, Chapman and Stern. This is understandable since this theory is simple and analytic. However, it is not very accurate because the atomic/molecular nature of the ions/solvent and their correlations are ignored. Simulation and some theoretical studies by ourselves and others that have advanced our understanding are discussed. These studies show that the GCS theory predicts a narrow double layer with monotonic profiles. This is not correct. The double layer is wider, and there can be substantial layering that would be even more pronounced if explicit solvent molecules are considered. For many years, experimental studies of the double layer have been directed to the use of electrochemistry as an analytical tool. This is acceptable for analytic chemistry studies. However, the understanding of electrochemical reactions that typically occur at the electrode surface, where simulation and theory indicate that the GCS theory can have substantial errors, requires modern approaches. New, fundamental experimental studies that would lead to deeper insights using more novel systems would be desirable. Further, biophysics is an interesting field. Recent studies of the selectivity of ion channels and of the adsorption of ions in a binding sites of a protein have shown that the linearized GCS theory has substantial errors.

  7. Theory and practice of simulation of optical tweezers

    Science.gov (United States)

    Bui, Ann A. M.; Stilgoe, Alexander B.; Lenton, Isaac C. D.; Gibson, Lachlan J.; Kashchuk, Anatolii V.; Zhang, Shu; Rubinsztein-Dunlop, Halina; Nieminen, Timo A.

    2017-07-01

    Computational modelling has made many useful contributions to the field of optical tweezers. One aspect in which it can be applied is the simulation of the dynamics of particles in optical tweezers. This can be useful for systems with many degrees of freedom, and for the simulation of experiments. While modelling of the optical force is a prerequisite for simulation of the motion of particles in optical traps, non-optical forces must also be included; the most important are usually Brownian motion and viscous drag. We discuss some applications and examples of such simulations. We review the theory and practical principles of simulation of optical tweezers, including the choice of method of calculation of optical force, numerical solution of the equations of motion of the particle, and finish with a discussion of a range of open problems.

  8. Numerical simulation of plastic behavior and meso inhomogeneous deformation in AZ31 Mg alloy%AZ31镁合金晶体塑性行为与细观非均匀变形的数值模拟

    Institute of Scientific and Technical Information of China (English)

    蓝永庭; 陆大敏; 刘贵龙; 苏莹; 张克实

    2014-01-01

    The constitutive relation of Mg alloy was established with the crystal plasticity theory based on the mechanisms of slip and twinning deformations. The hardening functions of slip and twinning deformations were proposed in consideration of the interaction between the slip and twinning deformation. The numerical simulation and meso analysis for AZ31 Mg alloy under the uniaxial loading were carried out using the above constitutive relation and the hardening functions associated with a representative volume element (RVE) consisting of Voronoi polycrystalline aggregation. By comparing the simulation results and the experimental data, the present method is verified feasible to predict reasonably the macroscopic yield behavior, the hardening evolution and the polycrystalline texture evolution. The reasonable estimations for inhomogeneous rotation of grain orientation and the twin volume fraction in the polycrystalline can be attained. The results show that, the macroscopic plastic behavior of Mg alloy depends on the competitive result of activation slip and twinning systems; the tension twin deformation is the primary reason to the formation of typical (0001) basal texture in the polycrystalline; and the twin deformation leads to extremely inhomogeneous distribution for the orientation deflection and the twin volume fraction in the polycrystalline.%同时考虑滑移与孪生变形机制,在晶体塑性理论基础上建立镁合金晶体本构关系,分别提出滑移与孪生变形的硬化函数,并考虑滑移与孪生变形间的交互作用;结合Voronoi多晶集合体代表性体积单元(RVE),对AZ31镁合金材料在单轴加载情形下进行数值模拟实验及细观分析。比较模拟结果与实验数据表明:采用晶体塑性本构关系及硬化函数能够合理预测镁合金宏观屈服行为、硬化演化与多晶织构演化,并可合理估计多晶体内的晶粒取向不均匀转动及晶粒内产生孪晶的体积分数分布

  9. Performance of a distributed DCA algorithm under inhomogeneous traffic modelled from an operational GSM network

    NARCIS (Netherlands)

    Kennedy, K.D.; Vries, E.T. de; Koorevaar, P.

    1998-01-01

    This paper presents results obtained from two different Dynamic Channel Allocation (DCA) algorithms, namely the Timid and Persistent Polite Aggressive (PPA) algorithms, simulated under both static homogeneous and dynamic inhomogeneous traffic. The dynamic inhomogeneous traffic is modelled upon real

  10. 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.

  11. Wakes in inhomogeneous plasmas

    CERN Document Server

    Kompaneets, Roman; Nosenko, Vladimir; Morfill, Gregor E

    2014-01-01

    The Debye shielding of a charge immersed in a flowing plasma is an old classic problem in plasma physics. It has been given renewed attention in the last two decades in view of experiments with complex plasmas, where charged dust particles are often levitated in a region with strong ion flow. Efforts to describe the shielding of the dust particles in such conditions have been focused on the homogeneous plasma approximation, which ignores the substantial inhomogeneity of the levitation region. We address the role of the plasma inhomogeneity by rigorously calculating the point charge potential in the collisionless Bohm sheath. We demonstrate that the inhomogeneity can dramatically modify the wake, making it non-oscillatory and weaker.

  12. Theory and practice of construction simulation for high rockfill dam

    Institute of Scientific and Technical Information of China (English)

    ZHONG; DengHua; ZHANG; Ping; WU; KangXin

    2007-01-01

    Construction simulation for high rockfill dam (CSHRD) is the technology that takes advantage of computer simulation to observe and analyze a complex construction process,which is useful for construction design and management.In this paper,the domestic and oversea research status of CSHRD is reviewed firstly,along with introduction of their present achievementa and deficiencies,and the CSHRD theory is also described.Then,considering the influence of many stochastic factors,integrated simulation for high rockfill dam construction (HRDC) is presented with technologies of cycle operation network (CYCLONE) and computer simulation.it rationally combines two subsystems in HRDC,namely haulage and placement of rockfill subsystem,which reflects the actual construction objectively.important parameters,such as the haulage intensity and traffic density,are obtained,and the process of CSHRD is represented intuitively in dynamic visualization.All of these help engineers to make rapid decisions in HRDC scientifically.

  13. 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

  14. 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.

  15. Diffuse optical tomography using intensity measurements and the a priori acquired regions of interest: theory and simulations

    Energy Technology Data Exchange (ETDEWEB)

    Kanmani, B; Vasu, R M [Department of Instrumentation, Indian Institute of Science, Bangalore 560 012 (India)

    2005-01-21

    Light transmission data collected around an object show large variation with source-detector separation owing to the presence of single or multiple inhomogeneous regions in the object. This variation in the measured intensity is made use of to reconstruct regions of the inhomogeneous inclusions. In addition, it is possible to select a set of data from the above which is most likely least affected by the presence of the inhomogeneity, and estimate reasonably accurately the background optical properties from it. The reconstructed region is found to always contain the inhomogeneity and is of size approximately 140% by area of the inhomogeneity. With the regions to be reconstructed a priori known, a model-based iterative reconstruction procedure for reconstructing the optical properties of the region converged five times faster than without such information. It is also shown that whereas for the full object, a view-based propagation-backpropagation reconstruction procedure failed to converge, owing to large underdeterminacy of the problem, a smaller problem attempting to reconstruct a priori specified regions of interest converged and did so faster than a non-view-based approach for similar objects. Reconstruction results are presented from simulated transmitted intensity data from the following objects with regions of inhomogeneity in both absorption and scattering: (i) single centrally located inhomogeneity, (ii) two off-centred inhomogeneous regions of equal size and contrast (iii) two off-centred inhomogeneous regions of unequal size and equal contrast and (iv) two off-centred inhomogeneous regions of unequal size and contrast. Whereas the model-based iterative image reconstruction procedure gave good convergence in the first, second and third cases, in the fourth case the reconstructions failed to recover the exact numerical value of the optical properties in the higher contrast region.

  16. 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.

  17. 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......, Mol. Simul. 33 (4–5) (2007) 449–457.]. The new one has advantages for systems with data points at dilute conditions. Prediction of bubble point pressures using parameters from the two objective functions are compared with experimental data for the binary mixtures methyl acetate–n-pentane and methyl...

  18. Simulation of Kinematics of Special Theory of Relativity

    CERN Document Server

    Matveev, V N

    2012-01-01

    The principles of the special theory of relativity are extremely simple. A knowledge of the Pythagorean theorem and an ability to perform the simplest algebraic operations are sufficient to be conversant with the kinematics of the special theory of relativity, as well as the time dilation and contraction of the longitudinal dimensions of moving bodies that are associated with relative motion. However, the simplicity of the fundamentals of the theory of relativity are in surprising contrast with the difficulty of the perception and at times the total nonacceptance of the consequences of the special theory of relativity by skeptics based on ordinary common sense. The authors of certain popular books on the theory of relativity explain the existence of this contrast by way of the fact that the common sense of skeptics cut its teeth on a "stark notion of our everyday life". The special theory of relativity is simulated in this article based on the simplest examples of the movement of barges, shuttles, and boats i...

  19. Simulation and quasilinear theory of aperiodic ordinary mode instability

    Energy Technology Data Exchange (ETDEWEB)

    Seough, Jungjoon [Faculty of Human Development, University of Toyama, 3190, Gofuku, Toyama City, Toyama 930-8555 (Japan); International Research Fellow of the Japan Society for the Promotion of Science, Tokyo (Japan); Yoon, Peter H. [Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 (United States); School of Space Research, Kyung Hee University, Yongin-Si, Gyeonggi-Do 446-701 (Korea, Republic of); Hwang, Junga [Korea Astronomy and Space Science Institute, Daejeon (Korea, Republic of); Department of Astronomy and Space Science, University of Science and Technology, Daejeon (Korea, Republic of); Nariyuki, Yasuhiro [Faculty of Human Development, University of Toyama, 3190, Gofuku, Toyama City, Toyama 930-8555 (Japan)

    2015-08-15

    The purely growing ordinary (O) mode instability driven by excessive parallel temperature anisotropy for high-beta plasmas was first discovered in the 1970s. This instability receives renewed attention because it may be applicable to the solar wind plasma. The electrons in the solar wind feature temperature anisotropies whose upper values are apparently limited by plasma instabilities. The O-mode instability may be important in this regard. Previous studies of O mode instability have been based on linear theory, but the actual solar wind electrons may be in saturated state. The present paper investigates the nonlinear saturation behavior of the O mode instability by means of one-dimensional particle-in-cell simulation and quasilinear theory. It is shown that the quasilinear method accurately reproduces the simulation results.

  20. Information Security Analysis Using Game Theory and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Schlicher, Bob G [ORNL; Abercrombie, Robert K [ORNL

    2012-01-01

    Information security analysis can be performed using game theory implemented in dynamic simulations of Agent Based Models (ABMs). Such simulations can be verified with the results from game theory analysis and further used to explore larger scale, real world scenarios involving multiple attackers, defenders, and information assets. Our approach addresses imperfect information and scalability that allows us to also address previous limitations of current stochastic game models. Such models only consider perfect information assuming that the defender is always able to detect attacks; assuming that the state transition probabilities are fixed before the game assuming that the players actions are always synchronous; and that most models are not scalable with the size and complexity of systems under consideration. Our use of ABMs yields results of selected experiments that demonstrate our proposed approach and provides a quantitative measure for realistic information systems and their related security scenarios.

  1. Cosmological Perturbation Theory to second order for curvature, density, and gravity waves on FRW background; and the WMAP results of inhomogeneity and clustering in the early universe

    CERN Document Server

    Patwardhan, Ajay; Kumar, M S R

    2008-01-01

    The second order perturbation calculations for gravity wave and Einstein equation for space time and matter are presented for the FRW metric cosmological model. While exact equations are found, suitable approximations are made to obtain definite results. In the gravity wave case the small wavelength case allows nearly locally flat background for obtaining a fit to the WMAP data. In the density and curvature case the FRW background is retained for the length scale of WMAP. Clustering and inhomogeneity are understood. The gravity wave ripples from Big Bang couple nonlinearly and redistribute the modes to higher values of 'l' giving consistency with the WMAP results. The order by order consistency of Einstein equations relate the second order perturbations in the curvature and density and the wrinkles in spacetime caused by the gravity wave modes reorganize these distributions. The radiation data of WMAP gives the picture of a FRW spacetime deformed and wrinkled consistent with matter distribution to one hundred...

  2. 非奇次空间动态极值估计的模型与应用%The Model and Application of the Inhomogeneous Time Dynamic Extreme Value Theory

    Institute of Scientific and Technical Information of China (English)

    胡斌; 邹辉文

    2012-01-01

    inpractical applications.The theoretical model studied in this paper is based on the traditional EVT. First, the role of time factor in the extreme state cannot be ignored because extreme time may imply a lot of information, and exceeded time series can provide the strength and intensity of extreme events and many other useful information. Hence, we discuss the moment of occurrence of extreme conditions and extreme data together. Introducing time variable on the basis of extreme data over the threshold, we use the two-dimensional Poisson process of time-varying parameters with multiple explanatory variables to set up inhomogeneoua space mode. An inhomogeneous time dynamic Extreme value theory (ITD-EVT) is proposed.In the first section, the theoretical background of the model and model hypothesis are discussed. In order to highlight the time-varying parameters, we introduce the volatility of the negative logarithm of return as the explanatory variable for reference, because these explanatory variables will certainly affect the behavior characteristics of the parameters in extreme value distribution. The most critical is the assumption that the three parameters^:, a, /3 are time-varying and also has a linear function of explanatory variables. Then, the joint distribution function of the exceeding times over the threshold and its Corresponding rate of return (ts, r, ) are discussed. Simulating jump behavior at this point with two-dimensional Poisson distribution, its intensity function is obtained. This enables us to derive the likelihood function in two-dimensional space. Finally, the parameters for the maximum likelihood function are estimated and three parameters estimates are obtained.The second part tests the models from three respects, including the over-subscription rale lest, the excess distribution test and the independence test, and empirical analysis is carried out based on 3889 typical data of the Chinese stock market containing many extreme events, including Asian

  3. 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.

  4. Simulating thimble regularization of lattice quantum field theories

    CERN Document Server

    Di Renzo, Francesco

    2016-01-01

    Monte Carlo simulations of lattice quantum field theories on Lefschetz thimbles are non trivial. We discuss a new Monte Carlo algorithm based on the idea of computing contributions to the functional integral which come from complete flow lines. The latter are the steepest ascent paths attached to critical points, i.e. the basic building blocks of thimbles. The measure to sample is thus dictated by the contribution of complete flow lines to the partition function. The algorithm is based on a heat bath sampling of the gaussian approximation of the thimble: this defines the proposals for a Metropolis-like accept/reject step. The effectiveness of the algorithm has been tested on a few models, e.g. the chiral random matrix model. We also discuss thimble regularization of gauge theories, and in particular the successfull application to 0+1 dimensional QCD and the status and prospects for Yang-Mills theories.

  5. A Formulation of Lattice Gauge Theories for Quantum Simulations

    CERN Document Server

    Zohar, Erez

    2014-01-01

    We examine the Kogut-Susskind formulation of lattice gauge theories under the light of fermionic and bosonic degrees of freedom that provide a description useful to the development of quantum simulators of gauge invariant models. We consider both discrete and continuous gauge groups and adopt a realistic multi-component Fock space for the definition of matter degrees of freedom. In particular, we express the Hamiltonian of the gauge theory and the Gauss law in terms of Fock operators. The gauge fields are described in two different bases, based on either group elements or group representations. This formulation allows for a natural scheme to achieve a consistent truncation of the Hilbert space for continuous groups, and provides helpful tools to study the connections of gauge theories with topological quantum double and string-net models for discrete groups. Several examples, including the case of the discrete $D_3$ gauge group, are presented.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  7. Lattice gauge theory simulations in the quantum information era

    Science.gov (United States)

    Dalmonte, M.; Montangero, S.

    2016-07-01

    The many-body problem is ubiquitous in the theoretical description of physical phenomena, ranging from the behaviour of elementary particles to the physics of electrons in solids. Most of our understanding of many-body systems comes from analysing the symmetric properties of Hamiltonian and states: the most striking examples are gauge theories such as quantum electrodynamics, where a local symmetry strongly constrains the microscopic dynamics. The physics of such gauge theories is relevant for the understanding of a diverse set of systems, including frustrated quantum magnets and the collective dynamics of elementary particles within the standard model. In the last few years, several approaches have been put forward to tackle the complex dynamics of gauge theories using quantum information concepts. In particular, quantum simulation platforms have been put forward for the realisation of synthetic gauge theories, and novel classical simulation algorithms based on quantum information concepts have been formulated. In this review, we present an introduction to these approaches, illustrating the basics concepts and highlighting the connections between apparently very different fields, and report the recent developments in this new thriving field of research.

  8. The Inhomogeneous Hall's Ray

    OpenAIRE

    Crisp, D J; W Moran; Pollington, A. D.

    2012-01-01

    We show that the inhomogenous approximation spectrum, associated to an irrational number \\alpha\\ always has a Hall's Ray; that is, there is an \\epsilon>0 such that [0,\\epsilon) is a subset of the spectrum. In the case when \\alpha\\ has unbounded partial quotients we show that the spectrum is just a ray.

  9. Quantifying uncertainty from material inhomogeneity.

    Energy Technology Data Exchange (ETDEWEB)

    Battaile, Corbett Chandler; Emery, John M.; Brewer, Luke N.; Boyce, Brad Lee

    2009-09-01

    Most engineering materials are inherently inhomogeneous in their processing, internal structure, properties, and performance. Their properties are therefore statistical rather than deterministic. These inhomogeneities manifest across multiple length and time scales, leading to variabilities, i.e. statistical distributions, that are necessary to accurately describe each stage in the process-structure-properties hierarchy, and are ultimately the primary source of uncertainty in performance of the material and component. When localized events are responsible for component failure, or when component dimensions are on the order of microstructural features, this uncertainty is particularly important. For ultra-high reliability applications, the uncertainty is compounded by a lack of data describing the extremely rare events. Hands-on testing alone cannot supply sufficient data for this purpose. To date, there is no robust or coherent method to quantify this uncertainty so that it can be used in a predictive manner at the component length scale. The research presented in this report begins to address this lack of capability through a systematic study of the effects of microstructure on the strain concentration at a hole. To achieve the strain concentration, small circular holes (approximately 100 {micro}m in diameter) were machined into brass tensile specimens using a femto-second laser. The brass was annealed at 450 C, 600 C, and 800 C to produce three hole-to-grain size ratios of approximately 7, 1, and 1/7. Electron backscatter diffraction experiments were used to guide the construction of digital microstructures for finite element simulations of uniaxial tension. Digital image correlation experiments were used to qualitatively validate the numerical simulations. The simulations were performed iteratively to generate statistics describing the distribution of plastic strain at the hole in varying microstructural environments. In both the experiments and simulations, the

  10. Observational Aspects of an Inhomogeneous Cosmology

    CERN Document Server

    Saulder, Christoph; Zeilinger, Werner W

    2012-01-01

    One of the biggest mysteries in cosmology is Dark Energy, which is required to explain the accelerated expansion of the universe within the standard model. But maybe one can explain the observations without introducing new physics, by simply taking one step back and re-examining one of the basic concepts of cosmology, homogeneity. In standard cosmology, it is assumed that the universe is homogeneous, but this is not true at small scales (<200 Mpc). Since general relativity, which is the basis of modern cosmology, is a non-linear theory, one can expect some backreactions in the case of an inhomogeneous matter distribution. Estimates of the magnitude of these backreactions (feedback) range from insignificant to being perfectly able to explain the accelerated expansion of the universe. In the end, the only way to be sure is to test predictions of inhomogeneous cosmological theories, such as timescape cosmology, against observational data. If these theories provide a valid description of the universe, one expe...

  11. Chemical inhomogeneities and pulsation

    CERN Document Server

    Turcotte, S

    2001-01-01

    Major improvements in models of chemically peculiar stars have been achieved in the past few years. With these new models it has been possible to test quantitatively some of the processes involved in the formation of abundance anomalies and their effect on stellar structure. The models of metallic A (Am) stars have shown that a much deeper mixing has to be present to account for observed abundance anomalies. This has implications on their variability, which these models also reproduce qualitatively. These models also have implications for other chemically inhomogeneous stars such as HgMn B stars which are not known to be variable and lambda Bootis stars which can be. The study of the variability of chemically inhomogeneous stars can provide unique information on the dynamic processes occurring in many types of stars in addition to modeling of the evolution of their surface composition.

  12. Disaster Rescue Simulation based on Complex Adaptive Theory

    Directory of Open Access Journals (Sweden)

    Feng Jiang

    2013-05-01

    Full Text Available Disaster rescue is one of the key measures of disaster reduction. The rescue process is a complex process with the characteristics of large scale, complicate structure, non-linear. It is hard to describe and analyze them with traditional methods. Based on complex adaptive theory, this paper analyzes the complex adaptation of the rescue process from seven features: aggregation, nonlinearity, mobility, diversity, tagging, internal model and building block. With the support of Repast platform, an agent-based model including rescue agents and victim agents was proposed. Moreover, two simulations with different parameters are employed to examine the feasibility of the model. As a result, the proposed model has been shown that it is efficient in dealing with the disaster rescue simulation and can provide the reference for making decisions.

  13. Polymer Field-Theory Simulations on Graphics Processing Units

    CERN Document Server

    Delaney, Kris T

    2012-01-01

    We report the first CUDA graphics-processing-unit (GPU) implementation of the polymer field-theoretic simulation framework for determining fully fluctuating expectation values of equilibrium properties for periodic and select aperiodic polymer systems. Our implementation is suitable both for self-consistent field theory (mean-field) solutions of the field equations, and for fully fluctuating simulations using the complex Langevin approach. Running on NVIDIA Tesla T20 series GPUs, we find double-precision speedups of up to 30x compared to single-core serial calculations on a recent reference CPU, while single-precision calculations proceed up to 60x faster than those on the single CPU core. Due to intensive communications overhead, an MPI implementation running on 64 CPU cores remains two times slower than a single GPU.

  14. How Forest Inhomogeneities Affect the Edge Flow

    DEFF Research Database (Denmark)

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

    2016-01-01

    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......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...... 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...

  15. Promising synergies of simulation model management, software engineering, artificial intelligence, and general system theories

    Energy Technology Data Exchange (ETDEWEB)

    Oren, T.I.

    1982-01-01

    Simulation is viewed within the model management paradigm. Major components of simulation systems as well as elements of model management are outlined. Possible synergies of simulation model management, software engineering, artificial intelligence, and general system theories are systematized. 21 references.

  16. Theory and Simulation of Cholesteric Film Formation Flows of Dilute Collagen Solutions.

    Science.gov (United States)

    Aguilar Gutierrez, O F; Rey, Alejandro D

    2016-11-15

    Dilute isotropic collagen solutions are usually flow processed into monodomain chiral nematic thin films for obtaining highly ordered materials by a multistep process that starts with complex inhomogeneous flow kinematics. Here we present rigorous theory and simulation of the initial precursors during flow steps in cholesteric collagen film formation. We first extract the molecular shape parameter and rotational diffusivity from previously reported simple shear data of dilute collagen solutions, where the former leads the reactive parameter (tumbling function) which determines the net effect of vorticity and strain rate on the average orientation and where the latter establishes the intensity of strain required for flow-birefringence, both crucial quantities for controlled film formation flow. We find that the tumbling function is similar to those of rod-like lyotropic liquid crystalline polymers and hence it is predicted that they would tumble in the ordered high concentration state leading to flow-induced texturing. The previously reported experimental data is well fitted with rotational diffusivities whose order of magnitude is consistent to those of other biomacromolecules. We then investigate the response of the tensor order parameter to complex flow kinematics, ranging from pure vorticity, through simple shear, to extensional flow, as may arise in typical flow casting and film flows. The chosen control variable to produce precursor cholesteric films is the director or average orientation, since the nematic order is set close to typical values found in concentrated cholesteric type I collagen solutions. Using the efficient four-roll mill kinematics, we summarize the para-nematic structure-flow process diagram in terms of the director orientation and flow type. Using analysis and computation, we provide a parametric envelope that is necessary to eventually produce well-aligned cholesteric films. We conclude that extensional flow is an essential ingredient of

  17. Description of small scale inhomogeneities in seismic prospecting and long-wavelength theory%地震勘探中小尺度非均匀性的描述及长波长理论

    Institute of Scientific and Technical Information of China (English)

    郭乃川; 王尚旭; 董春晖; 郭锐

    2012-01-01

    That seismic wave propagation is itself affected by small scale inhomogeneities of geologic bodies is an important issue of interpreting geophysical images and receives much attention in recent years. In this work, first of all, a statistical representation is used to describe small-scale inhomogeneities in seismological studies and a new way to build random media in which the preferred orientation of the small-scale inhomogeneities is expanded is proposed. Then, the importance of dealing with the errors is stated. And the long-wavelength theory of seismic wave propagating in horizontal layered media is discussed and its significance is pointed out. Next, based on ID random layered media, the long-wavelength theory is studied by the local anisotropy factors' curves, and the influences of fluctuations in density and Poisson's ratio on the curves' pattern are analyzed. Finally, the characteristics of seismographic records of the ID and 2D random media are studied especially when the long-wavelength theory can not be satisfied. For comparative analysis, we also compute the theoretical traveltimes of the equivalent media which is got by the long-wavelength theory when the ID random layered media has different averaging lengths (The predicted traveltimes are got under the hypothesis that the anisotropy is weak) , and then give some conclusions with guidance meanings.%地球物理成像解释的一个重要问题是,地震波传播时其本身受到地质体中小尺度非均匀性的影响,对该问题的研究具有重要的意义且备受关注.据此,本文首先从统计意义上的表示形式来描述小尺度非均匀性,给出一种拓展了小尺度非均匀性择优取向的随机介质建模新方法,重点阐述了建模过程中对误差处理的重要性.其次讨论了地震波在水平层状介质中传播时的长波长理论,并指出对该理论的适用条件进行研究的重要意义.且还基于ID随机层状介质,从局部各向异性因子曲

  18. Electromagnetic field representation in inhomogeneous anisotropic media

    Science.gov (United States)

    Mohsen, A.

    1973-01-01

    Some of the basic developments in the theory of electromagnetic field representation in terms of Hertz vectors are reviewed. A solution for the field in an inhomogeneous anisotropic medium is given in terms of the two Hertz vectors. Conditions for presentation of the field in terms of uncoupled transverse electric and transverse magnetic modes, in a general orthogonal coordinate system, are derived when the permeability and permittivity tensors have only diagonal components. These conditions are compared with some known special cases.

  19. Solubility in supercritical solvents: A comparison of theory and simulation

    Science.gov (United States)

    Tomberli, Bruno Luca

    1998-12-01

    Solubility at supercritical conditions is studied using thermodynamics and statistical mechanics. The Redlich- Kwong equation of state, virial equation of state and fluctuation theory are used to predict the chemical potential for pure and mixed Lennard-Jones fluids. Where literature results are unavailable, Monte Carlo simulations employing the Widom particle insertion method are also carried out to determine the chemical potential at the same conditions. Several methods are shown to achieve an accuracy on the order of five percent. Based on the success of these theories, qualitative studies of cavity-interaction contributions to the chemical potential and the effect of clustering in supercritical solvation are conducted. Finally, fluctuation theory is shown to be the only available method suitable for ab initio calculations of the chemical potential involving anisotropic potentials. A suitable potential for naphthalene-carbon dioxide systems is developed from existing multi-site exp-6-1 potentials and predictions of the chemical potential of infinitely- dilute naphthalene in supercritical carbon dioxide are made as an example of a possible application of this method.

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

    Science.gov (United States)

    Posner, Glenn; Humphrey-Murto, Susan

    2017-01-01

    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. PMID:28280655

  1. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Vovk, Uros; Pernus, Franjo; Likar, Bostjan [Faculty of Electrical Engineering, University of Ljubljana, Trzaska 25, 1000 Ljubljana (Slovenia)

    2004-09-07

    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.

  3. 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.

  4. Simulation of robust resonance parameters using information theory

    Energy Technology Data Exchange (ETDEWEB)

    Krishna Kumar, P.T. [Reactor Physics Division, Indira Gandhi Centre for Atomic Research, Kalpakkam 603102 (India)], E-mail: gstptk@yahoo.co.in; Phoha, V.V. [Department of Computer Science, Louisiana Tech University, Arizona Avenue, Ruston, LA 71270 (United States)], E-mail: phoha@latech.edu; Iyengar, S.S. [Department of Computer Science, Louisiana State University, Baton Rouge, LA 70803 (United States)], E-mail: iyengar@csc.lsu.edu

    2008-08-15

    Due to complex nature of resonance region interactions, significant effort has been devoted to quantify the resonance parameter uncertainty information through covariance matrices. Statistical uncertainties arising from measurements contribute only to the diagonal elements of the covariance matrix, but the off-diagonal contributions arise from multiple sources like systematic errors in cross-section measurement, correlation due to nuclear reaction formalism, etc. All the efforts have so far been devoted to minimize the statistical uncertainty by repeated measurements but systematic uncertainty cannot be reduced by mere repetition. The computer codes like SAMMY and KALMAN so far developed to generate resonance parameter covariance have no provision to improve upon the highly correlated experimental data and hence reduce the systematic uncertainty. We propose a new approach called entropy based information theory to reduce the systematic uncertainty in the covariance matrix element wise so that resonance parameters with minimum systematic uncertainty can be simulated. Our simulation approach will aid both the experimentalists and the evaluators to design the experimental facility with minimum systematic uncertainty and thus improve the quality of measurement and the associated instrumentation. We demonstrate, the utility of our approach in simulating the resonance parameters of Uranium-235 and Plutonium-239 with reduced systematic uncertainty.

  5. Nonadiabatic molecular dynamics simulations: synergies between theory and experiments.

    Science.gov (United States)

    Tavernelli, Ivano

    2015-03-17

    Recent developments in nonadiabatic dynamics enabled ab inito simulations of complex ultrafast processes in the condensed phase. These advances have opened new avenues in the study of many photophysical and photochemical reactions triggered by the absorption of electromagnetic radiation. In particular, theoretical investigations can be combined with the most sophisticated femtosecond experimental techniques to guide the interpretation of measured time-resolved observables. At the same time, the availability of experimental data at high (spatial and time) resolution offers a unique opportunity for the benchmarking and the improvement of those theoretical models used to describe complex molecular systems in their natural environment. The established synergy between theory and experiments can produce a better understanding of new ultrafast physical and chemical processes at atomistic scale resolution. Furthermore, reliable ab inito molecular dynamics simulations can already be successfully employed as predictive tools to guide new experiments as well as the design of novel and better performing materials. In this paper, I will give a concise account on the state of the art of molecular dynamics simulations of complex molecular systems in their excited states. The principal aim of this approach is the description of a given system of interest under the most realistic ambient conditions including all environmental effects that influence experiments, for instance, the interaction with the solvent and with external time-dependent electric fields, temperature, and pressure. To this end, time-dependent density functional theory (TDDFT) is among the most efficient and accurate methods for the representation of the electronic dynamics, while trajectory surface hopping gives a valuable representation of the nuclear quantum dynamics in the excited states (including nonadiabatic effects). Concerning the environment and its effects on the dynamics, the quantum mechanics

  6. Theories and Simulations in Substorm Research: A Review

    Institute of Scientific and Technical Information of China (English)

    R. A. WOLF

    2011-01-01

    Both theory and simulation have played important roles in defining and illuminating the key mechanisms involved in substorms. Basic theories of magnetic reconnection and of interchange and ballooning instabilities were developed more than 50 years ago, and these plasma physical concepts have been central in discussions of substorm physics. A vast amount of research on reconnection, including both theoretical and computational studies, has helped provide a picture of how reconnection operates in the collisionless environment of the magnetosphere. Still, however, we do not fully understand how key microscale processes and large-scale dynamics work together to determine the location and rate of reconnection. While in the last twenty years, it has become clear that interchange processes are important for transporting plasma through the plasma sheet in the form of bursty bulk flows and substorm expansions, we still have not reached the point where simulations are able to realistically and defensibly represent all of the important aspects of the phenomenon. More than two decades ago it was suggested that the ballooning instability, the basic theory for which dates from the 1950s, may play an important role in substorms. Now the majority of experts agree that regions of the plasma sheet are often linearly unstable to ideal-MHD ballooning. However, it is also clear that kinetic effects introduce important modifications to the MHD stability criterion. It is still uncertain whether ballooning plays a leading role in substorms or has just a minor part. Among the different types of simulations that have been applied to the substorm problem, global MHD codes are unique in that, in a sense, they represent the entire global substorm phenomenon, including coupling to the solar wind and ionosphere, and the important mechanisms of reconnection, interchange, and ballooning. However, they have not yet progressed to the point where they can accurately represent the whole phenomenon

  7. Inhomogeneous anisotropic cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Kleban, Matthew [Center for Cosmology and Particle Physics, New York University,4 Washington Place, New York, NY 10003 (United States); Senatore, Leonardo [Stanford Institute for Theoretical Physics and Department of Physics, Stanford University,382 Via Pueblo Mall, Stanford, CA 94306 (United States); Kavli Institute for Particle Astrophysics and Cosmology, Stanford University and SLAC,2575 Sand Hill Road, M/S 29, Menlo Park, CA 94025 (United States)

    2016-10-12

    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.

  8. Inhomogeneous anisotropic cosmology

    Science.gov (United States)

    Kleban, Matthew; Senatore, Leonardo

    2016-10-01

    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.

  9. Inhomogeneous Cosmology Redux

    CERN Document Server

    Moffat, J W

    2016-01-01

    An alternative to the postulate of dark energy required to explain the accelerated expansion of the universe is to adopt an inhomogeneous cosmological model to explain the supernovae data without dark energy. We adopt a void cosmology model, based on the inhomogeneous Lema\\^{i}tre-Tolman-Bondi solution of Einstein's field equations. The model can resolve observational anomalies in the $\\Lambda CDM$ model, such as the discrepancy between the locally measured value of the Hubble constant, $H_0=73.24\\pm 1.74\\,{\\rm km}\\,{\\rm s}^{-1}\\,{\\rm Mpc}^{-1}$, and the $H_0=66.93\\pm 0.62\\,{\\rm km}\\,{\\rm s}^{-1}\\,{\\rm Mpc}^{-1}$ determined by the Planck satellite data and the $\\Lambda CDM$ model, and the lithium $^{7}{\\rm Li}$ problem, which is a $5\\sigma$ mismatch between the theoretical prediction for the $^{7}{\\rm Li}$ from big bang nucleosynthesis and the value that we observe locally today at $z=0$. The void model can also resolve the tension between the number of massive clusters derived from the Sunyaev-Zel'dovich eff...

  10. Holographic confinement in inhomogeneous backgrounds

    Science.gov (United States)

    Marolf, Donald; Wien, Jason

    2016-08-01

    As noted by Witten, compactifying a d-dimensional holographic CFT on an S 1 gives a class of ( d - 1)-dimensional confining theories with gravity duals. The proto-typical bulk solution dual to the ground state is a double Wick rotation of the AdS d+1 Schwarzschild black hole known as the AdS soliton. We generalize such examples by allowing slow variations in the size of the S 1, and thus in the confinement scale. Coefficients governing the second order response of the system are computed for 3 ≤ d ≤ 8 using a derivative expansion closely related to the fluid-gravity correspondence. The primary physical results are that i) gauge-theory flux tubes tend to align orthogonal to gradients and along the eigenvector of the Hessian with the lowest eigenvalue, ii) flux tubes aligned orthogonal to gradients are attracted to gradients for d ≤ 6 but repelled by gradients for d ≥ 7, iii) flux tubes are repelled by regions where the second derivative along the tube is large and positive but are attracted to regions where the eigenvalues of the Hessian are large and positive in directions orthogonal to the tube, and iv) for d > 3, inhomogeneities act to raise the total energy of the confining vacuum above its zeroth order value.

  11. Collapse of Langmuir solitons in inhomogeneous plasmas

    CERN Document Server

    Chen, Y A; Nishida, Y; Cheng, C Z

    2016-01-01

    Propagation of Langmuir solitons in inhomogeneous plasmas is investigated numerically. Through numerical simulation solving Zakharov equations, the solitons are accelerated toward the low density side. As a consequence, isolated cavities moving at ion sound velocities are emitted. When the acceleration is further increased, solitons collapse and the cavities separate into two lumps released at ion sound velocities. The threshold is estimated by an analogy between the soliton and a particle overcoming the self-generated potential well.

  12. 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.

  13. Emitter Design and Numerical Simulation Based on the Extenics Theory

    Directory of Open Access Journals (Sweden)

    Jiang Fan

    2014-05-01

    Full Text Available In order to improve the performance of emitter, the extenics theory is introduced, whose divergent thinking is used to resolve the conflict of anti-clogging and energy dissipation and a new structure is proposed. The wide triangular areas are designed to reduce the flow rate behind of the each orifice and be easy to precipitation of impurities. The orifices are set to gradually decrease water kinetic energy and the flow channel is designed to be dismantle. The numerical simulation technology is used to analyze the internal flow field of emitter, the flow field results show that the improved emitter has great effect of energy dissipation and anti-clogging. As the same time, the structure of emitter is optimized and L1 = 31 mm, L2 = 21 mm, L3 = 8 mm and L4 = 5 mm are the optimization size values.

  14. Charge neutrality breakdown in confined aqueous electrolytes: Theory and simulation.

    Science.gov (United States)

    Colla, Thiago; Girotto, Matheus; Dos Santos, Alexandre P; Levin, Yan

    2016-09-01

    We study, using Density Functional theory (DFT) and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in contact with a bulk salt reservoir. In agreement with recent experimental observations [Z. Luo et al., Nat. Commun. 6, 6358 (2015)], we find that the confined electrolyte lacks local charge neutrality. We show that a DFT based on a bulk-HNC expansion properly accounts for strong electrostatic correlations and allows us to accurately calculate the ionic density profiles between the charged surfaces, even for electrolytes containing trivalent counterions. The DFT allows us to explore the degree of local charge neutrality violation, as a function of plate separation and bulk electrolyte concentration, and to accurately calculate the interaction force between the charged surfaces.

  15. Quantum simulation of quantum field theory using continuous variables

    Science.gov (United States)

    Marshall, Kevin; Pooser, Raphael; Siopsis, George; Weedbrook, Christian

    2015-12-01

    The year 1982 is often credited as the year that theoretical quantum computing was started with a keynote speech by Richard Feynman, who proposed a universal quantum simulator, the idea being that if you had such a machine you could in principle "imitate any quantum system, including the physical world." With that in mind, we present an algorithm for a continuous-variable quantum computing architecture which gives an exponential speedup over the best-known classical methods. Specifically, this relates to efficiently calculating the scattering amplitudes in scalar bosonic quantum field theory, a problem that is believed to be hard using a classical computer. Building on this, we give an experimental implementation based on continuous-variable states that is feasible with today's technology.

  16. Dynamic Simulation of Backward Diffusion Based on Random Walk Theory

    Science.gov (United States)

    Dung, Vu Ba; Nguyen, Bui Huu

    2016-06-01

    Results of diffusion study in silicon showed that diffusion of the selfinterstitial and vacancy could be backward diffusion and their diffusivity could be negative [1]. The backward diffusion process and negative diffusivity is contrary to the fundamental laws of diffusion such as the law of Fick law, namely the diffusive flux of backward diffusion goes from regions of low concentration to regions of high concentration. The backward diffusion process have been explained [2]. In this paper, the backward diffusion process is simulated. Results is corresponding to theory and show that when thermal velocity of the low concentration area is greater than thermal velocity of the high concentration area, the backward diffusion can be occurred.

  17. The Impact of theory and simulation on tokomak experiments

    Institute of Scientific and Technical Information of China (English)

    H. R. Wilson; T.S. Hahm; F. Zonca

    2007-01-01

    @@ In this section, we consider how theory and simulation have influenced tokamak experiments. Over the years, there have been numerous examples, and it is not possible to review all of them in this section. Instead, we have identified a number of areas that raise key research issues for ITER: either for its performance, or for its structural integrity. Although the review is not exhaustive, it does provide an illustration of how the theoretical physics community helps to shape and guide the experimental programmes on the world's tokamaks. We have listed a number of important references. Again, it is not possible to include all references, but we have aimed to construct a representative list which will provide access to the wider literature in these areas.

  18. Theory, modelling and simulation in origins of life studies.

    Science.gov (United States)

    Coveney, Peter V; Swadling, Jacob B; Wattis, Jonathan A D; Greenwell, H Christopher

    2012-08-21

    Origins of life studies represent an exciting and highly multidisciplinary research field. In this review we focus on the contributions made by theory, modelling and simulation to addressing fundamental issues in the domain and the advances these approaches have helped to make in the field. Theoretical approaches will continue to make a major impact at the "systems chemistry" level based on the analysis of the remarkable properties of nonlinear catalytic chemical reaction networks, which arise due to the auto-catalytic and cross-catalytic nature of so many of the putative processes associated with self-replication and self-reproduction. In this way, we describe inter alia nonlinear kinetic models of RNA replication within a primordial Darwinian soup, the origins of homochirality and homochiral polymerization. We then discuss state-of-the-art computationally-based molecular modelling techniques that are currently being deployed to investigate various scenarios relevant to the origins of life.

  19. Parametrization of turbulent fluxes over inhomogeneous landscapes

    Science.gov (United States)

    Panin, G. N.; Bernhofer, Ch.

    2008-12-01

    Reasons for the nonclosure of the heat balance in the atmospheric boundary layers over natural land surfaces are analyzed. Results of measuring the heat-balance components over different land surfaces are used. The Cabauw (Netherlands) data (obtained throughout 1996 over a grass surface with intermittent shrubs and single trees) and the data from the Anchor station in Germany (measured over coniferous forest in 2000-2001) are analyzed. In all, the analysis involves about fifty thousand independent values of the heat-balance components measured in the experiments, which should be indicative of the reliability of the results obtained in the paper. The data have shown that the heat balance is not closed and the imbalance is 50-250 W/m2. The sum of the latent and sensible heat fluxes λ E + H = STF is found to be systematically smaller than the difference between the net radiation and the heat flux into the ground R n - G. It is shown that the main cause of a systematic heat imbalance in the atmospheric boundary layers over inhomogeneous land surfaces is that the methods of surface-flux measurement and estimation are based on the theory that requires the hypothesis of stationarity and horizontal homogeneity. Direct data analysis has shown that the heat imbalance increases with landscape inhomogeneity. In the paper, a parametrization of the heat imbalance is carried out and the coefficient k f ( z {0/ ef }/ L ef ) is introduced as a measure of inhomogeneity. For this, data from the experiments FIFE, KUREX, TARTEX, SADE, etc., are also used. Empirical formulas are presented to refine the results of direct measurements and calculations of surface fluxes over natural (inhomogeneous) land surfaces from profile and standard (using bulk parametrizations) data. These formulas can also be used to determine surface fluxes over inhomogeneous underlying land surfaces in order to take into account so-called subgrid-scale effects in constructing prediction models.

  20. Simulation and quasilinear theory of proton firehose instability

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-15

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

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

    Science.gov (United States)

    Kornyshev, Alexei

    2010-03-01

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

  2. 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

  3. Breakdown of an Inhomogeneous Scale- Free Network Under Intentional Attack

    Institute of Scientific and Technical Information of China (English)

    LIN Guo-Ji; CHENG Xiang; OU-YANG Qi

    2003-01-01

    Using a recently introduced network model with node and connection diversity, we study the breakdown of different scale-free networks under intentional attacks. Our simulation results show that inhomogeneous networks are more sensitive to intentional attack than the homogeneous ones and that the centralization of the networks is an important variable, reflecting the characteristics of the network under intentional attack. Using a recently introduced method we can theoretically develop the critical point of the inhomogeneous networks.

  4. Adapting SAFT-γ perturbation theory to site-based molecular dynamics simulation. III. Molecules with partial charges at bulk phases, confined geometries and interfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ghobadi, Ahmadreza F.; Elliott, J. Richard, E-mail: elliot1@uakron.edu [Department of Chemical and Biomolecular Engineering, The University of Akron, Akron Ohio 44325 (United States)

    2014-09-07

    In Paper I [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 139(23), 234104 (2013)], we showed that how a third-order Weeks–Chandler–Anderson (WCA) Thermodynamic Perturbation Theory and molecular simulation can be integrated to characterize the repulsive and dispersive contributions to the Helmholtz free energy for realistic molecular conformations. To this end, we focused on n-alkanes to develop a theory for fused and soft chains. In Paper II [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 141(2), 024708 (2014)], we adapted the classical Density Functional Theory and studied the microstructure of the realistic molecular fluids in confined geometries and vapor-liquid interfaces. We demonstrated that a detailed consistency between molecular simulation and theory can be achieved for both bulk and inhomogeneous phases. In this paper, we extend the methodology to molecules with partial charges such as carbon dioxide, water, 1-alkanols, nitriles, and ethers. We show that the electrostatic interactions can be captured via an effective association potential in the framework of Statistical Associating Fluid Theory (SAFT). Implementation of the resulting association contribution in assessing the properties of these molecules at confined geometries and interfaces presents satisfactory agreement with molecular simulation and experimental data. For example, the predicted surface tension deviates less than 4% comparing to full potential simulations. Also, the theory, referred to as SAFT-γ WCA, is able to reproduce the specific orientation of hydrophilic head and hydrophobic tail of 1-alkanols at the vapor-liquid interface of water.

  5. Inhomogeneous Fragmentation of the Rolling Tachyon

    CERN Document Server

    Felder, G N; Felder, Gary N.; Kofman, Lev

    2004-01-01

    Dirac-Born-Infeld type effective actions reproduce many aspects of string theory classical tachyon dynamics of unstable Dp-branes. The inhomogeneous tachyon field rolling from the top of its potential forms topological defects of lower codimensions. In between them, as we show, the tachyon energy density fragments into a p-dimensional web-like high density network evolving with time. We present an analytic asymptotic series solution of the non-linear equations for the inhomogeneous tachyon and its stress energy. The generic solution for a tachyon field with a runaway potential in arbitrary dimensions is described by the free streaming of noninteracting massive particles whose initial velocities are defined by the gradients of the initial tachyon profile. Thus, relativistic particle mechanics is a dual picture of the tachyon field effective action. Implications of this picture for inflationary models with a decaying tachyon field are discussed.

  6. Strong Primordial Inhomogeneities and Galaxy Formation

    CERN Document Server

    Khlopov, M Ya; Sakharov, Alexander S

    2002-01-01

    The new element of theory of galaxy formation, strong primordial inhomogeneities, is shown to be a reflection of unstable large scale structures of topological defects, created in second order phase transitions in the inflationary Universe. In addition to {\\it archioles-like} large scale correlation of the primordial inhomogeneity of energy density of coherent scalar field oscillations, the same mechanism, based on the second order phase transitions on the inflational stage and the domain wall formation upon the end of inflation, leads to the formation of massive black hole clusters that can serve as nuclei for the future galaxies. The number of black holes with $M \\sim 100M_{\\odot}$ and above is comparable with the number of galaxies within the modern cosmological horizon. The primordial fractal structure of galaxies can find natural grounds in the framework of model we developed . The proposed approach offers the physical basis for new scenarios of galaxy formation in the Big Bang Universe.

  7. Equilibrium figures of inhomogeneous synchronous binary asteroids

    Science.gov (United States)

    Descamps, P.

    2010-06-01

    The present paper deals with the application of the classical theory of equilibrium figures of two rotating liquid masses to the case where bodies exhibit a radially stratified internal density distribution so that they can be considered as inhomogeneous bodies. The derived ellipsoidal shape solutions are applied to five real systems of equal-sized synchronous asteroids. Furthermore, internal inhomogeneity puts strong constraints on the surface grain density. A satisfactory model fit is achieved with internal densities of asteroids steadily increasing outwards. In particular, from such an approach we derived grain densities of the considered systems in agreement with their mineralogical composition inferred from reflectance spectroscopy. According to this new approach, 4492 Debussy, presently of unknown spectral type, is predicted to appear as a C-type object with a grain density on the order of 2 g/cm 3.

  8. 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.

  9. Inhomogeneous Thermal Quenches

    CERN Document Server

    Sohrabi, Kiyoumars A

    2015-01-01

    We describe holographic thermal quenches that are inhomogeneous in space. The main characteristic of the quench is to take the system far from its equilibrium configuration. Except special extreme cases, the problem has no analytic solution. Using the numerical holography methods, we study different observables that measure thermalization such as the time evolution of the horizon, two-point Wightman function and entanglement entropy (EE). Having an extra nontrivial spacial direction, allows us to study this peculiar generalization since we categorize the problem based on whether we do the measurements along this special direction or perpendicular to it. Exciting new features appear that are absent in the common computations in the literature, the appearance of negative EE valleys surrounding the positive EE hills and abrupt quenches that occupy the whole space at their universal limit are some of the results of this paper. We have tried to provide physical explanations wherever possible. The physical picture ...

  10. Investigating inhomogeneous Szekeres models and their applications to precision cosmology

    Science.gov (United States)

    Peel, Austin Chandler

    Exact solutions of Einstein's field equations that can describe the evolution of complex structures in the universe provide complementary frameworks to standard perturbation theory in which to analyze cosmological and astrophysical phenomena. The flexibility and generality of the inhomogeneous and anisotropic Szekeres metric make it the best known exact solution to explore nonlinearities in the universe. We study applications of Szekeres models to precision cosmology, focusing on the influence of inhomogeneities in two primary contexts---the growth rate of cosmic structures and biases in distance determinations to remote sources. We first define and derive evolution equations for a Szekeres density contrast, which quantifies exact deviations from a smooth background cosmology. Solving these equations and comparing to the usual perturbative approach, we find that for models with the same matter content, the Szekeres growth rate is larger through the matter-dominated cosmic era. Including a cosmological constant, we consider exact global perturbations, as well as the evolution of a single extended structure surrounded by an almost homogeneous background. For the former, we use growth data to obtain a best fit Szekeres model and find that it can fit the data as well as the standard Lambda-Cold Dark Matter (LCDM) cosmological model but with different cosmological parameters. Next, to study effects of inhomogeneities on distance measures, we build an exact relativistic Swiss-cheese model of the universe, where a large number of non-symmetric and randomly placed Szekeres structures are embedded within a LCDM background. Solving the full relativistic propagation equations, light beams are traced through the model, where they traverse the inhomogeneous structures in a way that mimics the paths of real light beams in the universe. For beams crossing a single structure, their magnification or demagnification reflects primarily the net density encountered along the path

  11. Ultracold Quantum Gases and Lattice Systems: Quantum Simulation of Lattice Gauge Theories

    CERN Document Server

    Wiese, U -J

    2013-01-01

    Abelian and non-Abelian gauge theories are of central importance in many areas of physics. In condensed matter physics, Abelian U(1) lattice gauge theories arise in the description of certain quantum spin liquids. In quantum information theory, Kitaev's toric code is a Z(2) lattice gauge theory. In particle physics, Quantum Chromodynamics (QCD), the non-Abelian SU(3) gauge theory of the strong interactions between quarks and gluons, is non-perturbatively regularized on a lattice. Quantum link models extend the concept of lattice gauge theories beyond the Wilson formulation, and are well suited for both digital and analog quantum simulation using ultracold atomic gases in optical lattices. Since quantum simulators do not suffer from the notorious sign problem, they open the door to studies of the real-time evolution of strongly coupled quantum systems, which are impossible with classical simulation methods. A plethora of interesting lattice gauge theories suggests itself for quantum simulation, which should al...

  12. Study of homogeneity and inhomogeneity phantom in CUDA EGS for small field dosimetry

    Science.gov (United States)

    Yani, Sitti; Rhani, Mohamad Fahdillah; Haryanto, Freddy; Arif, Idam

    2017-02-01

    CUDA EGS was CUDA implementation to simulate transport photon in a material based on Monte Carlo algorithm for X-ray imaging. The objective of this study was to investigate the effect of inhomogeneities in inhomogeneity phantom for small field dosimetry (1×1, 2×2, 3×3, 4×4 and 5×5 cm2). Two phantoms, homogeneity and inhomogeneity phantom were used. The interaction in homogeneity and inhomogeneity phantom was dominated by Compton interaction and multiple scattering. The CUDA EGS can represent the inhomogeneity effect in small field dosimetry by combining the grayscale curve between homogeneity and inhomogeneity phantom. The grayscale curve in inhomogeneity phantom is not asymmetric because of the existence of different material in phantom.

  13. Formation of the First Galaxies: Theory and Simulations

    CERN Document Server

    Johnson, Jarrett L

    2011-01-01

    The properties of the first galaxies are shaped in large part by the first generations of stars, which emit high energy radiation and unleash both large amounts of mechanical energy and the first heavy elements when they explode as supernovae. We survey the theory of the formation of the first galaxies in this context, focusing on the results of cosmological simulations to illustrate a number of the key processes that define their properties. We first discuss the evolution of the primordial gas as it is incorporated into the earliest galaxies under the influence of the high energy radiation emitted by the earliest stars; we then turn to consider how the injection of heavy elements by the first supernovae transforms the evolution of the primordial gas and alters the character of the first galaxies. Finally, we discuss the prospects for the detection of the first galaxies by future observational missions, in particular focusing on the possibility that primordial star-forming galaxies may be uncovered.

  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. On the theory and simulation of confined liquid crystals

    CERN Document Server

    Andrienko, D

    2001-01-01

    cylindrical symmetry of the core is broken and two defects of strength +1/2 may be resolved. We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. We observe three defect structures for different particle sizes: a quadrupolar one with a ring defect surrounding the particle in the equatorial plane; a dipolar one with a satellite defect at the north or south pole; and a transitional, non-equatorial, ring defect. By studying density and order-parameter maps, we are able to examine behavior near the particle surface, and in the disclination core region, where the elastic theory is inapplicable. We present the results of molecular dynamics simulations of the topological defects that appear around an elongated colloidal particle. We also study the force and the torque on the particle suspended in the bulk of the nematic mesophase and modification of this torque when the particle is close to the cell substrate. In this thesis, we investigate several aspec...

  16. Janus fluid with fixed patch orientations: theory and simulations.

    Science.gov (United States)

    Maestre, Miguel Ángel G; Fantoni, Riccardo; Giacometti, Achille; Santos, Andrés

    2013-03-07

    We study thermophysical properties of a Janus fluid with constrained orientations, using analytical techniques and numerical simulations. The Janus character is modeled by means of a Kern-Frenkel potential where each sphere has one hemisphere of square-well and the other of hard-sphere character. The orientational constraint is enforced by assuming that each hemisphere can only point either North or South with equal probability. The analytical approach hinges on a mapping of the above Janus fluid onto a binary mixture interacting via a "quasi" isotropic potential. The anisotropic nature of the original Kern-Frenkel potential is reflected by the asymmetry in the interactions occurring between the unlike components of the mixture. A rational-function approximation extending the corresponding symmetric case is obtained in the sticky limit, where the square-well becomes infinitely narrow and deep, and allows a fully analytical approach. Notwithstanding the rather drastic approximations in the analytical theory, this is shown to provide a rather precise estimate of the structural and thermodynamical properties of the original Janus fluid.

  17. 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

    2017-08-16

    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.

  18. Finding the right words : implementing optimality theory with simulated annealing

    NARCIS (Netherlands)

    Bíró, Tamás Sándor

    2006-01-01

    De Optimality Theory is een van de populairste theorieën in de linguïstiek, met name in de fonologie. Het onderzoek van Tamás Bíró is erop gericht om deze theorie zo naar een computeralgoritme over te zetten, dat het mogelijk wordt om natuurlijke spraak te bestude­ren. Het onderzoek concentreert zic

  19. 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…

  20. 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…

  1. 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…

  2. Simple inhomogeneous cosmological (toy) models

    CERN Document Server

    I., Eddy G Chirinos; Zimdahl, Winfried

    2016-01-01

    Based on the Lema\\^itre-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 provides a better description of the observations than a local void. Future redshift-drift measurements are discussed as a promising tool to discriminate between inhomogeneous configurations and the $\\Lambda$CDM model.

  3. Supramolecular polymers in inhomogeneous systems

    NARCIS (Netherlands)

    Zweistra, H.J.A.

    2007-01-01

    This thesis describes theoretical results of supramolecular polymers in inhomogeneous systems. Supramolecular polymers are linear assemblies of which the monomers are joined by reversible bonds. Many types of supramolecular polymers have been synthesized in recent years. Moreover, there are numerous

  4. Modelling Inhomogeneity in the Universe

    CERN Document Server

    Hellaby, Charles

    2009-01-01

    An overview of some recent developments in inhomogeneous models is presented. As the volume and precision of cosmological data improves, it will become more and more essential to understand the non-linear behaviour of the Einstein field equations. This requires the study of exact inhomogeneous solutions, including their density distributions, their evolution, their geometry, and their causal structure. Observations are strongly affected by the detailed geometry and evolution of a model, and therefore interpretation of observations depends on understanding them. It is generally assumed the universe is homogeneous if averaged over large enough scales, but to actually prove this is so, will require the assumption to be relaxed, and a rigorous inhomogeneous approach to be applied. Though the \\LT metric has long been used for models of spherical inhomogeneities, there have been a number of new results, including a variety of methods for creating models with specific properties, and their application to cosmic stru...

  5. 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...

  6. Final Progress Report - Heavy Ion Accelerator Theory and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Haber, Irving

    2009-10-31

    The use of a beam of heavy ions to heat a target for the study of warm dense matter physics, high energy density physics, and ultimately to ignite an inertial fusion pellet, requires the achievement of beam intensities somewhat greater than have traditionally been obtained using conventional accelerator technology. The research program described here has substantially contributed to understanding the basic nonlinear intense-beam physics that is central to the attainment of the requisite intensities. Since it is very difficult to reverse intensity dilution, avoiding excessive dilution over the entire beam lifetime is necessary for achieving the required beam intensities on target. The central emphasis in this research has therefore been on understanding the nonlinear mechanisms that are responsible for intensity dilution and which generally occur when intense space-charge-dominated beams are not in detailed equilibrium with the external forces used to confine them. This is an important area of study because such lack of detailed equilibrium can be an unavoidable consequence of the beam manipulations such as acceleration, bunching, and focusing necessary to attain sufficient intensity on target. The primary tool employed in this effort has been the use of simulation, particularly the WARP code, in concert with experiment, to identify the nonlinear dynamical characteristics that are important in practical high intensity accelerators. This research has gradually made a transition from the study of idealized systems and comparisons with theory, to study the fundamental scaling of intensity dilution in intense beams, and more recently to explicit identification of the mechanisms relevant to actual experiments. This work consists of two categories; work in direct support beam physics directly applicable to NDCX and a larger effort to further the general understanding of space-charge-dominated beam physics.

  7. 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.

  8. Inhomogeneous Thermalization in Strongly Coupled Field Theories

    NARCIS (Netherlands)

    Balasubramanian, V.; Bernamonti, A.; de Boer, J.; Carps, B.; Franti, L.; Galli, F.; Keski-Vakkuri, E.; Müller, B.; Schäfer, A.

    2013-01-01

    To describe theoretically the creation and evolution of the quark-gluon plasma, one typically employs three ingredients: a model for the initial state, nonhydrodynamic early time evolution, and hydrodynamics. In this Letter we study the nonhydrodynamic early time evolution using the AdS/CFT

  9. Stirring and mixing effects on oscillations and inhomogeneities in the minimal bromate oscillator

    Science.gov (United States)

    Dutt, A. K.; Menzinger, M.

    1999-04-01

    Stirring and mixing effects on the oscillations and inhomogeneities in the bromate-bromide-cerous system (minimal bromate oscillator) have been investigated in a continuously fed stirred tank reactor (CSTR). A movable microelectrode is used to monitor the inhomogeneities inside the CSTR in an oscillating phase. The results are explained in terms of the theory of imperfect mixing.

  10. 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).

  11. Green's function for a prestressed thermoelastic half-space with an inhomogeneous coating

    Science.gov (United States)

    Belyankova, T. I.; Kalinchuk, V. V.

    2016-09-01

    A mathematical model is developed for an inhomogeneous thermoelastic prestressed half-space consisting of a stack of homogeneous or functionally graded layers rigidly attached to a homogeneous base. Each component of the inhomogeneous medium is subjected to initial mechanical stresses and temperature. Successive linearization of the constitutive relations of the nonlinear mechanics of a thermoelastic medium is performed using the theory of superposition of small deformations on finite deformations with the inhomogeneity of the medium taken into account. Integral formulas are derived to explore dynamic processes in inhomogeneous prestressed thermoelastic media.

  12. Scattering of a spherical pulse from a small inhomogeneity: Dilation and rotation

    Indian Academy of Sciences (India)

    M D Sharma

    2001-09-01

    Perturbations in elastic constants and density distinguish a volume inhomogeneity from its homogeneous surroundings. The equation of motion for the first order scattering is studied in the perturbed medium. The scattered waves are generated by the interaction between the primary waves and the inhomogeneity. First order scattering theory is modified to include the source term generating the primary waves. The body force equivalent to the scattering source is presented in a convenient form involving the perturbations in wave velocities and gradient of density perturbation. A procedure is presented to study the scattering of a spherical pulse from a small inhomogeneity, in time domain. The size of inhomogeneity is assumed small as compared to its distance from source and receiver. No restrictions are placed on the positions of source, receiver and inhomogeneity. The dilatation and rotations are calculated for a pulse scattered from an arbitrary point in a spherical volume. The aggregate of the scattered phases from all the points of the inhomogeneity, reaching at a fixed receiver, gives the amount of scattering from the inhomogeneity. The interaction of both P and S waves with inhomogeneity are considered. Dilatation and rotations for scattering are obtained as integral expressions over the solid angle of inhomogeneity. These expressions are computed numerically, for hypothetical models. The effects of source (unit force) orientations, velocity and density perturbations, and size of inhomogeneity, on the scattered phases, are discussed.

  13. Marcus-Hush-Chidsey theory of electron transfer to and from species bound at a non-uniform electrode surface: Theory and experiment

    Science.gov (United States)

    Henstridge, Martin C.; Batchelor-McAuley, Christopher; Gusmão, Rui; Compton, Richard G.

    2011-11-01

    Two simple models of electrode surface inhomogeneity based on Marcus-Hush theory are considered; a distribution in formal potentials and a distribution in electron tunnelling distances. Cyclic voltammetry simulated using these models is compared with that simulated using Marcus-Hush theory for a flat, uniform and homogeneous electrode surface, with the two models of surface inhomogeneity yielding broadened peaks with decreased peak-currents. An edge-plane pyrolytic graphite electrode is covalently modified with ferrocene via 'click' chemistry and the resulting voltammetry compared with each of the three previously considered models. The distribution of formal potentials is seen to fit the experimental data most closely.

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    We present a theory for the acoustic force density acting on inhomogeneous fluids in acoustic fields on time scales that are slow compared to the acoustic oscillation period. The acoustic force density depends on gradients in the density and compressibility of the fluid. For microfluidic systems...

  15. Apparent horizons in Clifton-Mota-Barrow inhomogeneous universe

    CERN Document Server

    Vitagliano, Vincenzo; Sotiriou, Thomas P; Liberati, Stefano

    2013-01-01

    We analyze the apparent horizon dynamics in the inhomogeneous Clifton-Mota-Barrow solution of Brans-Dicke theory. This solution models a central matter configuration embedded in a cosmological background. In certain regions of the parameter space we find solutions exhibiting dynamical creation or merging of two horizons.

  16. Effective inhomogeneous inflation: curvature inhomogeneities of the Einstein vacuum

    Energy Technology Data Exchange (ETDEWEB)

    Buchert, Thomas [Universite Lyon 1, Centre de Recherche Astrophysique de Lyon, 9 Avenue Charles Andre, F-69230 Saint-Genis-Laval (France); Obadia, Nathaniel, E-mail: buchert@obs.univ-lyon1.fr, E-mail: nathaniel.obadia@ens-lyon.fr [Ecole Normale Superieure de Lyon, Centre de Recherche Astrophysique de Lyon, 46 Allee d' Italie, F-69364 Lyon Cedex 07 (France)

    2011-08-21

    We consider spatially averaged inhomogeneous universe models and argue that, already in the absence of sources, an effective scalar field arises through foliating and spatially averaging inhomogeneous geometrical curvature invariants of the Einstein vacuum. This scalar field (the 'morphon') acts as an inflaton, if we prescribe a potential of some generic form. We show that, for any initially negative average spatial curvature, the morphon is driven through an inflationary phase and leads-on average-to a spatially flat, homogeneous and isotropic universe model, providing initial conditions for pre-heating and, by the same mechanism, a possibly natural self-exit. (fast track communication)

  17. Supernova Feedback in an Inhomogeneous Interstellar Medium

    CERN Document Server

    Martizzi, Davide; Quataert, Eliot

    2014-01-01

    Supernova (SN) feedback is one of the key processes shaping the interstellar medium (ISM) of galaxies. SNe contribute to (and in some cases may dominate) driving turbulence in the ISM and accelerating galactic winds. Modern cosmological simulations have sufficient resolution to capture the main structures in the ISM of galaxies, but are typically still not capable of explicitly resolving all of the small-scale stellar feedback processes, including the expansion of supernova remnants (SNRs). We perform a series of controlled three-dimensional hydrodynamic (adaptive mesh refinement, AMR) simulations of single SNRs expanding in an inhomogeneous density field with statistics motivated by those of the turbulent ISM. We use these to quantify the momentum and thermal energy injection from SNe as a function of spatial scale and the density, metallicity, and structure of the ambient medium. Using these results, we develop an analytic sub-resolution model for SN feedback for use in galaxy formation simulations. We then...

  18. Illumination pattern optimization for fluorescence tomography: theory and simulation studies.

    Science.gov (United States)

    Dutta, Joyita; Ahn, Sangtae; Joshi, Anand A; Leahy, Richard M

    2010-05-21

    Fluorescence molecular tomography is a powerful tool for 3D visualization of molecular targets and pathways in vivo in small animals. Owing to the high degrees of absorption and scattering of light through tissue, the fluorescence tomographic inverse problem is inherently ill-posed. In order to improve source localization and the conditioning of the light propagation model, multiple sets of data are acquired by illuminating the animal surface with different spatial patterns of near-infrared light. However, the choice of these patterns in most experimental setups is ad hoc and suboptimal. This paper presents a systematic approach for designing efficient illumination patterns for fluorescence tomography. Our objective here is to determine how to optimally illuminate the animal surface so as to maximize the information content in the acquired data. We achieve this by improving the conditioning of the Fisher information matrix. We parameterize the spatial illumination patterns and formulate our problem as a constrained optimization problem that, for a fixed number of illumination patterns, yields the optimal set of patterns. For geometric insight, we used our method to generate a set of three optimal patterns for an optically homogeneous, regular geometrical shape and observed expected symmetries in the result. We also generated a set of six optimal patterns for an optically homogeneous cuboidal phantom set up in the transillumination mode. Finally, we computed optimal illumination patterns for an optically inhomogeneous realistically shaped mouse atlas for different given numbers of patterns. The regularized pseudoinverse matrix, generated using the singular value decomposition, was employed to reconstruct the point spread function for each set of patterns in the presence of a sample fluorescent point source deep inside the mouse atlas. We have evaluated the performance of our method by examining the singular value spectra as well as plots of average spatial

  19. 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)

  20. Designing a Digital Medical Management Training Simulator Using Distributed Cognition Theory

    OpenAIRE

    Rybing, Jonas; Prytz, Erik; Hornwall, Johan; Nilsson, Helene; Jonson, Carl-Oscar; Bång, Magnus

    2017-01-01

    Background Training of medical professionals is important to improve care during mass-causality events. Therefore, it is essential to extend knowledge on how to design valid and usable simulation-based training environments. Purpose This article investigates how distributed cognition and simulation theory concepts can guide design of simulation-based training environments. We present the design and user evaluation of DigEmergo, a simulator for training and assessing emergency medicine managem...

  1. Simulations for plasma spectroscopy based on UTA theory

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    The unresolved transition array(UTA) simulation with configurationaverage approximation is used to calculate the spectral properties ofplasmas involving complex ions. This method is used to simulate thetransmission of X-rays through aluminum plasma and niobium plasmarespectively. The results are compared with experiments and other results ofadvanced models and good agreements are obtained.

  2. Statistical mechanical theory for and simulations of charged fluids and water

    Science.gov (United States)

    Rodgers, Jocelyn Michelle

    Treatment of electrostatic interactions in simulations remains a topic of current research. These interactions are present in most biomolecular simulations, and they remain an expensive part of the simulation. Herein we explore the application of local molecular field (LMF) theory to this problem. Local molecular field theory splits the Coulomb potential 1/r into short-ranged and long-ranged components. The short-ranged component may be treated explicitly in simulations and the long-ranged component is contained in a mean-field-like average external electrostatic potential. In this thesis, the derivations and approximations inherent in using the previously developed LMF theory are explored, and connections to classical electrostatics are made. Further the approach is justified for molecular systems. The application of LMF theory to several systems is explored. First, a simple system of uniformly charged walls with neutralizing counterions is treated via simulations using LMF theory. We then explore systems involving molecular water at ambient conditions. A simple approximation to LMF theory using only the short-ranged component of 1/r is quite powerful for bulk water. A full treatment using LMF theory extends the validity of such spherical truncations to nonuniform systems. This thesis studies the successful treatment of water confined between hydrophobic walls with and without an applied electric field---a system which is a classic example of the failings of spherical truncations in molecular simulations. Additional results exemplify the applicability of LMF simulations to more molecularly realistic simulations. Connection is also made between these simulations of confined water and a related theory of hydrophobicity due to Lum, Chandler, and Weeks (1999).

  3. Mathematical framework for multi-frequency identification of thin insulating and small conductive inhomogeneities

    Science.gov (United States)

    Ammari, Habib; Seo, Jin Keun; Zhang, Tingting

    2016-10-01

    We are aiming to identify the thin insulating inhomogeneities and small conductive inhomogeneities inside an electrically conducting medium by using multi-frequency electrical impedance tomography. The thin insulating inhomogeneities are considered in the form of a tubular neighborhood of a curve and small conductive inhomogeneities are regarded as circular disks. Taking advantage of the frequency dependent behavior of insulating objects, we give a rigorous derivation of the potential along thin insulating objects at various frequencies. Asymptotic formula is given to analyze relationship between inhomogeneities and boundary potential at different frequencies. In numerical simulations, spectroscopic images are provided to visualize the reconstructed admittivity at various frequencies. For the view of both kinds of inhomogeneities, an integrated reconstructed image based on principal component analysis is provided. Phantom experiments are performed by using Swisstom EIT-Pioneer Set.

  4. 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

  5. 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

  6. Comments on inhomogeneous anisotropic cosmology

    CERN Document Server

    Kaya, Ali

    2016-01-01

    Recently a new no-global-recollapse argument is given for some inhomogeneous and anisotropic cosmologies that utilizes surface deformation by the mean curvature flow. In this note we point out a few important issues about the proposed deformations and in particular indicate that in the presence of large spatial variations the mean curvature flow may deform an initially spacelike surface to a surface with null or timelike portions. The time evolution of the spatial scalar curvature that prevents recollapse is determined in normal coordinates, which shows the impact of inhomogeneities explicitly. Our analysis also indicates a possible caveat in numerical solutions that give rise to inflation.

  7. Remarks on inhomogeneous anisotropic cosmology

    Science.gov (United States)

    Kaya, Ali

    2016-08-01

    Recently a new no-global-recollapse argument was given for some inhomogeneous and anisotropic cosmologies that utilizes surface deformation by the mean curvature flow. In this paper we discuss important properties of the mean curvature flow of spacelike surfaces in Lorentzian manifolds. We show that singularities may form during cosmic evolution, and the theorems forbidding the global recollapse lose their validity. The time evolution of the spatial scalar curvature that may kinematically prevent the recollapse is determined in normal coordinates, which shows the impact of inhomogeneities explicitly. Our analysis indicates a caveat in numerical solutions that give rise to inflation.

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

    Science.gov (United States)

    Calvin, Nicholas T; J McDowell, J

    2015-11-01

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

  9. Introduction to Computational Physics and Monte Carlo Simulations of Matrix Field Theory

    CERN Document Server

    Ydri, Badis

    2015-01-01

    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...

  10. First-Principles Atomic Force Microscopy Image Simulations with Density Embedding Theory.

    Science.gov (United States)

    Sakai, Yuki; Lee, Alex J; Chelikowsky, James R

    2016-05-11

    We present an efficient first-principles method for simulating noncontact atomic force microscopy (nc-AFM) images using a "frozen density" embedding theory. Frozen density embedding theory enables one to efficiently compute the tip-sample interaction by considering a sample as a frozen external field. This method reduces the extensive computational load of first-principles AFM simulations by avoiding consideration of the entire tip-sample system and focusing on the tip alone. We demonstrate that our simulation with frozen density embedding theory accurately reproduces full density functional theory simulations of freestanding hydrocarbon molecules while the computational time is significantly reduced. Our method also captures the electronic effect of a Cu(111) substrate on the AFM image of pentacene and reproduces the experimental AFM image of Cu2N on a Cu(100) surface. This approach is applicable for theoretical imaging applications on large molecules, two-dimensional materials, and materials surfaces.

  11. Inhomogeneous chemical enrichment in the Galactic Halo

    Science.gov (United States)

    Kobayashi, Chiaki

    2016-08-01

    In a galaxy, chemical enrichment takes place in an inhomogeneous fashion, and the Galactic Halo is one of the places where the inhomogeneous effects are imprinted and can be constrained from observations. I show this using my chemodynamical simulations of Milky Way type galaxies. The scatter in the elemental abundances originate from radial migration, merging/accretion of satellite galaxies, local variation of star formation and chemical enrichment, and intrinsic variation of nucleosynthesis yields. In the simulated galaxies, there is no strong age-metallicity relation. This means that the most metal-poor stars are not always the oldest stars, and can be formed in chemically unevolved clouds at later times. The long-lifetime sources of chemical enrichment such as asymptotic giant branch stars or neutron star mergers can contribute at low metallicities. The intrinsic variation of yields are important in the early Universe or metal-poor systems such as in the Galactic halo. The carbon enhancement of extremely metal-poor (EMP) stars can be best explained by faint supernovae, the low [α/Fe] ratios in some EMP stars naturally arise from low-mass (~ 13 - 15M ⊙) supernovae, and finally, the [α/Fe] knee in dwarf spheroidal galaxies can be produced by subclasses of Type Ia supernovae such as SN 2002cx-like objects and sub-Chandrasekhar mass explosions.

  12. Monte Carlo simulation and self-consistent integral equation theory for polymers in quenched random media.

    Science.gov (United States)

    Sung, Bong June; Yethiraj, Arun

    2005-08-15

    The conformational properties and static structure of freely jointed hard-sphere chains in matrices composed of stationary hard spheres are studied using Monte Carlo simulations and integral equation theory. The simulations show that the chain size is a nonmonotonic function of the matrix density when the matrix spheres are the same size as the monomers. When the matrix spheres are of the order of the chain size the chain size decreases monotonically with increasing matrix volume fraction. The simulations are used to test the replica-symmetric polymer reference interaction site model (RSP) integral equation theory. When the simulation results for the intramolecular correlation functions are input into the theory, the agreement between theoretical predictions and simulation results for the pair-correlation functions is quantitative only at the highest fluid volume fractions and for small matrix sphere sizes. The RSP theory is also implemented in a self-consistent fashion, i.e., the intramolecular and intermolecular correlation functions are calculated self-consistently by combining a field theory with the integral equations. The theory captures qualitative trends observed in the simulations, such as the nonmonotonic dependence of the chain size on media fraction.

  13. 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…

  14. 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…

  15. Use of mental simulations to change theory of planned behaviour variables

    OpenAIRE

    Armitage, Christopher J.; Reidy, John G.

    2008-01-01

    Objectives. The predictive validity of the theory of planned behaviour iswell established, but much less is known about: (a) whether there are causal relationships between key components of the model and (b) how to go about changing the theory of planned behaviour variables. This study tested the ability of outcome and process simulations to change variables specified in the theory of planned behaviour in relation to blood donation.\\ud Design. Participants (N ¼ 146) were randomized to one of ...

  16. High precision simulation techniques for lattice field theory

    CERN Document Server

    Wolff, U

    1993-01-01

    An overview is given over the recently developed and now widely used Monte Carlo algorithms with reduced or eliminated critical slowing down. The basic techniques are overrelaxation, cluster algorithms and multigrid methods. With these tools one is able to probe much closer than before the universal continuum behavior of field theories on the lattice.

  17. 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

  18. 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...

  19. 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 d...

  20. Wandering crowd simulation based on space syntax theory

    Institute of Scientific and Technical Information of China (English)

    ZHENG Liping; SUN Chen; LIU Li; WANG Lin

    2012-01-01

    Space syntax has proven there appears to be a fundamental process that informs human and social usage of an environ- ment, and the effects of spatial configuration on movement patterns are consistent with a model of individual decision behavior. In- troducing space syntax to crowd simulation will enable space structure guide the random movement of the crowd with no specific targets. This paper proposes a simulation method of the wandering crowd, which calculates the crowd distribution corresponding to the space through space syntax and uses a hybrid path planning algorithm to dynamically navigate the crowd to conform to the dis- tribution. Experiments show the presented method can obtain reasonable and vision-realistic simulation results.

  1. 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.

  2. Hybrid simulation theory for a classical nonlinear dynamical system

    Science.gov (United States)

    Drazin, Paul L.; Govindjee, Sanjay

    2017-03-01

    Hybrid simulation is an experimental and computational technique which allows one to study the time evolution of a system by physically testing a subset of it while the remainder is represented by a numerical model that is attached to the physical portion via sensors and actuators. The technique allows one to study large or complicated mechanical systems while only requiring a subset of the complete system to be present in the laboratory. This results in vast cost savings as well as the ability to study systems that simply can not be tested due to scale. However, the errors that arise from splitting the system in two requires careful attention, if a valid simulation is to be guaranteed. To date, efforts to understand the theoretical limitations of hybrid simulation have been restricted to linear dynamical systems. In this work we consider the behavior of hybrid simulation when applied to nonlinear dynamical systems. As a model problem, we focus on the damped, harmonically-driven nonlinear pendulum. This system offers complex nonlinear characteristics, in particular periodic and chaotic motions. We are able to show that the application of hybrid simulation to nonlinear systems requires a careful understanding of what one expects from such an experiment. In particular, when system response is chaotic we advocate the need for the use of multiple metrics to characterize the difference between two chaotic systems via Lyapunov exponents and Lyapunov dimensions, as well as correlation exponents. When system response is periodic we advocate the use of L2 norms. Further, we are able to show that hybrid simulation can falsely predict chaotic or periodic response when the true system has the opposite characteristic. In certain cases, we are able to show that control system parameters can mitigate this issue.

  3. Numerical simulation of optical vortex propagation and reflection by the methods of scalar diffraction theory

    Energy Technology Data Exchange (ETDEWEB)

    Petrov, Nikolay V; Pavlov, Pavel V; Malov, A N

    2013-06-30

    Using the equations of scalar diffraction theory we consider the formation of an optical vortex on a diffractive optical element. The algorithms are proposed for simulating the processes of propagation of spiral wavefronts in free space and their reflections from surfaces with different roughness parameters. The given approach is illustrated by the results of numerical simulations. (propagation of wave fronts)

  4. Impact Tsunami Calculations: Hydrodynamical Simulations vs. Linear Theory

    Science.gov (United States)

    Korycansky, E.; Asphaug, E.; Ward, S. N.

    2003-01-01

    Tsunamis generated by the impacts of asteroids and comets into the Earth oceans are widely recognized as a potential catastrophic hazard to the Earth s population. Our general conclusion is that linear theory is a reasonably accurate guide to behavior of tsunamis generated by impactors of moderate size, where the initial transient impact cavity is of moderate depth compared to the ocean depth. This is particularly the case for long wavelength waves that propagate fastest and would reach coastlines first. Such tsunamis would be generated in the open ocean by impactors of 300 meters in diameter, which might be expected to strike the Earth once every few thousand years, on the average. Larger impactors produce cavities deep enough to reach the ocean floor; even here, linear theory is applicable if the starting point is chosen at a later phase in the calculation when the impact crater has slumped back to produce a cavity of moderate depth and slope.

  5. Sustainable Development and Spatial Inhomogeneities

    Science.gov (United States)

    Weisbuch, Gérard

    2013-05-01

    Historical data, theory and computer simulations support a connection between growth and economic inequality. Our present world with large regional differences in economic activity is a result of fast economic growth during the last two centuries. Because of limits to growth we might expect a future world to develop differently with far less growth. The question that we here address is: "Would a world with a sustainable economy be less unequal?" We then develop integrated spatial economic models based on limited resources consumption and technical knowledge accumulation and study them by the way of computer simulations. When the only coupling between world regions is diffusion we do not observe any spatial unequality. By contrast, highly localized economic activities are maintained by global market mechanisms. Structures sizes are determined by transportation costs. Wide distributions of capital and production are also predicted in this regime.

  6. Double-electron ionization driven by inhomogeneous fields

    CERN Document Server

    Chacón, A; Cucchietti, F; Suárez, N; Pérez-Hernández, J A; Ciappina, M F; Landsman, A S; Lewenstein, M

    2016-01-01

    Electron-electron correlation effects play an instrumental role in our understanding of sequential (SDI) and non-sequential double ionization (NSDI) mechanisms. Here, we present a theoretical study of NSDI driven by plasmonic-enhanced spatial inhomogeneous fields. By numerically solving the time-dependent Schr\\"odinger equation for a linear reduced model of He and a double-electron time-evolution probability analysis, we provide evidence for the enhancement effects in NSDI showing that the double ionization yield at lower laser peak intensities is increased due to the inhomogeneity of the laser field. Furthermore, our quantum mechanical model, as well as classical trajectory Monte Carlo simulations, show that inhomogeneous fields are a useful tool for splitting the binary and recoil processes in the rescattering scenario.

  7. Thermodynamic properties of van der Waals fluids from Monte Carlo simulations and perturbative Monte Carlo theory.

    Science.gov (United States)

    Díez, A; Largo, J; Solana, J R

    2006-08-21

    Computer simulations have been performed for fluids with van der Waals potential, that is, hard spheres with attractive inverse power tails, to determine the equation of state and the excess energy. On the other hand, the first- and second-order perturbative contributions to the energy and the zero- and first-order perturbative contributions to the compressibility factor have been determined too from Monte Carlo simulations performed on the reference hard-sphere system. The aim was to test the reliability of this "exact" perturbation theory. It has been found that the results obtained from the Monte Carlo perturbation theory for these two thermodynamic properties agree well with the direct Monte Carlo simulations. Moreover, it has been found that results from the Barker-Henderson [J. Chem. Phys. 47, 2856 (1967)] perturbation theory are in good agreement with those from the exact perturbation theory.

  8. apeNEXT: A multi-TFlops Computer for Simulations in Lattice Gauge Theory

    CERN Document Server

    Bodin, F; Cabibbo, Nicola; Carlo, F D; De Pietri, R; Renzo, F D; Kaldass, H; Lonardo, A; Lukyanov, M; De Luca, S; Micheli, J; Morénas, V; Pène, O; Pleiter, D; Paschedag, N; Rapuano, F; Sartori, L; Schifano, F; Simma, H; Tripiccione, R; Vicini, P; Boucaud, Ph.

    2003-01-01

    We present the APE (Array Processor Experiment) project for the development of dedicated parallel computers for numerical simulations in lattice gauge theories. While APEmille is a production machine in today's physics simulations at various sites in Europe, a new machine, apeNEXT, is currently being developed to provide multi-Tflops computing performance. Like previous APE machines, the new supercomputer is largely custom designed and specifically optimized for simulations of Lattice QCD.

  9. Simulation and reliability analysis of shunt active power filter based on instantaneous reactive power theory

    Institute of Scientific and Technical Information of China (English)

    CUI Yu-long; LIU Hong; WANG Jing-qin; SUN Shu-guang

    2007-01-01

    This paper first discusses the operating principle ofinstantaneous reactive power theory. Then, the theory is introduced into shunt active power filter and its control scheme is studied. Finally, Matlab/Simulink power system toolbox is used to simulate the system. In the simulation model, as the most common harmonic source, 3-phase thyfistor bridge rectifier circuit is constructed.The simulation results before and after the shunt active filter was switched to the system corresponding to different firing angles of the thyristors are presented and analyzed, which demonstrate the practicability and reliability of the proposed shunt active filter scheme.

  10. Digital quantum simulation of $\\mathbb{Z}_2$ lattice gauge theories with dynamical fermionic matter

    CERN Document Server

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

    2016-01-01

    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 $\\mathbb{Z}_2$ model in $2+1$ dimensions.

  11. Optical response of strongly absorbing inhomogeneous materials: Application to paper degradation

    Science.gov (United States)

    Missori, M.; Pulci, O.; Teodonio, L.; Violante, C.; Kupchak, I.; Bagniuk, J.; Łojewska, J.; Conte, A. Mosca

    2014-02-01

    In this paper, we present a new noninvasive and nondestructive approach to recover scattering and absorption coefficients from reflectance measurements of highly absorbing and optically inhomogeneous media. Our approach is based on the Yang and Miklavcic theoretical model of light propagation through turbid media, which is a generalization of the Kubelka-Munk theory, extended to accommodate optically thick samples. We show its applications to paper, a material primarily composed of a web of fibers of cellulose, whose optical properties are strongly governed by light scattering effects. Samples studied were ancient and industrial paper sheets, aged in different conditions and highly absorbing in the ultraviolet region. The recovered experimental absorptions of cellulose fibers have been compared to theoretical ab initio quantum-mechanical computational simulations carried out within time-dependent density functional theory. In this way, for each sample, we evaluate the absolute concentration of different kinds of oxidized groups formed upon aging and acting as chromophores causing paper discoloration. We found that the relative concentration of different chromophores in cellulose fibers depends on the aging temperature endured by samples. This clearly indicates that the oxidation of cellulose follows temperature-dependent reaction pathways. Our approach has a wide range of applications for cellulose-based materials, like paper, textiles, and other manufactured products of great industrial and cultural interest, and can potentially be extended to other strongly absorbing inhomogeneous materials.

  12. 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....

  13. Sedimentation equilibria in polydisperse ferrofluids: critical comparisons between experiment, theory, and computer simulation.

    Science.gov (United States)

    Elfimova, Ekaterina A; Ivanov, Alexey O; Lakhtina, Ekaterina V; Pshenichnikov, Alexander F; Camp, Philip J

    2016-05-14

    The sedimentation equilibrium of dipolar particles in a ferrofluid is studied using experiment, theory, and computer simulation. A theory of the particle-concentration profile in a dipolar hard-sphere fluid is developed, based on the local-density approximation and accurate expressions from a recently introduced logarithmic free energy approach. The theory is tested critically against Monte Carlo simulation results for monodisperse and bidisperse dipolar hard-sphere fluids in homogeneous gravitational fields. In the monodisperse case, the theory is very accurate over broad ranges of gravitational field strength, volume fraction, and dipolar coupling constant. In the bidisperse case, with realistic dipolar coupling constants and compositions, the theory is excellent at low volume fraction, but is slightly inaccurate at high volume fraction in that it does not capture a maximum in the small-particle concentration profile seen in simulations. Possible reasons for this are put forward. Experimental measurements of the magnetic-susceptibility profile in a real ferrofluid are then analysed using the theory. The concentration profile is linked to the susceptibility profile using the second-order modified mean-field theory. It is shown that the experimental results are not consistent with the sample being monodisperse. By introducing polydispersity in the simplest possible way, namely by assuming the system is a binary mixture, almost perfect agreement between theory and experiment is achieved.

  14. 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

  15. Simulation of Welding Distortions in Theory and Practice

    DEFF Research Database (Denmark)

    Birk-Sørensen, Martin; Kierkegaard, Henning

    1997-01-01

    In the last few years the use of robot welding processes has increased significatnly. The programming of the robots has until now mainly focused on high efficiency, i.e.high torch rate time, and hence, minimising the inefficient "travelling" time. Together with developing high-performance welding....... A finite element program has been used to simulate a one-sided fillet weld. The simulation agrees reasonably with the measurements. The analysis is divided into two tasks: temperature distribution and non-linear elalstic-plastic behaviour of the material. The temperature distribution is found by use...... of Rosenthal's analytical solution for a 2D finite plate. The temperature profile is used in an FE-model, which solves the mechanical problem. Finally, a simple analytical expression has been set up to calculate the bending of a rectangular plate by an asymmetric temperature profile....

  16. 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.

  17. 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

  18. Model of non-stationary, inhomogeneous turbulence

    Science.gov (United States)

    Bragg, Andrew D.; Kurien, Susan; Clark, Timothy T.

    2017-02-01

    We compare results from a spectral model for non-stationary, inhomogeneous turbulence (Besnard et al. in Theor Comp Fluid Dyn 8:1-35, 1996) with direct numerical simulation (DNS) data of a shear-free mixing layer (SFML) (Tordella et al. in Phys Rev E 77:016309, 2008). The SFML is used as a test case in which the efficacy of the model closure for the physical-space transport of the fluid velocity field can be tested in a flow with inhomogeneity, without the additional complexity of mean-flow coupling. The model is able to capture certain features of the SFML quite well for intermediate to long times, including the evolution of the mixing-layer width and turbulent kinetic energy. At short-times, and for more sensitive statistics such as the generation of the velocity field anisotropy, the model is less accurate. We propose two possible causes for the discrepancies. The first is the local approximation to the pressure-transport and the second is the a priori spherical averaging used to reduce the dimensionality of the solution space of the model, from wavevector to wavenumber space. DNS data are then used to gauge the relative importance of both possible deficiencies in the model.

  19. Effects of diffusion in magnetically inhomogeneous media on rotating frame spin-lattice relaxation

    Science.gov (United States)

    Spear, John T.; Gore, John C.

    2014-12-01

    In an aqueous medium containing magnetic inhomogeneities, diffusion amongst the intrinsic susceptibility gradients contributes to the relaxation rate R1ρ of water protons to a degree that depends on the magnitude of the local field variations ΔBz, the geometry of the perturbers inducing these fields, and the rate of diffusion of water, D. This contribution can be reduced by using stronger locking fields, leading to a dispersion in R1ρ that can be analyzed to derive quantitative characteristics of the material. A theoretical expression was recently derived to describe these effects for the case of sinusoidal local field variations of a well-defined spatial frequency q. To evaluate the degree to which this dispersion may be extended to more realistic field patterns, finite difference Bloch-McConnell simulations were performed with a variety of three-dimensional structures to reveal how simple geometries affect the dispersion of spin-locking measurements. Dispersions were fit to the recently derived expression to obtain an estimate of the correlation time of the field variations experienced by the spins, and from this the mean squared gradient and an effective spatial frequency were obtained to describe the fields. This effective spatial frequency was shown to vary directly with the second moment of the spatial frequency power spectrum of the ΔBz field, which is a measure of the average spatial dimension of the field variations. These results suggest the theory may be more generally applied to more complex media to derive useful descriptors of the nature of field inhomogeneities. The simulation results also confirm that such diffusion effects disperse over a range of locking fields of lower amplitude than typical chemical exchange effects, and should be detectable in a variety of magnetically inhomogeneous media including regions of dense microvasculature within biological tissues.

  20. 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.)

  1. Z_c(3900): confronting theory and lattice simulations

    Science.gov (United States)

    Albaladejo, Miguel; Fernandez-Soler, Pedro; Nieves, Juan

    2016-10-01

    We consider a recent T-matrix analysis by Albaladejo et al. (Phys Lett B 755:337, 2016), which accounts for the J/ψ π and D^*bar{D} coupled-channels dynamics, and which successfully describes the experimental information concerning the recently discovered Z_c(3900)^± . Within such scheme, the data can be similarly well described in two different scenarios, where Z_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_c(3900) state.

  2. $Z_c(3900)$: Confronting theory and lattice simulations

    CERN Document Server

    Albaladejo, M; Fernandez-Soler, P

    2016-01-01

    We consider a recent $T$-matrix analysis by Albaladejo {\\it et al.}, [Phys.\\ Lett.\\ B {\\bf 755}, 337 (2016)] which accounts for the $J/\\psi\\pi$ and $D^\\ast\\bar{D}$ coupled--channels dynamics, and that successfully describes the experimental information concerning the recently discovered $Z_c(3900)^\\pm$. Within such scheme, the data can be similarly well described in two different scenarios, where the $Z_c(3900)$ 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 {\\it et al.} [Phys.\\ Rev.\\ D {\\bf 91}, 014504 (2015)], making thus difficult to disentangle between both possibilities. We also study the volume dependence of the energy levels obtained with our formalism, and suggest that LQCD simulations performed at several vo...

  3. Linear interfacial polymerization: theory and simulations with dissipative particle dynamics.

    Science.gov (United States)

    Berezkin, Anatoly V; Kudryavtsev, Yaroslav V

    2014-11-21

    Step-growth alternating interfacial polymerization between two miscible or immiscible monomer melts is investigated theoretically and by dissipative particle dynamics simulations. In both cases the kinetics for an initially bilayer system passes from the reaction to diffusion control. The polymer composed of immiscible monomers precipitates at the interface forming a film of nearly uniform density. It is demonstrated that the reaction proceeds in a narrow zone, which expands much slower than the whole film, so that newly formed polymer is extruded from the reaction zone. This concept of "reactive extrusion" is used to analytically predict the degree of polymerization and distribution of all components (monomers, polymer, and end groups) within the film in close agreement with the simulations. Increasing the comonomer incompatibility leads to thinner and more uniform films with the higher average degree of polymerization. The final product is considerably more polydisperse than expected for the homogeneous step-growth polymerization. The results extend the previous theoretical reports on interfacial polymerization and provide new insights into the internal film structure and polymer characteristics, which are important for membrane preparation, microencapsulation, and 3D printing technologies. A systematic way of mapping the simulation data onto laboratory scales is discussed.

  4. Scattering of acoustic waves by macroscopically inhomogeneous poroelastic tubes.

    Science.gov (United States)

    Groby, J-P; Dazel, O; Depollier, C; Ogam, E; Kelders, L

    2012-07-01

    Wave propagation in macroscopically inhomogeneous porous materials has received much attention in recent years. For planar configurations, the wave equation, derived from the alternative formulation of Biot's theory of 1962, was reduced and solved recently: first in the case of rigid frame inhomogeneous porous materials and then in the case of inhomogeneous poroelastic materials in the framework of Biot's theory. This paper focuses on the solution of the full wave equation in cylindrical coordinates for poroelastic tubes in which the acoustic and elastic properties of the poroelastic tube vary in the radial direction. The reflection coefficient 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 in the case of a two-layer poroelastic tube. As an example, a long bone excited in the sagittal plane is considered. Finally, a discussion is given of ultrasonic time domain scattered field for various inhomogeneity profiles, which could lead to the prospect of long bone characterization.

  5. Integration of inhomogeneous cosmological spacetimes in the BSSN formalism

    CERN Document Server

    Mertens, James B; Starkman, Glenn D

    2015-01-01

    We present cosmological-scale numerical simulations of an evolving universe in full general relativity (GR) and introduce a new numerical tool, {\\sc CosmoGRaPH}, which employs the Baumgarte-Shapiro-Shibata-Nakamura (BSSN) formalism on a 3-dimensional grid. Using {\\sc CosmoGRaPH}, we calculate the effect of an inhomogeneous matter distribution on the evolution of a spacetime. We also present the results of a set of standard stability tests to demonstrate the robustness of our simulations.

  6. The thermoelectric properties of inhomogeneous holographic lattices

    CERN Document Server

    Donos, Aristomenis

    2014-01-01

    We consider inhomogeneous, periodic, holographic lattices of D=4 Einstein-Maxwell theory. We show that the DC thermoelectric conductivity matrix can be expressed analytically in terms of the horizon data of the corresponding black hole solution. We numerically construct such black hole solutions for lattices consisting of one, two and ten wave-numbers. We numerically determine the AC electric conductivity which reveals Drude physics as well as resonances associated with sound modes. No evidence for an intermediate frequency scaling regime is found. All of the monochromatic lattice black holes that we have constructed exhibit scaling behaviour at low temperatures which is consistent with the appearance of $AdS_2\\times\\mathbb{R}^2$ in the far IR at T=0.

  7. Specific language impairment, theory of mind, and visual perspective taking: evidence for simulation theory and the developmental role of language.

    Science.gov (United States)

    Farrant, Brad M; Fletcher, Janet; Maybery, Murray T

    2006-01-01

    Recent research has found that the acquisition of theory of mind (ToM) is delayed in children with specific language impairment (SLI). The present study used a battery of ToM and visual perspective taking (VPT) tasks to investigate whether the delayed acquisition of ToM in children with SLI is associated with delayed VPT development. Harris' (1992, 1996) simulation theory predicts that the development of VPT will be delayed. Participants were 20 children with SLI (M=62.9 months) and 20 typically developing children (M=61.2 months) who were matched for nonverbal ability, gender, and age. The results supported Harris' theory and a role for language in ToM and VPT development.

  8. Affine diffusions and related processes simulation, theory and applications

    CERN Document Server

    Alfonsi, Aurélien

    2015-01-01

    This book gives an overview of affine diffusions, from Ornstein-Uhlenbeck processes to Wishart processes and it considers some related diffusions such as Wright-Fisher processes. It focuses on different simulation schemes for these processes, especially second-order schemes for the weak error. It also presents some models, mostly in the field of finance, where these methods are relevant and provides some numerical experiments. The book explains the mathematical background to understand affine diffusions and analyze the accuracy of the schemes.  

  9. Moving inhomogeneous envelopes of stars

    CERN Document Server

    Oskinova, Lidia M; Hamann, Wolf-Rainer

    2016-01-01

    Massive stars are extremely luminous and drive strong winds, blowing a large part of their matter into the galactic environment before they finally explode as a supernova. Quantitative knowledge of massive star feedback is required to understand our Universe as we see it. Traditionally, massive stars have been studied under the assumption that their winds are homogeneous and stationary, largely relying on the Sobolev approximation. However, observations with the newest instruments, together with progress in model calculations, ultimately dictate a cardinal change of this paradigm: stellar winds are highly inhomogeneous. Hence, we are now advancing to a new stage in our understanding of stellar winds. Using the foundations laid by V.V. Sobolev and his school, we now update and further develop the stellar spectral analysis techniques. New sophisticated 3-D models of radiation transfer in inhomogeneous expanding media elucidate the physics of stellar winds and improve classical empiric mass-loss rate diagnostics...

  10. Quasiadiabatic modes from viscous inhomogeneities

    CERN Document Server

    Giovannini, Massimo

    2016-01-01

    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...

  11. Inhomogeneous and interacting vacuum energy

    CERN Document Server

    De-Santiago, Josue; Wang, Yuting

    2012-01-01

    Vacuum energy is a simple model for dark energy driving an accelerated expansion of the universe. If the vacuum energy is inhomogeneous in spacetime then it must be interacting. We present the general equations for a spacetime-dependent vacuum energy in cosmology, including inhomogeneous perturbations. We show how any dark energy cosmology can be described by an interacting vacuum+matter. Different models for the interaction can lead to different behaviour (e.g., sound speed for dark energy perturbations) and hence could be distinguished by cosmological observations. As an example we present the cosmic microwave microwave background anisotropies and the matter power spectrum for two different versions of a generalised Chaplygin gas cosmology.

  12. Kinetics of a Multilamellar Lipid Vesicle Ripening: Simulation and Theory.

    Science.gov (United States)

    Xu, Rui; He, Xuehao

    2016-03-10

    Lipid vesicle ripening via unimolecular diffusion and exchange greatly influences the evolution of complex vesicle structure. However, this behavior is difficult to capture using conventional experimental technology and molecular simulation. In the present work, the ripening of a multilamellar lipid vesicle (MLV) is effectively explored using a mesoscale coarse-grained molecular model. The simulation reveals that a small MLV evolves into a unilamellar vesicle over a very long time period. In this process, only the outermost bilayer inflates, and the inner bilayers shrink. With increasing MLV size, the ripening process becomes complex and depends on competition between a series of adjacent bilayers in the MLV. To understand the diffusion behavior of the unimolecule, the potentials of mean force (PMFs) of a single lipid molecule across unilamellar vesicles with different sizes are calculated. It is found that the PMF of lipid dissociation from the inner layer is different than that of the outer layer, and the dissociation energy barrier sensitively depends on the curvature of the bilayer. A kinetics theoretical model of MLV ripening that considers the lipid dissociation energy for curved bilayers is proposed. The model successfully interprets the MLV ripening process with various numbers of bilayers and shows potential to predict the ripening kinetics of complex lipid vesicles.

  13. Negotiating the role of the professional nurse: The pedagogy of simulation: a grounded theory study.

    Science.gov (United States)

    Walton, Joni; Chute, Elizabeth; Ball, Lynda

    2011-01-01

    Simulation is the mainstay of laboratory education in health sciences, yet there is a void of pedagogy-the art and science of teaching. Nursing faculty does not have adequate evidence-based resources related to how students learn through simulation. The research questions that were addressed were as follows: (a) How do students learn using simulation? (b) What is the process of learning with simulations from the students' perspective? (c) What faculty teaching styles promote learning? and (d) How can faculty support students during simulation? Grounded theory methodology was used to explore how senior baccalaureate nursing students learn using simulation. Twenty-six students participated in this research study. Sixteen nursing students who completed two semesters of simulation courses volunteered for in-depth audio-taped interviews. In addition, there were two focus groups with five senior students in each group who validated findings and identified faculty teaching styles and supportive interventions. Negotiating the Role of the Professional Nurse was the core category, which included the following phases (I) feeling like an imposter, (II) trial and error, (III) taking it seriously, (IV) transference of skills and knowledge, and (V) professionalization. Faculty traits and teaching strategies for teaching with simulation were also identified. A conceptual model of the socialization process was developed to assist faculty in understanding the ways students learn with simulation and ways to facilitate their development. These findings provide a midrange theory for the pedagogy of simulation and will help faculty gain insight and help to assimilate into teaching-learning strategies.

  14. Quasiadiabatic modes from viscous inhomogeneities

    OpenAIRE

    Giovannini, Massimo

    2016-01-01

    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 repea...

  15. Applying Educational Theory to Simulation-Based Training and Assessment in Surgery.

    Science.gov (United States)

    Chauvin, Sheila W

    2015-08-01

    Considerable progress has been made regarding the range of simulator technologies and simulation formats. Similarly, results from research in human learning and behavior have facilitated the development of best practices in simulation-based training (SBT) and surgical education. Today, SBT is a common curriculum component in surgical education that can significantly complement clinical learning, performance, and patient care experiences. Beginning with important considerations for selecting appropriate forms of simulation, several relevant educational theories of learning are described. Copyright © 2015 Elsevier Inc. All rights reserved.

  16. 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.

  17. Perspective: Theory and simulation of hybrid halide perovskites

    Science.gov (United States)

    Whalley, Lucy D.; Frost, Jarvist M.; Jung, Young-Kwang; Walsh, Aron

    2017-06-01

    Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modeling. Such "plastic crystals" feature dynamic processes across multiple length and time scales. These include the following: (i) transport of slow ions and fast electrons; (ii) highly anharmonic lattice dynamics with short phonon lifetimes; (iii) local symmetry breaking of the average crystallographic space group; (iv) strong relativistic (spin-orbit coupling) effects on the electronic band structure; and (v) thermodynamic metastability and rapid chemical breakdown. These issues, which affect the operation of solar cells, are outlined in this perspective. We also discuss general guidelines for performing quantitative and predictive simulations of these materials, which are relevant to metal-organic frameworks and other hybrid semiconducting, dielectric and ferroelectric compounds.

  18. Molecular rattling in two-dimensional fluids: Simulations and theory

    Science.gov (United States)

    Variyar, Jayasankar E.; Kivelson, Daniel; Tarjus, Gilles; Talbot, Julian

    1992-01-01

    We have carried out molecular dynamic simulations over a range of densities for two-dimensional fluids consisting of hard, soft, and Lennard-Jones disks. For comparison we have also carried out simulations for the corresponding systems in which all but one particle are frozen in position. We have studied the velocity autocorrelation functions and the closely related velocity-sign autocorrelation functions, and have examined the probabilities per unit time that a particle will undergo a first velocity sign reversal after an elapsed time t measured alternately from the last velocity reversal or from a given arbitrary time. At all densities studied, the first of these probabilities per unit time is zero at t=0 and rises to a maximum at a later time, but as the hardness of the disks is increased, the maximum moves in toward t→0. This maximum can be correlated with the ``negative'' dip observed in the velocity correlation functions when plotted versus time. Our conclusion is that all these phenomena can be explained qualitatively on the basis of a model where memory does not extend back beyond the last velocity reversal. However, at high density, the velocity-sign-autocorrelation function not only shows a negative dip (which is explained by the model) but also a second ``oscillation'' which is not described, even qualitatively, by the model. We conclude that the first dip in the velocity and velocity-sign correlation functions can occur even if there are no correlated or coherent librations, but the existence of a ``second'' oscillation is a better indication of such correlations.

  19. Large-scale flow generation by inhomogeneous helicity

    CERN Document Server

    Yokoi, Nobumitsu

    2015-01-01

    The effect of kinetic helicity (velocity--vorticity correlation) on turbulent momentum transport is investigated. The turbulent kinetic helicity (pseudoscalar) enters into the Reynolds stress (mirrorsymmetric tensor) expression in the form of a helicity gradient as the coupling coefficient for the mean vorticity and/or the angular velocity (axial vector), which suggests the possibility of mean-flow generation in the presence of inhomogeneous helicity. This inhomogeneous helicity effect, which was previously confirmed at the level of a turbulence- or closure-model simulation, is examined with the aid of direct numerical simulations of rotating turbulence with non-uniform helicity sustained by an external forcing. The numerical simulations show that the spatial distribution of the Reynolds stress is in agreement with the helicity-related term coupled with the angular velocity, and that a large-scale flow is generated in the direction of angular velocity. Such a large-scale flow is not induced in the case of hom...

  20. Molecular theories and simulation of ions and polar molecules in water

    CERN Document Server

    Hummer, G; García, A; Hummer, Gerhard; Pratt, Lawrence R.; Garcia, Angel E.

    1998-01-01

    Recent developments in molecular theories and simulation of ions and polar molecules in water are reviewed. The hydration of imidazole and imidazolium solutes is used to exemplify the theoretical issues. The treatment of long-ranged electrostatic interactions in simulations is discussed extensively. It is argued that the Ewald approach is an easy way to get correct hydration free energies in the thermodynamic limit from molecular calculations; and that molecular simulations with Ewald interactions and periodic boundary conditions can also be more efficient than many common alternatives. The Ewald treatment permits a conclusive extrapolation to infinite system size. The picture that emerges from testing of simple models is that the most prominent failings of the simplest theories are associated with solvent proton conformations that lead to non-gaussian fluctuations of electrostatic potentials. Thus, the most favorable cases for the second-order perturbation theories are monoatomic positive ions. For polar and...

  1. Radioscience simulations in General Relativity and in alternative theories of gravity

    CERN Document Server

    Hees, A; Reynaud, S; Jaekel, M -T; Poncin-Lafitte, C Le; Lainey, V; Füzfa, A; Courty, J -M; Dehant, V; Wolf, P

    2012-01-01

    In this paper, we focus on the possibility to test General Relativity in the Solar System with radioscience measurements. To this aim, we present a new software that simulates Range and Doppler signals directly from the space-time metric. This flexible approach allows one to perform simulations in General Relativity and in alternative metric theories of gravity. In a second step, a least-squares fit of the different initial conditions involved in the situation is performed in order to compare anomalous signals produced by a given alternative theory with the ones obtained in General Relativity. This software provides orders of magnitude and signatures stemming from hypothetical alternative theories of gravity on radioscience signals. As an application, we present some simulations done for the Cassini mission in Post-Einsteinian Gravity and in the context of MOND External Field Effect. We deduce constraints on the Post-Einsteinian parameters but find that the considered arc of the Cassini mission is not useful ...

  2. Macroion solutions in the cell model studied by field theory and Monte Carlo simulations.

    Science.gov (United States)

    Lue, Leo; Linse, Per

    2011-12-14

    Aqueous solutions of charged spherical macroions with variable dielectric permittivity and their associated counterions are examined within the cell model using a field theory and Monte Carlo simulations. The field theory is based on separation of fields into short- and long-wavelength terms, which are subjected to different statistical-mechanical treatments. The simulations were performed by using a new, accurate, and fast algorithm for numerical evaluation of the electrostatic polarization interaction. The field theory provides counterion distributions outside a macroion in good agreement with the simulation results over the full range from weak to strong electrostatic coupling. A low-dielectric macroion leads to a displacement of the counterions away from the macroion.

  3. Solution structures of rat amylin peptide: simulation, theory, and experiment.

    Science.gov (United States)

    Reddy, Allam S; Wang, Lu; Lin, Yu-Shan; Ling, Yun; Chopra, Manan; Zanni, Martin T; Skinner, James L; De Pablo, Juan J

    2010-02-01

    Amyloid deposits of amylin in the pancreas are an important characteristic feature found in patients with Type-2 diabetes. The aggregate has been considered important in the disease pathology and has been studied extensively. However, the secondary structures of the individual peptide have not been clearly identified. In this work, we present detailed solution structures of rat amylin using a combination of Monte Carlo and molecular dynamics simulations. A new Monte Carlo method is presented to determine the free energy of distinct biomolecular conformations. Both folded and random-coil conformations of rat amylin are observed in water and their relative stability is examined in detail. The former contains an alpha-helical segment comprised of residues 7-17. We find that at room temperature the folded structure is more stable, whereas at higher temperatures the random-coil structure predominates. From the configurations and weights we calculate the alpha-carbon NMR chemical shifts, with results that are in reasonable agreement with experiments of others. We also calculate the infrared spectrum in the amide I stretch regime, and the results are in fair agreement with the experimental line shape presented herein.

  4. Statistical Properties of Car Following: Theory and Driving Simulator Experiments

    CERN Document Server

    Ando, Hiromasa; Zgonnikov, Arkady; Saito, Yoshiaki

    2015-01-01

    A fair simple car driving simulator was created based on the open source engine TORCS and used in car-following experiments aimed at studying the basic features of human behavior in car driving. Four subjects with different skill in driving real cars participated in these experiments. The subjects were instructed to drive a car without overtaking and losing sight of a lead car driven by computer at a fixed speed. Based on the collected data the distributions of the headway distance, the car velocity, acceleration, and jerk are constructed and compared with the available experimental data for the real traffic flow. A new model for the car-following is proposed to capture the found properties. As the main result, we draw a conclusion that human actions in car driving should be categorized as generalized intermittent control with noise-driven activation. Besides, we hypothesize that the car jerk together with the car acceleration are additional phase variables required for describing the dynamics of car motion g...

  5. Theory and simulation of the shielding of emitting dust particles

    Science.gov (United States)

    Delzanno, G. L.; Bruno, A.; Lapenta, Giovanni; Sorasio, G.

    2004-11-01

    In the present work we focus on the role of electron emission (either thermionic, secondary or photoelectric) in charging an object immersed in a plasma. In fact, it is well known that the higher mobility of the plasma electrons (that would lead to negatively charged objects) can be overcome by electron emission, thus reversing the object polarity. Moreover, recent work [1] has shown how electron emission can fundamentally affect the shielding potential around the dust. In particular, depending on the physical parameters of the system (that were chosen such to correspond to common experimental conditions), the shielding potential can develop an attractive potential well. The aim of the present work is two-fold. First, we will present a parametric study in order to explain the conditions for the formation, as well as the stability of the well, based on a theoretical model of electron emission from the grain. Furthermore, simulations will be presented with physical parameters corresponding to specific laboratory, space and astrophysics systems. [1] G.L. Delzanno, G. Lapenta, M. Rosenberg, Phys. Rev. Lett., 92, 035002 (2004).

  6. Influence of inhomogeneities on holographic mutual information and butterfly effect

    Science.gov (United States)

    Cai, Rong-Gen; Zeng, Xiao-Xiong; Zhang, Hai-Qing

    2017-07-01

    We study the effect of inhomogeneity, which is induced by the graviton mass in massive gravity, on the mutual information and the chaotic behavior of a 2+1-dimensional field theory from the gauge/gravity duality. When the system is near-homogeneous, the mutual information increases as the graviton mass grows. However, when the system is far from homogeneity, the mutual information decreases as the graviton mass increases. By adding the perturbations of energy into the system, we investigate the dynamical mutual information in the shock wave geometry. We find that the greater perturbations disrupt the mutual information more rapidly, which resembles the butterfly effect in chaos theory. Besides, the greater inhomogeneity reduces the dynamical mutual information more quickly just as in the static case.

  7. Radioscience simulations in General Relativity and in alternative theories of gravity

    CERN Document Server

    Hees, Aurelien; Lamine, Brahim; Reynaud, Serge; Jaekel, Marc-Thierry; Poncin-Lafitte, Christophe Le; Lainey, Valery; Fuzfa, Andre; Dehant, Veronique

    2011-01-01

    In this communication, we focus on the possibility to test GR with radioscience experiments. We present a new software that in a first step simulates the Range/Doppler signals directly from the space time metric (thus in GR and in alternative theories of gravity). In a second step, a least-squares fit of the involved parameters is performed in GR. This software allows one to get the order of magnitude and the signature of the modifications induced by an alternative theory of gravity on radioscience signals. As examples, we present some simulations for the Cassini mission in Post-Einsteinian gravity and with the MOND External Field Effect.

  8. Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory.

    Science.gov (United States)

    Schlesinger, Daniel; Sellberg, Jonas A; Nilsson, Anders; Pettersson, Lars G M

    2016-03-28

    In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.

  9. 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......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...

  10. The Effect of Habitat Inhomogeneities and Fragmentation on Population Density and Time to Extinction

    Energy Technology Data Exchange (ETDEWEB)

    Kostova, T; Carlsen, T

    2003-12-22

    We present a study, based on simulations with SERDYCA, a spatially-explicit individual based model of rodent dynamics, on the connection between population persistence and the presence of inhomogeneities in the habitat. We are specifically interested on the effect that inhomogeneities that do not fragment the environment, have on population persistence. Our results suggest that a certain percentage of inhomogeneities can increase the average time to extinction of the population. Inhomogeneities decrease the population density and can increase the ratio of juveniles in the population thus providing a better chance for the population to restore itself after a severe period with critically low population density. We call this the ''inhomogeneity localization effect''.

  11. Application of Fractal Theory in Simulation of Ferromagnetic Elements' Hysteresis Loop in Transformer

    Institute of Scientific and Technical Information of China (English)

    毕军; 付梦印; 张宇河

    2003-01-01

    The simulation of the transformer transient is one of the indispensable qualifications for improving the performance of transformer protection, the key technique of the transformer's transient simulation is the treatment of ferromagnetic elements' loop. Thus the shapes of the primary hysteresis loop and each internal secondary hysteresis loop in the identical magnetism conducting are analyzed, and then it is proposed that there are some fractal characteristics in the relation between them. The fractal phenomenon of the ferromagnetic elements' hysteresis loop in the transformer's transient simulation is first brought forward, the mutuality between the ferromagnetic elements' primary hysteresis loop and its secondary hysteresis loops is revealed in mechanism by using the fractal theory. According to the iterated function system of fractal theory, the secondary hysteresis loops can be generated by the iterative calculation of the primary loop. The simulation results show the validity of this idea.

  12. 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.

  13. Investigation of effects of inhomogeneous exchange within ferrites

    Energy Technology Data Exchange (ETDEWEB)

    Kuetche, Victor K., E-mail: vkuetche@yahoo.fr [National Advanced School of Engineering, University of Yaounde I, P.O. Box 8390 (Cameroon); Centre d' Excellence en Technologies de l' Information et de la Communication (CETIC), University of Yaounde I, P.O. Box 812 (Cameroon); Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812 (Cameroon); The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera, 11-I-34151 Trieste (Italy); Nguepjouo, Francis T., E-mail: nguepjouofrancis@yahoo.fr [National Advanced School of Engineering, University of Yaounde I, P.O. Box 8390 (Cameroon); Centre d' Excellence en Technologies de l' Information et de la Communication (CETIC), University of Yaounde I, P.O. Box 812 (Cameroon); Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812 (Cameroon); Kofane, Timoleon C., E-mail: tckofane@yahoo.com [Centre d' Excellence en Technologies de l' Information et de la Communication (CETIC), University of Yaounde I, P.O. Box 812 (Cameroon); Department of Physics, Faculty of Science, University of Yaounde I, P.O. Box 812 (Cameroon); The Abdus Salam International Centre for Theoretical Physics (ICTP), Strada Costiera, 11-I-34151 Trieste (Italy)

    2015-01-15

    In this paper, we investigate the effects of inhomogeneous exchange on the magnetization dynamics within a ferromagnetic slab of 0.5 mm thickness from the viewpoint of the Landau–Lifshitz–Gilbert phenomenological theory of damping in ferromagnets. As a result, we unearth a new coupled system of magnetization dynamics in which structural analysis reveals the existence of soliton propagation in the above ferrite.

  14. NQR Spin Diffusion in an Inhomogeneous Internal Field

    Energy Technology Data Exchange (ETDEWEB)

    Furman, Gregory B., E-mail: gregoryf@bgu.ac.il; Goren, Shaul D. [Ben Gurion University, Physics Department (Israel)

    2004-12-15

    The theory of NQR spin diffusion is extended to the case of spin lattice relaxation and spin diffusion in an inhomogeneous field. Two coupled equations describing the mutual relaxation and the spin diffusion of the nuclear magnetization and dipolar energy were obtained by using the method of nonequilibrium state operator. The equations were solved for short and long times approximation corresponding to the direct and diffusion relaxation regimes.

  15. 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.

  16. Inhomogeneous helicity effect in the solar angular-momentum transport

    Science.gov (United States)

    Yokoi, Nobumitsu

    2017-04-01

    Coupled with mean absolute vorticity Ω∗ (rotation and mean relative vorticity), inhomogeneous turbulent helicity is expected to contribute to the generation of global flow structure against the linear and angular momentum mixing due to turbulent or eddy viscosity. This inhomogeneous helicity effect was originally derived in Yokoi & Yoshizawa (1993) [1], and recently has been validated by direct numerical simulations (DNSs) of rotating helical turbulence [2]. Turbulence effect enters the mean-vorticity equation through the turbulent vortexmotive force ⟨u'×ω'⟩ [u': velocity fluctuation, ω'(= ∇× u'): vorticity fluctuation], which is the vorticity counterpart of the electromotive force ⟨u'× b'⟩ (b': magnetic fluctuation) in the mean magnetic-field induction. The mean velocity induction δU is proportional to the vortexmotive force. According to the theoretical result [1,2], it is expressed as δU = -νT∇×Ω∗-ηT(∇2H)Ω∗, where ηT is the transport coefficient, H = ⟨u'ṡω'⟩ the turbulent helicity, and Ω∗ the mean absolute vorticity. The first term corresponds to the enhanced diffusion due to turbulent viscosity νT. The second term expresses the large-scale flow generation due to inhomogeneous helicity. Since helicity is self-generated in rotating stratified turbulence [3], an inhomogeneous helicity distribution is expected to exist in the solar convection zone. A rising flow with expansion near the surface of the Sun generates a strongly negative helicity there [4]. This spatial distribution of helicity would lead to a positive Laplacian of turbulent helicity (∇2H > 0) in the subsurface layer of the Sun. In the combination with the large-scale vorticity associated with the meridional circulation, the inhomogeneous helicity effect works for accelerating the mean velocity in the azimuthal direction. The relevance of this inhomogeneous helicity effect in the solar convection zone is discussed further. References [1] Yokoi, N. and

  17. Large-scale dynamo growth rates from numerical simulations and implications for mean-field theories.

    Science.gov (United States)

    Park, Kiwan; Blackman, Eric G; Subramanian, Kandaswamy

    2013-05-01

    Understanding large-scale magnetic field growth in turbulent plasmas in the magnetohydrodynamic limit is a goal of magnetic dynamo theory. In particular, assessing how well large-scale helical field growth and saturation in simulations match those predicted by existing theories is important for progress. Using numerical simulations of isotropically forced turbulence without large-scale shear with its implications, we focus on several additional aspects of this comparison: (1) Leading mean-field dynamo theories which break the field into large and small scales predict that large-scale helical field growth rates are determined by the difference between kinetic helicity and current helicity with no dependence on the nonhelical energy in small-scale magnetic fields. Our simulations show that the growth rate of the large-scale field from fully helical forcing is indeed unaffected by the presence or absence of small-scale magnetic fields amplified in a precursor nonhelical dynamo. However, because the precursor nonhelical dynamo in our simulations produced fields that were strongly subequipartition with respect to the kinetic energy, we cannot yet rule out the potential influence of stronger nonhelical small-scale fields. (2) We have identified two features in our simulations which cannot be explained by the most minimalist versions of two-scale mean-field theory: (i) fully helical small-scale forcing produces significant nonhelical large-scale magnetic energy and (ii) the saturation of the large-scale field growth is time delayed with respect to what minimalist theory predicts. We comment on desirable generalizations to the theory in this context and future desired work.

  18. Effects of inhomogeneous broadening on the resonance Raman excitation profile of lycopene

    Science.gov (United States)

    Cotting, J. E.; Hoskins, L. C.; Levan, M. E.

    1982-08-01

    The resonance Raman excitation profiles for the ν1, ν2, and ν3 vibrations of lycopene in ethyl alcohol, toluene, and carbon disulfide solvents have been measured. The results are interpreted in terms of a three-mode vibrational theory which includes both homogeneous and inhomogeneous broadening effects. Excellent agreement between calculated and observed excitation profiles and visible spectra was found, thus emphasizing the need to interpret resonance Raman data using a multimode vibrational model. The results indicate that the major broadening mechanism is homogeneous broadening, with about a 25% contribution from inhomogeneous broadening. The excitation profiles in carbon disulfide gave the largest inhomogeneous broadening.

  19. Inhomogeneous interface laser mirror coatings.

    Science.gov (United States)

    Ledger, A M

    1979-09-01

    Methods of improving the durability of thin-film laser mirror coatings for 10.6 microm using thorium fluoride, zinc selenide, and zinc sulfide materials have been investigated. The largest improvement in film durability was obtained by using inhomogeneous interface fabrication for all the dielectric-dielectric interfaces and by incorporating cerium fluoride protective overcoating material into the film design. Experimental results are given for enhanced reflectors, polarization-selective coatings, and buried-grating aperture-sharing coatings designed for high-power laser applications.

  20. Particle conservation in dynamical density functional theory.

    Science.gov (United States)

    de Las Heras, Daniel; Brader, Joseph M; Fortini, Andrea; Schmidt, Matthias

    2016-06-22

    We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.

  1. Comparison between theory and simulations for the magnetization and the susceptibility of polydisperse ferrofluids.

    Science.gov (United States)

    Szalai, I; Nagy, S; Dietrich, S

    2013-11-20

    The influence of polydispersity on the magnetization of ferrofluids is studied based on a previously published magnetization equation of state (Szalai and Dietrich, 2011 J. Phys.: Condens. Matter 23 326004) and computer simulations. The polydispersity of the particle diameter is described by the gamma distribution function. Canonical ensemble Monte Carlo simulations have been performed in order to test these theoretical results for the initial susceptibility and the magnetization. The results for the magnetic properties of the polydisperse systems turn out to be in quantitative agreement with our present simulation data. In addition, we find good agreement between our theory and experimental data for magnetite-based ferrofluids.

  2. Lateral dynamic flight stability of hovering insects:theory vs.numerical simulation

    Institute of Scientific and Technical Information of China (English)

    Yan-Lai Zhang; Jiang-Hao Wu; Mao Sun

    2012-01-01

    In the present paper,the lateral dynamic flight stability properties of two hovering model insects are predicted by an approximate theory based on the averaged model,and computed by numerical simulation that solves the complete equations of motion coupled with the Navier-Stokes equations.Comparison between the theoretical and simulational results provides a test to the validity of the assumptions made in the theory.One of the insects is a model dronefly which has relatively high wingbeat frequency (164Hz)and the other is a model hawkmoth which has relatively low wingbeat frequency (26 Hz).The following conclusion has been drawn.The theory based on the averaged model works well for the lateral motion of the dronefly.For the hawkmoth,relatively large quantitative differences exist between theory and simulation.This is because the lateral non-dimensional eigenvalues of the hawkmoth are not very small compared with the non-dimensional flapping frequency (the largest lateral non-dimensional eigenvalue is only about 10% smaller than the non-dimensional flapping frequency).Nevertheless,the theory can still correctly predict variational trends of the dynamic properties of the hawkmoth's lateral motion.

  3. Simulation of Climate Negotiation Strategies between China and the U.S. Based on Game Theory

    Directory of Open Access Journals (Sweden)

    Zhu-Gang Jin

    2014-01-01

    Citation: Jin, Z.-G., W.-J. Cai, and C. Wang, 2014: Simulation of climate negotiation strategies between China and the U.S. based on game theory.Adv. Clim. Change Res.,5(1, doi: 10.3724/SP.J.1248.2014.034.

  4. The Effect of a Computerized Simulation on Middle School Students' Understanding of the Kinetic Molecular Theory

    Science.gov (United States)

    Stern, Luli; Barnea, Nitza; Shauli, Sofia

    2008-01-01

    The objective of this study was to evaluate the effect of a dynamic software simulation on the understanding of the kinetic molecular theory by 7th graders. Students in the control group (n = 62) studied a curricular unit that addressed the differences in arrangement and motion of molecules in the three phases of matter. The experimental group (n…

  5. Monte Carlo simulation of SU(2) Yang-Mills theory with light gluinos

    CERN Document Server

    Campos, I; Kirchner, R; Luckmann, S; Montvay, István; Münster, G; Spanderen, K; Westphalen, J

    1999-01-01

    In a numerical Monte Carlo simulation of SU(2) Yang-Mills theory with light dynamical gluinos the low energy features of the dynamics as confinement and bound state mass spectrum are investigated. The motivation is supersymmetry at vanishing gluino mass. The performance of the applied two-step multi-bosonic dynamical fermion algorithm is discussed.

  6. Numerical simulations of dynamical gluinos in SU(3) Yang-Mills theory: first results

    Energy Technology Data Exchange (ETDEWEB)

    Feo, Alessandra; Kirchner, Robert; Luckmann, Silke; Montvay, Istvan; Muenster, Gernot

    2000-03-01

    In a numerical Monte Carlo simulation of SU(3) Yang-Mills theory with dynamical gluinos we have investigated the behaviour of the expectation value of the scalar and pseudoscalar gluino condensates in order to determine the phase structure. Preliminary results are presented as a function of the hopping parameter.

  7. Monte Carlo simulation of SU(2) Yang-Mills theory with light gluinos

    Energy Technology Data Exchange (ETDEWEB)

    Campos, I.; Kirchner, R.; Montvay, I. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Feo, A.; Luckmann, S.; Muenster, G.; Spanderen, K. [Muenster Univ. (Germany). Inst. fuer Theoretische Physik 1

    1999-12-01

    In a numerical Monte Carlo simulation of SU(2) Yang-Mills theory with light dynamical gluinos the low energy features of the dynamics as confinement and bound state mass spectrum are investigated. The motivation is supersymmetry at vanishing gluino mass. The performance of the applied two-step multi-bosonic dynamical fermion algorithm is discussed. (orig.)

  8. Numerical simulations of dynamical gluinos in SU(3) Yang-Mills theory first results

    CERN Document Server

    Feo, A; Luckmann, S; Montvay, István; Münster, G; Feo, Alessandra; Kirchner, Robert; Luckmann, Silke; Montvay, Istvan; Münster, Gernot

    2000-01-01

    In a numerical Monte Carlo simulation of SU(3) Yang-Mills theory with dynamical gluinos we have investigated the behaviour of the expectation value of the scalar and pseudoscalar gluino condensates in order to determine the phase structure. Preliminary results are presented as a function of the hopping parameter.

  9. Numerical simulations of dynamical gluinos in SU (3) Yang-Mills theory: first results

    Science.gov (United States)

    Feo, Alessandra; Kirchner, Robert; Luckmann, Silke; Montvay, István; Münster, Gernot; DESY-Münster Collaboration

    In a numerical Monte Carlo simulation of SU(3) Yang-Mills theory with dynamical gluinos we have investigated the behaviour of the expectation value of the scalar and pseudoscalar gluino condensates in order to determine the phase structure. Preliminary results are presented as a function of the hopping parameter.

  10. Libraries and Development Environments for Monte Carlo Simulations of Lattice Gauge Theories on Parallel Computers

    Science.gov (United States)

    Decker, K. M.; Jayewardena, C.; Rehmann, R.

    We describe the library lgtlib, and lgttool, the corresponding development environment for Monte Carlo simulations of lattice gauge theory on multiprocessor vector computers with shared memory. We explain why distributed memory parallel processor (DMPP) architectures are particularly appealing for compute-intensive scientific applications, and introduce the design of a general application and program development environment system for scientific applications on DMPP architectures.

  11. Gaussian beam propagation in anisotropic turbulence along horizontal links: theory, simulation, and laboratory implementation.

    Science.gov (United States)

    Xiao, Xifeng; Voelz, David G; Toselli, Italo; Korotkova, Olga

    2016-05-20

    Experimental and theoretical work has shown that atmospheric turbulence can exhibit "non-Kolmogorov" behavior including anisotropy and modifications of the classically accepted spatial power spectral slope, -11/3. In typical horizontal scenarios, atmospheric anisotropy implies that the variations in the refractive index are more spatially correlated in both horizontal directions than in the vertical. In this work, we extend Gaussian beam theory for propagation through Kolmogorov turbulence to the case of anisotropic turbulence along the horizontal direction. We also study the effects of different spatial power spectral slopes on the beam propagation. A description is developed for the average beam intensity profile, and the results for a range of scenarios are demonstrated for the first time with a wave optics simulation and a spatial light modulator-based laboratory benchtop counterpart. The theoretical, simulation, and benchtop intensity profiles show good agreement and illustrate that an elliptically shaped beam profile can develop upon propagation. For stronger turbulent fluctuation regimes and larger anisotropies, the theory predicts a slightly more elliptical form of the beam than is generated by the simulation or benchtop setup. The theory also predicts that without an outer scale limit, the beam width becomes unbounded as the power spectral slope index α approaches a maximum value of 4. This behavior is not seen in the simulation or benchtop results because the numerical phase screens used for these studies do not model the unbounded wavefront tilt component implied in the analytic theory.

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

    CERN Document Server

    Lüscher, Martin

    1994-01-01

    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.

  13. A Portable High-Quality Random Number Generator for Lattice Field Theory Simulations

    OpenAIRE

    Luescher, Martin

    1993-01-01

    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.

  14. 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...

  15. MASS2, Modular Aquatic Simulation System in Two Dimensions, Theory and Numerical Methods

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, William A.; Richmond, Marshall C.

    2007-07-01

    The Modular Aquatic Simulation System in Two Dimensions (MASS2) is a two-dimensional, depth-averaged hydrodynamics and transport model. The model simulates time varying distributions of depth-averaged velocities, water surface elevations, and water quality constituents. MASS2 uses a structured, multi-block, boundary-fitted, curvilinear computational mesh, which allows the simulation of very complex riverine or estuarine networks. The blocks may be of varying resolution, which allows high resolution to be used only where needed. MASS2 can simulate a wide variety of hydrodynamic conditions, including supercritical flow and hydraulic jumps. It can also simulate a wide variety of water quality conditions, including sediment, conservative or decaying contaminants, sediment-sorbed contaminants, water temperature, and total dissolved gas. Any number of these constituents may be simulated simultaneously. In addition, transport simulations may be performed using pre-calculated hydrodynamic conditions, allowing long-term transport simulations unencumbered by the more intensive hydrodynamic calculations, or repeated transport simulations without re-simulating hydrodynamics. This report documents the theory and numerical methods used in MASS2. In addition, the results are presented from several of hydrodynamic and transport validation tests to which MASS2 was subjected. The companion user manual documents the application of MASS2.

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

    Science.gov (United States)

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

    2013-08-01

    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 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’.

  17. Phase Diagram of Inhomogeneous Percolation with a Defect Plane

    Science.gov (United States)

    Iliev, G. K.; Janse van Rensburg, E. J.; Madras, N.

    2015-01-01

    Let be the -dimensional hypercubic lattice and let be an -dimensional sublattice, with . We consider a model of inhomogeneous bond percolation on at densities and , in which edges in are open with probability , and edges in open with probability . We generalize several classical results of (homogeneous) bond percolation to this inhomogeneous model. The phase diagram of the model is presented, and it is shown that there is a subcritical regime for and (where is the critical probability for homogeneous percolation in ), a bulk supercritical regime for , and a surface supercritical regime for and . We show that is a strictly decreasing function for , with a jump discontinuity at . We extend the Aizenman-Barsky differential inequalities for homogeneous percolation to the inhomogeneous model and use them to prove that the susceptibility is finite inside the subcritical phase. We prove that the cluster size distribution decays exponentially in the subcritical phase, and sub-exponentially in the supercritical phases. For a model of lattice animals with a defect plane, the free energy is related to functions of the inhomogeneous percolation model, and we show how the percolation transition implies a non-analyticity in the free energy of the animal model. Finally, we present simulation estimates of the critical curve.

  18. Studies on Santilli's Locally Anisotropic and Inhomogeneous Isogeometries; 1, Isobundles and Generalized Isofinsler Geometry

    CERN Document Server

    Vacaru, S I

    1997-01-01

    We generalize the geometry of Santilli's locally anisotropic and inhomogeneous isospaces to the geometry of vector isobundles provided with nonlinear and distinguished isoconnections and isometric structures. We present, apparently for the first time, the isotopies of Lagrange, Finsler and Kaluza-Klein spaces. We also continue the study of the interior, locally anisotropic and inhomogeneous gravitation by extending the isoriemannian space's constructions and presenting a geometric background for the theory of isofield interactions in generalized isolagrange and isofinsler spaces.

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

    Science.gov (United States)

    Ohkubo, Jun

    2014-10-01

    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.

  20. Modeling and simulation of boron-doped nanocrystalline silicon carbide thin film by a field theory.

    Science.gov (United States)

    Xiong, Liming; Chen, Youping; Lee, James D

    2009-02-01

    This paper presents the application of a multiscale field theory in modeling and simulation of boron-doped nanocrystalline silicon carbide (B-SiC). The multiscale field theory was briefly introduced. Based on the field theory, numerical simulations show that intergranular glassy amorphous films (IGFs) and nano-sized pores exist in triple junctions of the grains for nanocrystalline B-SiC. Residual tensile stress in the SiC grains and compressive stress on the grain boundaries (GBs) were observed. Under tensile loading, it has been found that mechanical response of 5 wt% boron-SiC exhibits five characteristic regimes. Deformation mechanism at atomic scale has been revealed. Tensile strength and Young's modulus of nanocrystalline SiC were accurately reproduced.

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

    CERN Document Server

    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 ...

  2. Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces.

    Science.gov (United States)

    Tobias, Douglas J; Stern, Abraham C; Baer, Marcel D; Levin, Yan; Mundy, Christopher J

    2013-01-01

    Chemistry occurring at or near the surface of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming increasingly useful for gaining atomic-scale insight into the structure and reactivity of aqueous interfaces in the atmosphere. Here we review simulation studies of atmospherically relevant aqueous liquid-air interfaces, with an emphasis on ions that play important roles in the chemistry of atmospheric aerosols. In addition to surveying results from simulation studies, we discuss challenges to the refinement and experimental validation of the methodology for simulating ion adsorption to the air-water interface and recent advances in elucidating the driving forces for adsorption. We also review the recent development of a dielectric continuum theory capable of reproducing simulation and experimental data on ion behavior at aqueous interfaces.

  3. Quasiadiabatic modes from viscous inhomogeneities

    Science.gov (United States)

    Giovannini, Massimo

    2016-04-01

    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 nonperturbative 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 based on relativistic viscous fluids. If the dominant adiabatic mode is not affected by the viscosity of the background a sufficiently small fraction of entropic fluctuations of viscous origin cannot be a priori ruled out.

  4. 3DHZETRN: Inhomogeneous Geometry Issues

    Science.gov (United States)

    Wilson, John W.; Slaba, Tony C.; Badavi, Francis F.

    2017-01-01

    Historical methods for assessing radiation exposure inside complicated geometries for space applications were limited by computational constraints and lack of knowledge associated with nuclear processes occurring over a broad range of particles and energies. Various methods were developed and utilized to simplify geometric representations and enable coupling with simplified but efficient particle transport codes. Recent transport code development efforts, leading to 3DHZETRN, now enable such approximate methods to be carefully assessed to determine if past exposure analyses and validation efforts based on those approximate methods need to be revisited. In this work, historical methods of representing inhomogeneous spacecraft geometry for radiation protection analysis are first reviewed. Two inhomogeneous geometry cases, previously studied with 3DHZETRN and Monte Carlo codes, are considered with various levels of geometric approximation. Fluence, dose, and dose equivalent values are computed in all cases and compared. It is found that although these historical geometry approximations can induce large errors in neutron fluences up to 100 MeV, errors on dose and dose equivalent are modest (<10%) for the cases studied here.

  5. Does Motor Simulation Theory Explain the Cognitive Mechanisms Underlying Motor Imagery? A Critical Review.

    Science.gov (United States)

    O'Shea, Helen; Moran, Aidan

    2017-01-01

    Motor simulation theory (MST; Jeannerod, 2001) purports to explain how various action-related cognitive states relate to actual motor execution. Specifically, it proposes that motor imagery (MI; imagining an action without executing the movements involved) shares certain mental representations and mechanisms with action execution, and hence, activates similar neural pathways to those elicited during the latter process. Furthermore, MST postulates that MI works by rehearsing neural motor systems off-line via a hypothetical simulation process. In this paper, we review evidence cited in support of MST and evaluate its efficacy in understanding the cognitive mechanisms underlying MI. In doing so, we delineate the precise postulates of simulation theory and clarify relevant terminology. Based on our cognitive-level analysis, we argue firstly that the psychological mechanisms underlying MI are poorly understood and require additional conceptual and empirical analysis. In addition, we identify a number of potentially fruitful lines of inquiry for future investigators of MST and MI.

  6. Temporal Mueller matrix solution for polarimetric scattering from inhomogeneous random media of non-spherical scatterers

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Polarimetric scattering from inhomogeneous random media of non-spherical scatterers under a pulse incidence is studied. The time-dependent Mueller matrix solution of vector radiative transfer for layering random media is derived. Co-polarized and cross-polarized bistatic and back-scattering are numerically simulated. The shape and intensity of polarized echoes well depict the inhomogeneous fraction profile of random scatterers. Its functional dependence upon the fraction profile, layering thickness, and other parameters are discussed. This technique is applicable to reconstruction of inhomogeneous fraction profile and inversion of the media thickness.

  7. Application of Stochastic Unsaturated Flow Theory, Numerical Simulations, and Comparisons to Field Observations

    DEFF Research Database (Denmark)

    Jensen, Karsten Høgh; Mantoglou, Aristotelis

    1992-01-01

    unsaturated flow equation representing the mean system behavior is solved using a finite difference numerical solution technique. The effective parameters are evaluated from the stochastic theory formulas before entering them into the numerical solution for each iteration. The stochastic model is applied......A stochastic unsaturated flow theory and a numerical simulation model have been coupled in order to estimate the large-scale mean behavior of an unsaturated flow system in a spatially variable soil. On the basis of the theoretical developments of Mantoglou and Gelhar (1987a, b, c), the theory......, similar to the local flow equation. in which effective model parameters occur (e.g., effective hydraulic conductivity). Further, the theory predicts the variance (prediction error) of the capillary tension head due to the spatial variability of the local hydraulic soil properties. The governing...

  8. The Grounded Theory Method: Deconstruction and Reconstruction in a Human Patient Simulation Context

    Directory of Open Access Journals (Sweden)

    Brian Parker PhD

    2011-03-01

    Full Text Available Certain modes of qualitative inquiry, such as grounded theory, can serve to uncover the abstract processes and broad conceptual themes influencing the personal experiences of undergraduate nursing students encountering clinical scenarios utilizing human patient simulators (HPS. To date insufficient research has been conducted to uncover the basic social-psychological processes encountered by students as they engage in a HPS-based clinical scenario. The authors assert that HPS-based learning experiences are in reality social endeavors that lead to the creation of socially negotiated knowledge and meanings relevant to the adult learner. To understand how grounded theory is suited to deriving answers to these questions, an analysis of the theoretical and philosophical foundations of grounded theory is undertaken. This critical analysis concludes with a discussion of specific considerations to be reflected upon by researchers when applying the inductively derived method of grounded theory in uncovering the social processes that occur within HPS-based clinical scenarios.

  9. Multi-scale theory in the molecular simulation of electrolyte solutions

    CERN Document Server

    Zhang, W; Pratt, L R

    2013-01-01

    This paper organizes McMillan-Mayer theory, the potential distribution approach, and quasi-chemical theory to provide theory for the thermodynamic effects associated with longer spatial scales involving longer time scales, thus helping to define a role for AIMD simulation directly on the time and space scales typical of those demanding methods. The theory treats composition fluctuations which would be accessed by larger-scale calculations, and also longer-ranged interactions that are of special interest for electrolyte solutions. The quasi-chemical organization breaks-up governing free energies into physically distinct contributions: packing, outer-shell, and chemical contributions. Here we study specifically the outer-shell contributions that express electrolyte screening. For that purpose we adopt a primitive model suggested by observation of ion-pairing in tetra-ethylammonium tetra-fluoroborate dissolved in propylene carbonate. Gaussian statistical models are shown to be effective physical models for outer...

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Birdsall, C.K.

    1989-12-31

    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.

  12. Astrocyte signaling in the presence of spatial inhomogeneities

    Science.gov (United States)

    Stamatakis, Michail; Mantzaris, Nikos V.

    2007-09-01

    Astrocytes, a special type of glial cells, were considered to have just a supporting role in information processing in the brain. However, several recent studies have shown that they can be chemically stimulated by various neurotransmitters, such as ATP, and can generate Ca2+ and ATP waves, which can propagate over many cell lengths before being blocked. Although pathological conditions, such as spreading depression and epilepsy, have been linked to abnormal wave propagation in astrocytic cellular networks, a quantitative understanding of the underlying characteristics is still lacking. Astrocytic cellular networks are inhomogeneous, in the sense that the domain they occupy contains passive regions or gaps, which are unable to support wave propagation. Thus, this work focuses on understanding the complex interplay between single-cell signal transduction, domain inhomogeneity, and the characteristics of wave propagation and blocking in astrocytic cellular networks. The single-cell signal transduction model that was employed accounts for ATP-mediated IP3 production, the subsequent Ca2+ release from the ER, and ATP release into the extracellular space. The model is excitable and thus an infinite range of wave propagation is observed if the domain of propagation is homogeneous. This is not always the case for inhomogeneous domains. To model wave propagation in inhomogeneous astrocytic networks, a reaction-diffusion framework was developed and one-gap as well as multiple-gap cases were simulated using an efficient finite-element algorithm. The minimum gap length that blocks the wave was computed as a function of excitability levels and geometric characteristics of the inhomogeneous network, such as the length of the active regions (cells). Complex transient patterns, such as wave reflection, wave trapping, and generation of echo waves, were also predicted by the model, and their relationship to the geometric characteristics of the network was evaluated. Therefore, the

  13. MR image intensity inhomogeneity correction

    Science.gov (United States)

    (Vişan Pungǎ, Mirela; Moldovanu, Simona; Moraru, Luminita

    2015-01-01

    MR technology is one of the best and most reliable ways of studying the brain. Its main drawback is the so-called intensity inhomogeneity or bias field which impairs the visual inspection and the medical proceedings for diagnosis and strongly affects the quantitative image analysis. Noise is yet another artifact in medical images. In order to accurately and effectively restore the original signal, reference is hereof made to filtering, bias correction and quantitative analysis of correction. In this report, two denoising algorithms are used; (i) Basis rotation fields of experts (BRFoE) and (ii) Anisotropic Diffusion (when Gaussian noise, the Perona-Malik and Tukey's biweight functions and the standard deviation of the noise of the input image are considered).

  14. Information theory and the finite-time behavior of the simulated annealing algorithm: Experimental results

    Energy Technology Data Exchange (ETDEWEB)

    Fleischer, M.; Jacobson, S.

    1994-12-31

    This paper presents a new empirical approach designed to illustrate the theory developed in Fleischer and Jacobson regarding entropy measures and the finite-time performance of the simulated annealing (SA) algorithm. The theory is tested using several experimental methodologies based on a new structure, generic configuration spaces, and polynomial transformations between NP-hard problems. Both approaches provide several ways to alter the configuration space and its associated entropy measure while preserving the value of the globally optimal solution. This makes it possible to illuminate the extent to which entropy measures impact the finite-time performance of the SA algorithm.

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

    DEFF Research Database (Denmark)

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

    2006-01-01

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

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

    DEFF Research Database (Denmark)

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

    2006-01-01

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

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

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    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......-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...

  18. Energy of one-dimensional diatomic elastic granular gas: Theory and molecular dynamics Simulation

    CERN Document Server

    Khotimah, Siti Nurul; Widayani,; Waris, Abdul

    2011-01-01

    One-dimensional ideal diatomic gas is simulated through possible types of motion of a molecule. Energy of each type of its motion is calculated from theory and numerical method. Calculation of kinetic energy of an atom in translational-vibrational motion is not analytically simple, but it can be solved by numerical method of molecular dynamic simulation. This paper justifies that kinetic energy of a diatomic molecule can be determined by two different approaches. The first is the sum of kinetic energy of each atom and second is the sum of kinetic energy of translational motion and vibrational motion.

  19. 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.

  20. Numerical simulations of necklaces in SU(2) gauge-Higgs field theory

    CERN Document Server

    Hindmarsh, Mark; Weir, David J

    2016-01-01

    We perform the first numerical simulations of necklaces in a non-Abelian gauge theory. Necklaces are composite classical solutions which can be interpreted as monopoles trapped on strings, rather generic structures in a Grand Unified Theory. We generate necklaces from random initial conditions, modelling a phase transition in the early Universe, and study the evolution. For all cases, we find that the necklace system shows scaling behaviour similar to that of a network of ordinary cosmic strings. Furthermore, our simulations indicate that comoving distance between the monopoles or semipoles along the string asymptotes to a constant value at late times. This means that while the monopole-to-string energy density ratio decreases as the inverse of the scale factor, a horizon-size length of string has a large number of monopoles, significantly affecting the dynamics of string loops. We argue that gravitational wave bounds from millisecond pulsar timing on the string tension in the Nambu-Goto scenario are greatly ...

  1. ID201202961, DOE S-124,539, Information Security Analysis Using Game Theory and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Abercrombie, Robert K [ORNL; Schlicher, Bob G [ORNL

    2012-01-01

    Information security analysis can be performed using game theory implemented in dynamic simulations of Agent Based Models (ABMs). Such simulations can be verified with the results from game theory analysis and further used to explore larger scale, real world scenarios involving multiple attackers, defenders, and information assets. Our approach addresses imperfect information and scalability that allows us to also address previous limitations of current stochastic game models. Such models only consider perfect information assuming that the defender is always able to detect attacks; assuming that the state transition probabilities are fixed before the game assuming that the players actions are always synchronous; and that most models are not scalable with the size and complexity of systems under consideration. Our use of ABMs yields results of selected experiments that demonstrate our proposed approach and provides a quantitative measure for realistic information systems and their related security scenarios.

  2. Fourier transform ion cyclotron resonance (FT ICR) mass spectrometry: Theory and simulations.

    Science.gov (United States)

    Nikolaev, Eugene N; Kostyukevich, Yury I; Vladimirov, Gleb N

    2016-01-01

    Fourier transform ion cyclotron resonance (FT ICR) mass spectrometer offers highest resolving power and mass accuracy among all types of mass spectrometers. Its unique analytical characteristics made FT ICR important tool for proteomics, metabolomics, petroleomics, and investigation of complex mixtures. Signal acquisition in FT ICR MS takes long time (up to minutes). During this time ion-ion interaction considerably affects ion motion and result in decreasing of the resolving power. Understanding of those effects required complicated theory and supercomputer simulations but culminated in the invention of the ion trap with dynamic harmonization which demonstrated the highest resolving power ever achieved. In this review we summarize latest achievements in theory and simulation of FT ICR mass spectrometers.

  3. First-order correction to the Casimir force within an inhomogeneous medium

    CERN Document Server

    Bao, Fanglin; He, Sailing

    2015-01-01

    For the Casimir piston filled with an inhomogeneous medium, the Casimir energy is regularized and expressed with cylinder kernel coefficients by using the first-order perturbation theory. When the refraction index of the medium is smoothly inhomogeneous (i.e., derivatives of all orders exist), logarithmically cutoff-dependent term in Casimir energy is found. We show that in the piston model this term vanishes in the force and thus the Casimir force is always cutoff-independent, but this term will remain in the force in the half-space model and must be removed by additional regularization. We investigate the inhomogeneity of an exponentially decaying profile, and give the first-order corrections to both free Casimir energy and Casimir force. The present method can be extended to other inhomogeneous profiles. Our results should be useful for future relevant calculations and experimental studies.

  4. Applications of traditional pump design theory to artificial heart and CFD simulation

    Institute of Scientific and Technical Information of China (English)

    Yingpeng WANG; Xinwei SONG; Chuntong YING

    2008-01-01

    A novel heart pump model was obtained by improving the traditional axial pump design theory with the consideration of working and hydraulic situations for artificial hearts. The pump head range and the velocity triangle were introduced and an iterative approach was utilized for the initial model. Moreover, computational fluid dynamics (CFD) simulations were performed to determine relevant model parameters. The results show that this procedure can be used for designing a series of high-efficiency artificial heart pumps.

  5. Testbed for Wireless Vehicle Communication: a Simulation Approach based on Three-Phase Traffic Theory

    OpenAIRE

    Kerner, B. S.; Klenov, S. L.; Brakemeier, A.

    2007-01-01

    A testbed for wireless vehicle communication based on a microscopic model in the framework of three-phase traffic theory is presented. In this testbed, vehicle motion in traffic flow and analyses of a vehicle communication channel access based on IEEE 802.11e mechanisms, radio propagation modeling, message reception characteristics as well as all other effects associated with ad-hoc networks are integrated into a three-phase traffic flow model. Based on simulations of this testbed, some stati...

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

    Science.gov (United States)

    Lüscher, Martin

    1994-02-01

    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.

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

    Science.gov (United States)

    Ljubotina, Marko; Žnidarič, Marko; Prosen, Tomaž

    2017-07-01

    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.

  8. Gas velocity patterns in simulated galaxies: Observational diagnostics of spiral structure theories

    CERN Document Server

    Baba, Junichi; Miyamoto, Yusuke; Egusa, Fumi; Kuno, Nario

    2016-01-01

    There are two theories of stellar spiral arms in isolated disc galaxies that model stellar spiral arms with different longevities: quasi-stationary density wave theory, which characterises spirals as rigidly rotating, long-lived patterns (i.e. steady spirals), and dynamic spiral theory, which characterises spirals as differentially rotating, transient, recurrent patterns (i.e. dynamic spirals). In order to discriminate between these two spiral models observationally, we investigated the differences between the gas velocity patterns predicted by these two spiral models in hydrodynamic simulations. We found that the azimuthal phases of the velocity patterns relative to the gas density peaks (i.e. gaseous arms) differ between the two models, as do the gas flows; nevertheless, the velocity patterns themselves are similar for both models. Such similarity suggests that the mere existence of streaming motions does not conclusively confirm the steady spiral model. However, we found that the steady spiral model shows ...

  9. Thermal imaginary part of a real-time static potential from classical lattice gauge theory simulations

    CERN Document Server

    Laine, M; Tassler, M

    2007-01-01

    Recently, a finite-temperature real-time static potential has been introduced via a Schr\\"odinger-type equation satisfied by a certain heavy quarkonium Green's function. Furthermore, it has been pointed out that it possesses an imaginary part, which induces a finite width for the tip of the quarkonium peak in the thermal dilepton production rate. The imaginary part originates from Landau-damping of low-frequency gauge fields, which are essentially classical due to their high occupation number. Here we show how the imaginary part can be measured with classical lattice gauge theory simulations, accounting non-perturbatively for the infrared sector of finite-temperature field theory. We demonstrate that a non-vanishing imaginary part indeed exists non-perturbatively; and that its value agrees semi-quantitatively with that predicted by Hard Loop resummed perturbation theory.

  10. Is social projection based on simulation or theory? Why new methods are needed for differentiating.

    Science.gov (United States)

    Bazinger, Claudia; Kühberger, Anton

    2012-12-01

    The literature on social cognition reports many instances of a phenomenon titled 'social projection' or 'egocentric bias'. These terms indicate egocentric predictions, i.e., an over-reliance on the self when predicting the cognition, emotion, or behavior of other people. The classic method to diagnose egocentric prediction is to establish high correlations between our own and other people's cognition, emotion, or behavior. We argue that this method is incorrect because there is a different way to come to a correlation between own and predicted states, namely, through the use of theoretical knowledge. Thus, the use of correlational measures is not sufficient to identify the source of social predictions. Based on the distinction between simulation theory and theory theory, we propose the following alternative methods for inferring prediction strategies: independent vs. juxtaposed predictions, the use of 'hot' mental processes, and the use of participants' self-reports.

  11. 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 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......Occupancy modeling is a necessary step towards reliable simulation of energy consumption in buildings. This paper outlines a method for fitting recordings of presence of occupants and simulation of single-person to multiple-persons office environments. The method includes modeling of dependence...

  12. Impedance spectroscopy of brushite composites and a scaling approach to the dispersion behavior of inhomogeneous ionic conductors

    Science.gov (United States)

    Tortet, L.; Gavarri, J. R.; Musso, J.; Nihoul, G.; Clerc, J. P.; Lagarkov, A. N.; Sarychev, A. K.

    1998-09-01

    The conductivity of composites prepared from ceramics is studied. The conductivity has an ionic character and the complex impedance behaves similar to many other inhomogeneous ionic systems. The dependence on the frequency is nonanalytical in form and can be described with some exponents that appear to depend on the concentration. We develop a Monte Carlo algorithm and perform a comprehensive computer simulation of the system. A network analysis reproduces the behavior of the complex impedance so that we can connect experimentally measured quantities to the internal structure of the system. Our theory predicts the values of the exponents and gives their dependence on the structure of a particular system. The most important parameter is the width of the distribution of the local conductivities. When the width increases, the exponents describing the frequency behavior reach universal values that are independent of the particular features of the system. The developed theory can be applied to understand impedance spectroscopy data for various inhomogeneous ionic conductors and some electronic conductors as well.

  13. Theory and computer simulation of hard-core Yukawa mixtures: thermodynamical, structural and phase coexistence properties

    Science.gov (United States)

    Mkanya, Anele; Pellicane, Giuseppe; Pini, Davide; Caccamo, Carlo

    2017-09-01

    We report extensive calculations, based on the modified hypernetted chain (MHNC) theory, on the hierarchical reference theory (HRT), and on Monte Carlo simulations, of thermodynamical, structural and phase coexistence properties of symmetric binary hard-core Yukawa mixtures (HCYM) with attractive interactions at equal species concentration. The obtained results are throughout compared with those available in the literature for the same systems. It turns out that the MHNC predictions for thermodynamic and structural quantities are quite accurate in comparison with the MC data. The HRT is equally accurate for thermodynamics, and slightly less accurate for structure. Liquid-vapor (LV) and liquid-liquid (LL) consolute coexistence conditions as emerging from simulations, are also highly satisfactorily reproduced by both the MHNC and HRT for relatively long ranged potentials. When the potential range reduces, the MHNC faces problems in determining the LV binodal line; however, the LL consolute line and the critical end point (CEP) temperature and density turn out to be still satisfactorily predicted within this theory. The HRT also predicts with good accuracy the CEP position. The possibility of employing liquid state theories HCYM for the purpose of reliably determining phase equilibria in multicomponent colloidal fluids of current technological interest, is discussed.

  14. Theory and Simulation of Self- and Mutual-Diffusion of Carrier Density and Temperature in Semiconductor Lasers

    Science.gov (United States)

    Li, Jian-Zhong; Cheung, Samson H.; Ning, C. Z.

    2001-01-01

    Carrier diffusion and thermal conduction play a fundamental role in the operation of high-power, broad-area semiconductor lasers. Restricted geometry, high pumping level and dynamic instability lead to inhomogeneous spatial distribution of plasma density, temperature, as well as light field, due to strong light-matter interaction. Thus, modeling and simulation of such optoelectronic devices rely on detailed descriptions of carrier dynamics and energy transport in the system. A self-consistent description of lasing and heating in large-aperture, inhomogeneous edge- or surface-emitting lasers (VCSELs) require coupled diffusion equations for carrier density and temperature. In this paper, we derive such equations from the Boltzmann transport equation for the carrier distributions. The derived self- and mutual-diffusion coefficients are in general nonlinear functions of carrier density and temperature including many-body interactions. We study the effects of many-body interactions on these coefficients, as well as the nonlinearity of these coefficients for large-area VCSELs. The effects of mutual diffusions on carrier and temperature distributions in gain-guided VCSELs will be also presented.

  15. Simulation and Experiment of Dynamic Properties of Joint Surfaces Based on Fractal Theory

    Directory of Open Access Journals (Sweden)

    Haitao Liu

    2015-01-01

    Full Text Available Dynamic properties of joint surfaces are researched, micro behavior is also analyzed and a mathematical model based on fractal theory is built, and the relationships between normal dynamic characteristics of joints and surface pressure, surface roughness, and real contact area were simulated. The contact pressure in joint, equivalent stiffness, and damping in joint were nonstrict proportional relationship, higher surface quality of the contact joint surface, can increase normal stiffness and reduce normal damping in joint. Experiments are arranged according to the theoretical model in order to analyze the share of every major factor that affects dynamic properties of joint surfaces. Two common materials HT200 and 2Cr13 under different processing methods, surface roughness, and surface areas are used, and law curves were built between the dynamic behavior of fixed joints and preload, processing method of contact surface, surface roughness; the correctness of the theory simulation results was confirmed. A spring-damping element joints finite model was built based on the pressure distribution contours. Based on the experimental data, we simulated the model of HT200 specimen by ANSYS, at the same time, compared our model, traditional model, and experimental result, and proved that the spring-damping distribution model based on pressure has a better simulative precision.

  16. Simulation and reference interaction site model theory of methanol and carbon tetrachloride mixtures.

    Science.gov (United States)

    Munaò, G; Costa, D; Saija, F; Caccamo, C

    2010-02-28

    We report molecular dynamics and reference interaction site model (RISM) theory of methanol and carbon tetrachloride mixtures. Our study encompasses the whole concentration range, by including the pure component limits. We majorly focus on an analysis of partial, total, and concentration-concentration structure factors, and examine in detail the k-->0 limits of these functions. Simulation results confirm the tendency of methanol to self-associate with the formation of ring structures in the high dilution regime of this species, in agreement with experimental studies and with previous simulations by other authors. This behavior emerges as strongly related to the high nonideality of the mixture, a quantitative estimate of which is provided in terms of concentration fluctuation correlations, through the structure factors examined. The interaggregate correlation distance is also thereby estimated. Finally, the compressibility of the mixture is found in good agreement with experimental data. The RISM predictions are throughout assessed against simulation; the theory describes better the apolar solvent than the alcohol properties. Self-association of methanol is qualitatively reproduced, though this trend is much less marked in comparison with simulation results.

  17. First-principles AFM image simulation with frozen density embedding theory

    Science.gov (United States)

    Sakai, Yuki; Lee, Alex J.; Chelikowsky, James R.

    We present efficient first-principles method of non-contact atomic force microscopy (nc-AFM). Ordinary nc-AFM simulations based on density functional theory (DFT) require exhaustive computational cost because it involves thousands of total energy calculations. Regarding the sample as a fixed external potential can reduce the computational cost, and we adopt frozen density embedding theory (FDET) for this purpose. Simulated nc-AFM images with FDET using a carbon monoxide tip well reproduces the full DFT images of benzene, pentacene, and graphene, although optimized tip-sample distances and interaction energies in FDET are underestimated and overestimated, respectively. The FDET-based simulation method is promising for AFM image simulation of surfaces and two-dimensional materials. This work was supported by U.S. DOE under Grant No. DE-FG02-06ER46286 and Award No. DE-SC0008877, and by Welch Foundation under Grant F-1837. Computational resources are provided by NERSC and TACC.

  18. Simulation of Rock Mass Horizontal Displacements with Usage of Cellular Automata Theory.

    Science.gov (United States)

    Sikora, Paweł

    2016-12-01

    In the article there was presented two dimensional rock mass model as a deterministic finite cellular automata. Used to describe the distribution of subsidence of rock mass inside and on its surface the theory of automata makes it relatively simple way to get a subsidence trough profile consistent with the profile observed by geodetic measurements on the land surface. As a development of an existing concept of the rock mass model, as a finite cellular automaton, there was described distribution function that allows, simultaneously with the simulation of subsidence, to simulate horizontal displacements inside the rock mass model and on its surface in accordance with real observations. On the basis of the results of numerous computer simulations there was presented fundamental mathematical relationship that determines the ratio of maximum horizontal displacement and maximum subsidence, in case of full subsidence trough, in relation to the basic parameters of the rock mass model. The possibilities of presented model were shown on the example of simulation results of deformation distribution caused by extraction of abstract coal panel. Obtained results were consistent with results obtained by geometric-integral theory.

  19. Optimizing the performance of Lattice Gauge Theory simulations with Streaming SIMD extensions

    CERN Document Server

    Srinivasan, Shyam

    2013-01-01

    Two factors, which affect simulation quality are the amount of computing power and implementation. The Streaming SIMD (single instruction multiple data) extensions (SSE) present a technique for influencing both by exploiting the processor's parallel functionalism. In this paper, we show how SSE improves performance of lattice gauge theory simulations. We identified two significant trends through an analysis of data from various runs. The speed-ups were higher for single precision than double precision floating point numbers. Notably, though the use of SSE significantly improved simulation time, it did not deliver the theoretical maximum. There are a number of reasons for this: architectural constraints imposed by the FSB speed, the spatial and temporal patterns of data retrieval, ratio of computational to non-computational instructions, and the need to interleave miscellaneous instructions with computational instructions. We present a model for analyzing the SSE performance, which could help factor in the bot...

  20. On the theory and simulation of multiple Coulomb scattering of heavy-charged particles.

    Science.gov (United States)

    Striganov, S I

    2005-01-01

    The Moliere theory of multiple Coulomb scattering is modified to take into account the difference between processes of scattering off atomic nuclei and electrons. A simple analytical expression for angular distribution of charged particles passing through a thick absorber is found. It does not assume any special form for a differential scattering cross section and has a wider range of applicability than a gaussian approximation. A well-known method to simulate multiple Coulomb scatterings is based on treating 'soft' and 'hard' collisions differently. An angular deflection in a large number of 'soft' collisions is sampled using the proposed distribution function, a small number of 'hard' collision are simulated directly. A boundary between 'hard' and 'soft' collisions is defined, providing a precise sampling of a scattering angle (1% level) and a small number of 'hard' collisions. A corresponding simulating module takes into account projectile and nucleus charged distributions and exact kinematics of a projectile-electron interaction.

  1. On the Theory and Simulation of Multiple Coulomb Scattering of Heavy Charged Particles

    CERN Document Server

    Striganov, S I

    2004-01-01

    The Moliere theory of multiple Coulomb scattering is modified to take into account difference between scattering off atomic nuclei and electron. A simple analytical expression for angular distribution of charged particles passing through a thick absorber is found. It does not assume any special form for a differential cross section and has wider range of applicability than a Gaussian approximation. A well-known method to simulate multiple Coulomb scattering is based on the different treatment of soft and hard collisions. An angular deflection in a large number of soft collisions is sampled using the proposed distribution function, a small number of hard collisions are simulated directly. A boundary between hard and soft collisions is defined providing a precise sampling of scattering angle (1% level) and small number of hard collisions. A corresponding simulation module takes into account projectile and nucleus charge distributions and exact kinematics of a projectile-electron interaction.

  2. 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.

  3. Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots.

    Science.gov (United States)

    Diemand, Jürg; Angélil, Raymond; Tanaka, Kyoko K; Tanaka, Hidekazu

    2014-11-01

    We present results from direct, large-scale molecular dynamics simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones atoms and cover up to 56 million time steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions; only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucleation simulations. The critical bubbles sizes derived with the nucleation theorem agree well with the CNT predictions at all temperatures. Local hot spots reported in the literature are not seen: Regions where a bubble nucleation event will occur are not above the average temperature, and no correlation of temperature fluctuations with subsequent bubble formation is seen.

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

    Directory of Open Access Journals (Sweden)

    Li Jin

    2014-04-01

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

  5. Theoretical investigations of compositional inhomogeneity around threading dislocations in III-nitride semiconductor alloys

    Science.gov (United States)

    Sakaguchi, Ryohei; Akiyama, Toru; Nakamura, Kohji; Ito, Tomonori

    2016-05-01

    The compositional inhomogeneity of group III elements around threading dislocations in III-nitride semiconductors are theoretically investigated using empirical interatomic potentials and Monte Carlo simulations. We find that the calculated atomic arrangements around threading dislocations in Al0.3Ga0.7N and In0.2Ga0.8N depend on the lattice strain around dislocation cores. Consequently, compositional inhomogeneity arises around edge dislocation cores to release the strain induced by dislocation cores. In contrast, the compositional inhomogeneity in screw dislocation is negligible owing to relatively small strain induced by dislocation cores compared with edge dislocation. These results indicate that the strain relief around dislocation cores is decisive in determining the atomic arrangements and resultant compositional inhomogeneity around threading dislocations in III-nitride semiconductor alloys.

  6. Inhomogeneous dynamic nuclear polarization and suppression of electron polarization decay in a quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Na [Department of Optical Science and Engineering, Fudan University, Shanghai 200433 (China); School of Physics and Technology, Wuhan University, Wuhan, Hubei 430072 (China); Ding, Wenkui; Shi, Anqi [School of Physics and Technology, Wuhan University, Wuhan, Hubei 430072 (China); Zhang, Wenxian, E-mail: wxzhang@whu.edu.cn [School of Physics and Technology, Wuhan University, Wuhan, Hubei 430072 (China)

    2016-08-12

    We investigate the dynamic nuclear polarization in a quantum dot. Due to the suppression of direct dipolar and indirect electron-mediated nuclear spin interactions by frequently injected electron spins, our analytical results under independent spin approximation agree well with quantum numerical simulations for a small number of nuclear spins. We find that the acquired nuclear polarization is highly inhomogeneous, proportional to the square of the local electron-nuclear hyperfine interaction constant. Starting from the inhomogeneously polarized nuclear spins, we further show that the electron polarization decay time can be extended 100 times even at a relatively low nuclear polarization. - Highlights: • Nuclear spin polarization is highly inhomogeneous after a dynamic nuclear polarization (DNP) process. • The DNP process is well described by an analytical model based on the independent spin approximation. • The highly inhomogeneous nuclear polarization significantly prolongs the electron spin coherence time.

  7. Inhomogenous loop quantum cosmology with matter

    CERN Document Server

    Blas, Daniel Martín-de; Marugán, Guillermo A Mena; 10.1088/1742-6596/360/1/012032

    2013-01-01

    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.

  8. Inflation in spherically symmetric inhomogeneous models

    Energy Technology Data Exchange (ETDEWEB)

    Stein-Schabes, J.A.

    1986-11-01

    Exact analytical solutions of Einstein's equations are found for a spherically symmetric inhomogeneous metric in the presence of a massless scalar field with a flat potential. The process of isotropization and homogenization is studied in detail. It is found that the time dependence of the metric becomes de Sitter for large times. Two cases are studied. The first deals with a homogeneous scalar field, while the second with a spherically symmetric inhomogeneous scalar field. In the former case the metric is of the Robertson-Walker form, while the latter is intrinsically inhomogeneous. 16 refs.

  9. Temporal evolution of linear kinetic Alfvén waves in inhomogeneous plasmas and turbulence generation

    Science.gov (United States)

    Goyal, Ravinder; Sharma, R. P.

    2016-07-01

    The coronal ion heating in the Sun is primarily considered due to Alfvén wave dissipation. The Hinode data which has provided strong evidence for the presence of Alfvén waves in the corona and in coronal loops, has lead laboratory investigations and numerical simulations of Alfvén wave propagation and damping. The inhomogeneous plasmas with steep density gradients can be employed to study such phenomenon in relatively shorter systems. This article presents a model for the propagation of Kinetic Alfvén waves (KAWs) in inhomogeneous plasma when the inhomogeneity is in transverse and parallel directions relative to the background magnetic field. The semi-analytical technique and numerical simulations have been performed to study the KAW dynamics when plasma inhomogeneity is incorporated in the dynamics. The model equations are solved in order to study the localization of KAW and their magnetic power spectrum which indicates the direct transfer of energy from lower to higher wave numbers as well as frequencies. The inhomogeneity scale lengths in both directions may control the nature of fluctuations and localization of the waves and play a very important role in the turbulence generation and its level. We present a theoretical study of the localization of KAWs, variations in magnetic field amplitude in time, and variation in the frequency spectra arising from inhomogeneities. The relevance of the model to space and laboratory observations is discussed.

  10. Theoretical study of time-resolved luminescence in semiconductors. IV. Lateral inhomogeneities

    Science.gov (United States)

    Maiberg, Matthias; Bertram, Frank; Müller, Mathias; Scheer, Roland

    2017-02-01

    In the fourth part of this series, we study the impact of lateral inhomogeneities on the time-resolved luminescence decay (TRL) after a pulsed excitation by means of simulation with Synopsys® TCAD and analytical approximation. This work consists of two parts: In the first part, the effect of excitations being inhomogeneous on a lateral scale is investigated. It turns out that for localized excitations there may be a strong lateral diffusion of charge carriers, thereby limiting the resolution of a micro-TRL experiment. In this case, a replacement of the inhomogeneous excitation in the simulation by a homogeneous excitation and an average photon density is not possible, especially due to defect saturation depending non-linearly on the excitation. In the second part, we consider a homogeneous excitation and study inhomogeneous material parameters, namely, inhomogeneous charge carrier lifetimes, band gaps, and doping densities. We find that their effects strongly depend on their characteristic lengths of variation. For length scales smaller than the diffusion length, inhomogeneous material parameters can lead to curved luminescence decays.

  11. The acoustic force density acting on inhomogeneous fluids in acoustic fields

    CERN Document Server

    Karlsen, Jonas T; Bruus, Henrik

    2016-01-01

    We present a theory for the acoustic force density acting on inhomogeneous fluids in acoustic fields on time scales that are slow compared to the acoustic oscillation period. The acoustic force density depends on gradients in the density and compressibility of the fluid. For microfluidic systems, 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.

  12. First-principles theory, coarse-grained models, and simulations of ferroelectrics.

    Science.gov (United States)

    Waghmare, Umesh V

    2014-11-18

    large-scale simulations while capturing the relevant microscopic interactions quantitatively. In this Account, we first summarize the insights obtained into chemical mechanisms of ferroelectricity using first-principles DFT calculations. We then discuss the principles of construction of first-principles model Hamiltonians for ferroelectric phase transitions in perovskite oxides, which involve coarse-graining in time domain by integrating out high frequency phonons. Molecular dynamics simulations of the resulting model are shown to give quantitative predictions of material-specific ferroelectric transition behavior in bulk as well as nanoscale ferroelectric structures. A free energy landscape obtained through coarse-graining in real-space provides deeper understanding of ferroelectric transitions, domains, and states with inhomogeneous order and points out the key role of microscopic coupling between phonons and strain. We conclude with a discussion of the multiscale modeling strategy elucidated here and its application to other materials such as shape memory alloys.

  13. 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.)

  14. 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.

  15. Cyclic density functional theory: A route to the first principles simulation of bending in nanostructures

    Science.gov (United States)

    Banerjee, Amartya S.; Suryanarayana, Phanish

    2016-11-01

    We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) - a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using arguments based on Group Representation Theory, we rigorously demonstrate that the Kohn-Sham eigenvalue problem for such systems can be reduced to a fundamental domain (or cyclic unit cell) augmented with cyclic-Bloch boundary conditions. Analogously, the equations of electrostatics appearing in Kohn-Sham theory can be reduced to the fundamental domain augmented with cyclic boundary conditions. By making use of this symmetry cell reduction, we show that the electronic ground-state energy and the Hellmann-Feynman forces on the atoms can be calculated using quantities defined over the fundamental domain. We develop a symmetry-adapted finite-difference discretization scheme to obtain a fully functional numerical realization of the proposed approach. We verify that our formulation and implementation of Cyclic DFT is both accurate and efficient through selected examples. The connection of cyclic symmetries with uniform bending deformations provides an elegant route to the ab-initio study of bending in nanostructures using Cyclic DFT. As a demonstration of this capability, we simulate the uniform bending of a silicene nanoribbon and obtain its energy-curvature relationship from first principles. A self-consistent ab-initio simulation of this nature is unprecedented and well outside the scope of any other systematic first principles method in existence. Our simulations reveal that the bending stiffness of the silicene nanoribbon is intermediate between that of graphene and molybdenum disulphide - a trend which can be ascribed to the variation in effective thickness of these materials. We describe several future avenues and applications of Cyclic DFT, including its extension to the study of non-uniform bending deformations and its possible use in the study of the nanoscale flexoelectric effect.

  16. 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.

  17. Inhomogeneous Universe Models with Varying Cosmological Term

    CERN Document Server

    Chimento, L P; Chimento, Luis P.; Pavon, Diego

    1998-01-01

    The evolution of a class of inhomogeneous spherically symmetric universe models possessing a varying cosmological term and a material fluid, with an adiabatic index either constant or not, is studied.

  18. Laser pulse propagation in inhomogeneous magnetoplasma channels and wakefield acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, B. S., E-mail: bs-phy@yahoo.com; Jain, Archana [Government College Kota, Kota 324001 (India); Jaiman, N. K. [Department of Pure and Applied Physics, University of Kota, Kota 324010 (India); Gupta, D. N. [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Jang, D. G.; Suk, H. [Department of Physics and Photon Science, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Kulagin, V. V. [Sternberg Astronomical Institute of Moscow State University, Moscow 119992 (Russian Federation)

    2014-02-15

    Wakefield excitation in a preformed inhomogeneous parabolic plasma channel by an intense relativistic (≃10{sup 19} W/cm{sup 2}) circularly polarized Gaussian laser pulse is investigated analytically and numerically in the presence of an external longitudinal magnetic field. A three dimensional envelope equation for the evolution of the laser pulse is derived, which includes the effect of the nonparaxial and applied external magnetic field. A relation for the channel radius with the laser spot size is derived and examines numerically to see the external magnetic field effect. It is observed that the channel radius depends on the applied external magnetic field. An analytical expression for the wakefield is derived and validated with the help of a two dimensional particle in cell (2D PIC) simulation code. It is shown that the electromagnetic nature of the wakes in an inhomogeneous plasma channel makes their excitation nonlocal, which results in change of fields with time and external magnetic field due to phase mixing of the plasma oscillations with spatially varying frequencies. The magnetic field effect on perturbation of the plasma density and decreasing length is also analyzed numerically. In addition, it has been shown that the electron energy gain in the inhomogeneous parabolic magnetoplasma channel can be increased significantly compared with the homogeneous plasma channel.

  19. 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)

  20. Exactly solvable one-dimensional inhomogeneous models

    Energy Technology Data Exchange (ETDEWEB)

    Derrida, B.; France, M.M.; Peyriere, J.

    1986-11-01

    The authors present a simple way of constructing one-dimensional inhomogeneous models (random or quasiperiodic) which can be solved exactly. They treat the example of an Ising chain in a varying magnetic field, but their procedure can easily be extended to other one-dimensional inhomogeneous models. For all the models they can construct, the free energy and its derivatives with respect to temperature can be computed exactly at one particular temperature.

  1. Inhomogeneous Einstein-Rosen string cosmology

    Science.gov (United States)

    Clancy, Dominic; Feinstein, Alexander; Lidsey, James E.; Tavakol, Reza

    1999-08-01

    Families of anisotropic and inhomogeneous string cosmologies containing non-trivial dilaton and axion fields are derived by applying the global symmetries of the string effective action to a generalized Einstein-Rosen metric. The models exhibit a two-dimensional group of Abelian isometries. In particular, two classes of exact solutions are found that represent inhomogeneous generalizations of the Bianchi type VIh cosmology. The asymptotic behavior of the solutions is investigated and further applications are briefly discussed.

  2. Dynamics of optical rogue waves in inhomogeneous nonlinear waveguides

    Institute of Scientific and Technical Information of China (English)

    Zhang Jie-Fang; Jin Mei-Zhen; He Ji-Da; Lou Ji-Hui; Dai Chao-Qing

    2013-01-01

    We propose a unified theory to construct exact rogue wave solutions of the (2+1)-dimensional nonlinear Schr(o)dinger equation with varying coefficients.And then the dynamics of the first-and the second-order optical rogues are investigated.Finally,the controllability of the optical rogue propagating in inhomogeneous nonlinear waveguides is discussed.By properly choosing the distributed coefficients,we demonstrate analytically that rogue waves can be restrained or even be annihilated,or emerge periodically and sustain forever.We also figure out the center-of-mass motion of the rogue waves.

  3. Ion-acoustic solitons in multispecies spatially inhomogeneous plasmas

    Indian Academy of Sciences (India)

    Tarsem Singh Gill; Harvinder Kaur; Nareshpal Singh Saini

    2006-06-01

    Ion-acoustic solitons are investigated in the spatially inhomogeneous plasma having electrons-positrons and ions. The soliton characteristics are described by Korteweg-de Vries equation which has an additional term. The density and temperature of different species play an important role for the amplitude and width of the solitons. Numerical calculations show only the possibility of compressive solitons. Further, analytical results predict that the peak amplitude of soliton decreases with the decrease of density gradient. Soliton characteristics like peak amplitude and width are substantially different from those based on KdV theory for homogeneous plasmas.

  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. The inhomogeneity expansion for planar QED in a magnetic background

    CERN Document Server

    Gat, G; Ray, R; Gat, Gil; Raval, Alpan; Ray, Rashmi

    1994-01-01

    The effective action for Q.E.D in external magnetic field is constructed using the method of inhomogeneity expansion. We first treat the non-relativistic case where a Chern-Simons like term is generated. We then consider the full relativistic theory and derive the effective action for the A_{\\mu} fields. In the non-relativistic case we also add a 4-fermi type interaction and show that under certain circumstances, it corresponds to a Zeeman type term in the effective action.

  6. Inhomogeneous broadening in non-interacting nonlocal plasmonic ensembles

    DEFF Research Database (Denmark)

    Tserkezis, Christos; Maack, Johan Rosenkrantz; Liu, Z.

    2016-01-01

    The importance of inhomogeneous broadening due to the size dependence of plasmon resonances in few-nm metallic particle ensembles is investigated through different models describing the nonlocal optical response of plasmonic nanospheres. Modal shifts and plasmon line broadening are shown to become...... important within the first-order correction to classical electrodynamics provided by the hydrodynamic Drude model, but turn out to be less prominent once additional single-particle size-dependent damping mechanisms are accounted for through the recently developed Generalized Nonlocal Optical Response theory...

  7. 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.

  8. 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.

  9. Social simulation theory: a framework to explain nurses' understanding of patients' experiences of ill-health.

    Science.gov (United States)

    Nordby, Halvor

    2016-09-01

    A fundamental aim in caring practice is to understand patients' experiences of ill-health. These experiences have a qualitative content and cannot, unlike thoughts and beliefs with conceptual content, directly be expressed in words. Nurses therefore face a variety of interpretive challenges when they aim to understand patients' subjective perspectives on disease and illness. The article argues that theories on social simulation can shed light on how nurses manage to meet these challenges. The core assumption of social simulationism is that we do not understand other people by forming mental representations of how they think, but by putting ourselves in their situation in a more imaginative way. According to simulationism, any attempt to understand a patient's behavior is made on the basis of simulating what it is like to be that patient in the given context. The article argues that this approach to social interpretation can clarify how nurses manage to achieve aims of patient understanding, even when they have limited time to communicate and incomplete knowledge of patients' perspectives. Furthermore, simulation theory provides a normative framework for interpretation, in the sense that its theoretical assumptions constitute ideals for how nurses should seek to understand patients' experiences of illness.

  10. 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.

  11. 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...

  12. 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.

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

    CERN Document Server

    Gerosa, Davide; 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, tr...

  14. Simulating the All-Order Strong Coupling Expansion V: Ising Gauge Theory

    CERN Document Server

    Korzec, Tomasz

    2012-01-01

    We exactly rewrite the Z(2) lattice gauge theory with standard plaquette action as a random surface model equivalent to the untruncated set of its strong coupling graphs. By extending the worm approach applied to spin models we simulate such surfaces including Polyakov line defects that randomly walk over the lattice. Our Monte Carlo algorithms for the graph ensemble are reasonably efficient but not free of critical slowing down. Polyakov line correlators can be measured in this approach with small relative errors that are independent of the separation. As a first application our results are confronted with effective string theory predictions. In addition, the excess free energy due to twisted boundary conditions becomes an easily accessible observable. Our numerical experiments are in three dimensions, but the method is expected to work in any dimension.

  15. Simulation of horizontal slug-flow pneumatic conveying with kinetic theory

    Institute of Scientific and Technical Information of China (English)

    GU Zhengmeng; GUO Liejin

    2007-01-01

    Wavelike slug-flow is a representative flow type in horizontal pneumatic conveying.Kinetic theory was introduced to establish a 3D kinetic numerical model for wavelike slug gas-solid flow in this paper.Wavelike motion of particulate slugs in horizontal pipes was numerically investigated.The formation and motion process of slugs and settled layer were simulated.The characteristics of the flow,such as pressure drop,air velocity distribution,slug length and settled layer thickness,and the detailed changing characteristics of slug length and settled layer thickness with air velocity were obtained.The results indicate that kinetic theory can represent the physical characteristics of the non-suspension dense phase flow of wavelike slug pneumatic conveying.The experiment in this paper introduced a new idea for the numerical calculation of slug-flow pneumatic conveying.

  16. Random Matrix Theory Analysis of Cross Correlations in Molecular Dynamics Simulations of Macro-Biomolecules

    Science.gov (United States)

    Yamanaka, Masanori

    2013-08-01

    We apply the random matrix theory to analyze the molecular dynamics simulation of macromolecules, such as proteins. The eigensystem of the cross-correlation matrix for the time series of the atomic coordinates is analyzed. We study a data set with seven different sampling intervals to observe the characteristic motion at each time scale. In all cases, the unfolded eigenvalue spacings are in agreement with the predictions of random matrix theory. In the short-time scale, the cross-correlation matrix has the universal properties of the Gaussian orthogonal ensemble. The eigenvalue distribution and inverse participation ratio have a crossover behavior between the universal and nonuniversal classes, which is distinct from the known results such as the financial time series. Analyzing the inverse participation ratio, we extract the correlated cluster of atoms and decompose it to subclusters.

  17. Numerical simulation of the second-order Stokes theory using finite difference method

    Directory of Open Access Journals (Sweden)

    M.A. Maâtoug

    2016-09-01

    Full Text Available The nonlinear water waves problem is of great importance because, according to the mechanical modeling of this problem, a relationship exists between the potential flow and pressure exerted by water waves. The difficulty of this problem comes not only from the fact that the kinematic and dynamic conditions are nonlinear in relation to the velocity potential, but especially because they are applied at an unknown and variable free surface. To overcome this difficulty, Stokes used an approach consisting of perturbations series around the still water level to develop a nonlinear theory. This paper deals with computation of the second-order Stokes theory in order to simulate the potential flow and the surface elevation and then to deduct the pressure loads. The Crank–Nicholson scheme and the finite difference method are used. The modeling accuracy was proved and is of order two in time and in space. Some computational results are presented and discussed.

  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. 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 need 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.

  20. Drift of scroll waves in thin layers caused by thickness features: asymptotic theory and numerical simulations.

    Science.gov (United States)

    Biktasheva, I V; Dierckx, H; Biktashev, V N

    2015-02-13

    A scroll wave in a very thin layer of excitable medium is similar to a spiral wave, but its behavior is affected by the layer geometry. We identify the effect of sharp variations of the layer thickness, which is separate from filament tension and curvature-induced drifts described earlier. We outline a two-step asymptotic theory describing this effect, including asymptotics in the layer thickness and calculation of the drift of so-perturbed spiral waves using response functions. As specific examples, we consider drift of scrolls along thickness steps, ridges, ditches, and disk-shaped thickness variations. Asymptotic predictions agree with numerical simulations.

  1. Comparison of mode-coupling theory with molecular dynamics simulations from a unified point of view.

    Science.gov (United States)

    Narumi, Takayuki; Tokuyama, Michio

    2011-08-01

    We study the tagged-particle dynamics by solving equations of the mode-coupling theory (MCT). The numerical solutions are compared with results obtained by the molecular dynamics (MD) simulations from a unified point of view proposed by Tokuyama [Phys. Rev. E 80, 031503 (2009)]. We propose a way of comparison in which the reduced long-time self-diffusion coefficient is used to characterize states of the system. The comparison reveals that the tagged-particle dynamics calculated from MCT qualitatively deviates from that obtained by MD. Our results suggest that the deviation originates from the starting equation of MCT.

  2. Full simulation of chiral Random Matrix Theory at non-zero chemical potential by Complex Langevin

    CERN Document Server

    Mollgaard, A

    2014-01-01

    It is demonstrated that the complex Langevin method can simulate chiral random matrix theory at non-zero chemical potential. The successful match with the analytic prediction for the chiral condensate is established through a shift of matrix integration variables and choosing a polar representation for the new matrix elements before complexification. Furthermore, we test the proposal to work with a Langevin-time dependent quark mass and find that it allows us to control the fluctuations of the phase of the fermion determinant throughout the Langevin trajectory.

  3. Full simulation of chiral random matrix theory at nonzero chemical potential by complex Langevin

    Science.gov (United States)

    Mollgaard, A.; Splittorff, K.

    2015-02-01

    It is demonstrated that the complex Langevin method can simulate chiral random matrix theory at nonzero chemical potential. The successful match with the analytic prediction for the chiral condensate is established through a shift of matrix integration variables and choosing a polar representation for the new matrix elements before complexification. Furthermore, we test the proposal to work with a Langevin-time-dependent quark mass and find that it allows us to control the fluctuations of the phase of the fermion determinant throughout the Langevin trajectory.

  4. Simulated behaviour of field-assisted ionisation in the theory of Synthetic Poole Frenkel effect

    OpenAIRE

    1991-01-01

    A simulation is made of the behaviour of dc-current versus electric field when use is made of a new approach of Poole and Poole-Frenkel (PF) theories, we designated as Synthetic Poole Frenkel (SPF) effect (Ongaro and Pillonnet, in IEE Proc. PtA 138, 127-37). Quantitative illustration shows that our SPF approach succeeds fairly well in joining in a unique formulation the early Poole and PF approaches, which appear then as limiting cases. However, it is stressed that difficulties can be expecte...

  5. Lattice Simulations for Light Nuclei: Chiral Effective Field Theory at Leading Order

    CERN Document Server

    Borasoy, B; Krebs, H; Lee, D; Meißner, Ulf G; Borasoy, Bugra; Epelbaum, Evgeny; Krebs, Hermann; Lee, Dean; Mei{\\ss}ner, Ulf-G.

    2006-01-01

    We discuss lattice simulations of light nuclei at leading order in chiral effective field theory. Using lattice pion fields and auxiliary fields, we include the physics of instantaneous one-pion exchange and the leading-order S-wave contact interactions. We also consider higher-derivative contact interactions which adjust the S-wave scattering amplitude at higher momenta. By construction our lattice path integral is positive definite in the limit of exact Wigner SU(4) symmetry for any even number of nucleons. This SU(4) positivity and the approximate SU(4) symmetry of the low-energy interactions play an important role in suppressing sign and phase oscillations in Monte Carlo simulations. We assess the computational scaling of the lattice algorithm for light nuclei with up to eight nucleons and analyze in detail calculations of the deuteron, triton, and helium-4.

  6. Turbulent mixing and layer formation in double-diffusive convection: 3D numerical simulations and theory

    CERN Document Server

    Rosenblum, Erica; Traxler, Adrienne; Stellmach, Stephan

    2010-01-01

    Double-diffusive convection, often referred to as semi-convection in astrophysics, occurs in thermally and compositionally stratified systems which are stable according to the Ledoux-criterion but unstable according to the Schwarzchild criterion. This process has been given relatively little attention so far, and its properties remain poorly constrained. In this paper, we present and analyze a set of three-dimensional simulations of this phenomenon in a Cartesian domain under the Boussinesq approximation. We find that in some cases the double-diffusive convection saturates into a state of homogeneous turbulence, but with turbulent fluxes several orders of magnitude smaller than those expected from direct overturning convection. In other cases the system rapidly and spontaneously develops closely-packed thermo-compositional layers, which later successively merge until a single layer is left. We compare the output of our simulations with an existing theory of layer formation in the oceanographic context, and fi...

  7. 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.

  8. Toward Affordable, Theory-and-Simulation-Inspired, Models for Realistic Wind Turbine Aerodynamics and Noise

    Science.gov (United States)

    Ladeinde, Foluso; Alabi, Ken; Li, Wenhai

    2015-11-01

    The problem of generating design data for the operation of a farm of wind turbines for clean energy production is quite complicated, if properly done. Potential flow theories provide some models, but these are not suitable for the massive aerodynamic separation and turbulence that characterize many realistic wind turbine applications. Procedures, such as computational fluid dynamics (CFD), which can potentially resolve some of the accuracy problems with the purely theoretical approach, are quite expensive to use, and often prohibit real-time design and control. In our work, we seek affordable and acceptably-accurate models derived from the foregoing approaches. The simulation used in our study is based on high-fidelity CFD, meaning that we use high-order (compact-scheme based), mostly large-eddy simulation methods, with due regards for the proper treatment of the stochastic inflow turbulence data. Progress on the project described herein will be presented.

  9. A Thermodynamic Model for Square-well Chain Fluid: Theory and Monte Carlo Simulation

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    A thermodynamic model for the freely jointed square-well chain fluids was developed based on the thermodynamic perturbation theory of Barker-Henderson, Zhang and Wertheim. In this derivation Zhang's expressions for square-well monomers improved from Barker-Henderson compressibility approximation were adopted as the reference fluid, and Wertheim's polymerization method was used to obtain the free energy term due to the bond connectivity. An analytic expression for the Helmholtz free energy of the square-well chain fluids was obtained. The expression without adjustable parameters leads to the thermodynamic consistent predictions of the compressibility factors, residual internal energy and constant-volume heat capacity for dimer,4-mer, 8-mer and 16-mer square-well fluids. The results are in good agreement with the Monte Carlo simulation. To obtain the MC data of residual internal energy and the constant-volume heat capacity needed, NVT MC simulations were performed for these square-well chain fluids.

  10. IMPROVED QUANTITATIVE FEEDBACK THEORY TECHNIQUE AND APPLICATION TO THREE-AXIS HYDRAULIC SIMULATOR

    Institute of Scientific and Technical Information of China (English)

    YU Jinying; ZHAO Keding; CAO Jian

    2006-01-01

    In order to meet tracking performance index of three-axis hydraulic simulator, based on classical quantitative feedback theory (QFT), an improved QFT technique is used to synthesize controller of low gain and bandwidth. By choosing a special nominal plant, the improved method assigns relative magnitude and phase tracking error between system uncertainty and nominal control plant.Relative tracking error induced by system uncertainty is transformed into sensitivity problem and relative tracking error induced by nominal plant forms into a region on Nichols chart. The two constraints further form into a combined bound which is fit for magnitude and phase loop shaping. Because of leaving out pre-filter of classical QFT controller structure, tracking performance is enhanced greatly. Furthermore, a cascaded two-loop control strategy is proposed to heighten control effect. The improved technique's efficacy is validated by simulation and experiment results.

  11. Monte Carlo simulations of a supersymmetric matrix model of dynamical compactification in non perturbative string theory

    CERN Document Server

    Anagnostopoulos, Konstantinos N; Nishimura, Jun

    2012-01-01

    The IKKT or IIB matrix model has been postulated to be a non perturbative definition of superstring theory. It has the attractive feature that spacetime is dynamically generated, which makes possible the scenario of dynamical compactification of extra dimensions, which in the Euclidean model manifests by spontaneously breaking the SO(10) rotational invariance (SSB). In this work we study using Monte Carlo simulations the 6 dimensional version of the Euclidean IIB matrix model. Simulations are found to be plagued by a strong complex action problem and the factorization method is used for effective sampling and computing expectation values of the extent of spacetime in various dimensions. Our results are consistent with calculations using the Gaussian Expansion method which predict SSB to SO(3) symmetric vacua, a finite universal extent of the compactified dimensions and finite spacetime volume.

  12. Self-consistent approximation: Development and application to the problem of waves in inhomogeneous media

    Science.gov (United States)

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

    2017-10-01

    A new self-consistent approximation proposed earlier, is compared with various existing approximations, as well as with a numerical simulation of solutions of the wave equation for a medium with one-dimensional inhomogeneities. The Green's function, found using the new approach, is the closest to the result obtained by the numerical simulation. The results of the work show that the new approach has undoubted advantages in the study of stochastic problems in media with longwave inhomogeneities. The new self-consistent approximation in some cases has advantages over a numerical method: a more rapid process of calculation and the possibility of consideration of three-dimensional problems.

  13. Experimental verification of effect of horizontal inhomogeneity of evaporation duct on electromagnetic wave propagation

    Institute of Scientific and Technical Information of China (English)

    史阳; 杨坤德; 杨益新; 马远良

    2015-01-01

    The evaporation duct which forms above the ocean surface has a significant influence on electromagnetic wave prop-agation above 2 GHz over the ocean. The effects of horizontal inhomogeneity of evaporation duct on electromagnetic wave propagation are investigated, both in numerical simulation and experimental observation methods, in this paper. Firstly, the features of the horizontal inhomogeneity of the evaporation duct are discussed. Then, two typical inhomogeneous cases are simulated and compared with the homogeneous case. The result shows that path loss is significantly higher than that in the homogeneous case when the evaporation duct height (EDH) at the receiver is lower than that at the transmitter. It is also concluded that the horizontal inhomogeneity of the evaporation duct has a significant influence when the EDH is low or when the electromagnetic wave frequency is lower than 13 GHz. Finally, experimental data collected on a 149-km long propagation path in the South China Sea in 2013 are used to verify the conclusion. The experimental results are consis-tent with the simulation results. The horizontal inhomogeneity of evaporation duct should be considered when modeling electromagnetic wave propagation over the ocean.

  14. Testing standard perturbation theory and the Eulerian local biasing scheme against N-body simulations

    CERN Document Server

    Roth, Nina

    2011-01-01

    We test third-order standard perturbation theory (SPT) as an approximation to non-linear cosmological structure formation. A novel approach is used to numerically calculate the three-dimensional dark matter density field using SPT from the initial conditions of two high-resolution cosmological simulations. The calculated density field is compared to the non-linear dark matter field of the simulations both point-by-point and statistically. For smoothing scales above 8 Mpc/h it shows a good agreement up to redshift 0. We present a simple fitting formula to relate the linear and non-linear density contrast that accurately recovers the non-linear time evolution for 0 <= z <= 10 at the per cent level. To address the problem of biasing between the matter field and the haloes identified in the simulation, we employ the Eulerian local bias model (ELB), including non-linear bias up to the third order. The bias parameters are obtained by fitting a scatter plot of halo and matter density (both from the simulation ...

  15. 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.

  16. Hunting Local Mixmaster Dynamics in Spatially Inhomogeneous Cosmologies

    CERN Document Server

    Berger, B K

    2004-01-01

    Heuristic arguments and numerical simulations support the Belinskii et al (BKL) claim that the approach to the singularity in generic gravitational collapse is characterized by local Mixmaster dynamics (LMD). Here, one way to identify LMD in collapsing spatially inhomogeneous cosmologies is explored. By writing the metric of one spacetime in the standard variables of another, signatures for LMD may be found. Such signatures for the dynamics of spatially homogeneous Mixmaster models in the variables of U(1)-symmetric cosmologies are reviewed. Similar constructions for U(1)-symmetric spacetimes in terms of the dynamics of generic $T^2$-symmetric spacetime are presented.

  17. 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. We...... 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....

  18. 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.

  19. 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…

  20. 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…

  1. Inhomogeneous Chemical Evolution of the Galaxy in the Solar Neighbourhood

    Indian Academy of Sciences (India)

    S. Sahijpal

    2013-12-01

    -body numerical simulations of an inhomogeneous Galactic Chemical Evolution (GCE) of the solar neighbourhood with a high temporal resolution are presented. The solar annular ring is divided into distinct spatial grids of area ∼ 1–2 kpc2. Each grid evolves distinctly in terms of star formation and nucleosynthetic yields from numerous generations of stars. The evolution of the galaxy is simulated by considering discrete episodes of star formation. Subsequent to the evolution of the simulated stars within each grid the stellar nucleosynthetic yields are homogenized within the grid rather than the traditionally adopted criteria of homogenizing over the entire solar annular ring. This provides a natural mechanism of generating heterogeneities in the elemental abundance distribution of stars. A complex chemical evolutionary history is inferred that registers episodes of time-dependent contributions from SN II+Ib/c with respect to SN Ia. It was observed that heterogeneities can remerge even after episodes of large scale homogenizations on scales larger than the grid size. However, a comparison of the deduced heterogeneities with the observed scatter in the elemental abundances of the dwarf stars suggest only a partial match, specifically, for [Fe/H] > -0.5. The deduced heterogeneities in the case of carbon, oxygen, magnesium, silicon, sulphur, calcium and titanium can explain the observed heterogeneities for [Fe/H] < -0.5. It may not be possible to explain the entire observed spread exclusively on the basis of the inhomogeneous GCE.

  2. Deposition of Colloidal Particles on Homogeneous Surfaces: Integral-Equation Theory and Monte Carlo Simulation

    Science.gov (United States)

    Danwanichakul, Panu

    2009-01-01

    Deposition of large particles such as colloidal or bio-particles on a solid surface is usually modeled by the random sequential adsorption (RSA). The model was previously described by the integral-equation theory whose validity was proved by Monte Carlo simulation. This work generalized the model to include the concentration effect of added particles on the surface. The fraction of particles inserted was varied by the reduced number density of 0.05, 0.1, and 0.2. It was found that the modified integral-equation theory yielded the results in good accordance with the simulation. Regarding colloidal particles as hard spheres, when the fraction of particles added was increased, the radial distribution function has higher peak, due to the cooperative and entropic effects. This work could bridge the gap between equilibrium adsorption, where all particles may be considered moving and RSA, where there is no moving particle on the surface. In addition, the effect of attractive interaction was also incorporated and it was found that increasing number of added particles at one time yields less values of the radial distribution function.

  3. Numerical simulations of necklaces in SU(2) gauge-Higgs field theory

    Science.gov (United States)

    Hindmarsh, Mark; Rummukainen, Kari; Weir, David J.

    2017-03-01

    We perform the first numerical simulations of necklaces in a non-Abelian gauge theory. Necklaces are composite classical solutions which can be interpreted as monopoles trapped on strings, rather generic structures in a Grand Unified Theory. We generate necklaces from random initial conditions, modeling a phase transition in the early Universe, and study the evolution. For all cases, we find that the necklace system shows scaling behavior similar to that of a network of ordinary cosmic strings. Furthermore, our simulations indicate that comoving distance between the monopoles or semipoles along the string asymptotes to a constant value at late times. This means that, while the monopole-to-string energy density ratio decreases as the inverse of the scale factor, a horizon-size length of string has a large number of monopoles, significantly affecting the dynamics of string loops. We argue that gravitational wave bounds from millisecond pulsar timing on the string tension in the Nambu-Goto scenario are greatly relaxed.

  4. Progress in theory and simulation of ion cyclotron emission from magnetic confinement fusion plasmas

    Science.gov (United States)

    Dendy, Richard; Chapman, Ben; Chapman, Sandra; Cook, James; Reman, Bernard; McClements, Ken; Carbajal, Leopoldo

    2016-10-01

    Suprathermal ion cyclotron emission (ICE) is detected from all large tokamak and stellarator plasmas. Its frequency spectrum has narrow peaks at sequential cyclotron harmonics of the energetic ion population (fusion-born or neutral beam-injected) at the outer edge of the plasma. ICE was the first collective radiative instability driven by confined fusion-born ions observed in deuterium-tritium plasmas in JET and TFTR, and the magnetoacoustic cyclotron instability is the most likely emission mechanism. Contemporary ICE measurements are taken at very high sampling rates from the LHD stellarator and from the conventional aspect ratio KSTAR tokamak. A correspondingly advanced modelling capability for the ICE emission mechanism has been developed using 1D3V PIC and hybrid-PIC codes, supplemented by analytical theory. These kinetic codes simulate the self-consistent full orbit dynamics of energetic and thermal ions, together with the electric and magnetic fields and the electrons. We report recent progress in theory and simulation that addresses: the scaling of ICE intensity with energetic particle density; the transition between super-Alfvénic and sub-Alfvénic regimes for the collectively radiating particles; and the rapid time evolution that is seen for some ICE measurements. This work was supported in part by the RCUK Energy Programme [Grant Number EP/I501045] and by Euratom.

  5. Binding kinetics of membrane-anchored receptors and ligands: Molecular dynamics simulations and theory.

    Science.gov (United States)

    Hu, Jinglei; Xu, Guang-Kui; Lipowsky, Reinhard; Weikl, Thomas R

    2015-12-28

    The adhesion of biological membranes is mediated by the binding of membrane-anchored receptor and ligand proteins. Central questions are how the binding kinetics of these proteins is affected by the membranes and by the membrane anchoring of the proteins. In this article, we (i) present detailed data for the binding of membrane-anchored proteins from coarse-grained molecular dynamics simulations and (ii) provide a theory that describes how the binding kinetics depends on the average separation and thermal roughness of the adhering membranes and on the anchoring, lengths, and length variations of the proteins. An important element of our theory is the tilt of bound receptor-ligand complexes and transition-state complexes relative to the membrane normals. This tilt results from an interplay of the anchoring energy and rotational entropy of the complexes and facilitates the formation of receptor-ligand bonds at membrane separations smaller than the preferred separation for binding. In our simulations, we have considered both lipid-anchored and transmembrane receptor and ligand proteins. We find that the binding equilibrium constant and binding on-rate constant of lipid-anchored proteins are considerably smaller than the binding constant and on-rate constant of rigid transmembrane proteins with identical binding domains.

  6. 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.

  7. Fluid theory and kinetic simulation of two-dimensional electrostatic streaming instabilities in electron-ion plasmas

    Science.gov (United States)

    Jao, C.-S.; Hau, L.-N.

    2016-11-01

    Electrostatic streaming instabilities have been proposed as the generation mechanism for the electrostatic solitary waves observed in various space plasma environments. Past studies on the subject have been mostly based on the kinetic theory and particle simulations. In this paper, we extend our recent study based on one-dimensional fluid theory and particle simulations to two-dimensional regimes for both bi-streaming and bump-on-tail streaming instabilities in electron-ion plasmas. Both linear fluid theory and kinetic simulations show that for bi-streaming instability, the oblique unstable modes tend to be suppressed by the increasing background magnetic field, while for bump-on-tail instability, the growth rates of unstable oblique modes are increased with increasing background magnetic field. For both instabilities, the fluid theory gives rise to the linear growth rates and the wavelengths of unstable modes in good agreement with those obtained from the kinetic simulations. For unmagnetized and weakly magnetized systems, the formed electrostatic structures tend to diminish after the long evolution, while for relatively stronger magnetic field cases, the solitary waves may merge and evolve to steady one-dimensional structures. Comparisons between one and two-dimensional results are made and the effects of the ion-to-electron mass ratio are also examined based on the fluid theory and kinetic simulations. The study concludes that the fluid theory plays crucial seeding roles in the kinetic evolution of electrostatic streaming instabilities.

  8. 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.

  9. Comparison of dust charging between Orbital-Motion-Limited theory and Particle-In-Cell simulations

    CERN Document Server

    Delzanno, Gian Luca

    2016-01-01

    The Orbital-Motion-Limited (OML) theory has been modified to predict the dust charge and the results were contrasted with the Whipple approximation [Tang and Delzanno, Phys. Plasmas 21, 123708 (2014)]. To further establish its regime of applicability, in this paper the OML predictions (for a non-electron-emitting, spherical dust grain at rest in a collisionless, unmagnetized plasma) are compared with Particle-In-Cell simulations that retain the absorption radius effect. It is found that for large dust grain radius $r_d$ relative to the plasma Debye length $\\lambda_D$, the revised OML theory remains a very good approximation as, for the parameters considered ($r_d/\\lambda_D\\le10$, equal electron and ion temperatures), it yields the dust charge to within $20\\%$ accuracy. This is a substantial improvement over the Whipple approximation. The dust collected currents and energy fluxes, which remain the same in the revised and standard OML theories, are accurate to within $15-30\\%$.

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

    Science.gov (United States)

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

    2016-07-01

    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.

  11. General polarized ray-tracing method for inhomogeneous uniaxially anisotropic media

    NARCIS (Netherlands)

    Sluijter, M.; De Boer, D.K.G.; Braat, J.J.M.

    2008-01-01

    Uniaxial optical anisotropy in the geometrical-optics approach is a classical problem, and most of the theory has been known for at least fifty years. Although the subject appears frequently in the literature, wave propagation through inhomogeneous anisotropic media is rarely addressed. The rapid ad

  12. Scattering of inhomogeneous circularly polarized optical field and mechanical manifestation of the internal energy flows

    DEFF Research Database (Denmark)

    Bekshaev, A. Ya; Angelsky, O. V.; Hanson, Steen Grüner

    2012-01-01

    Based on the Mie theory and on the incident beam model via superposition of two plane waves, we analyze numerically the momentum flux of the field scattered by a spherical, nonmagnetic microparticle placed within the spatially inhomogeneous circularly polarized paraxial light beam. The asymmetry...... flow in light fields....

  13. Inhomogeneous model colloid-polymer mixtures: adsorption at a hard wall.

    Science.gov (United States)

    Brader, J M; Dijkstra, M; Evans, R

    2001-04-01

    We study the equilibrium properties of inhomogeneous model colloid-polymer mixtures. By integrating out the degrees of freedom of the ideal polymer coils, we derive a formal expression for the effective one-component Hamiltonian of the (hard sphere) colloids that is valid for arbitrary external potentials acting on both the colloids and the polymers. We show how one can recover information about the distribution of polymer in the mixture given knowledge of the colloid correlation functions calculated using the effective one-component Hamiltonian. This result is then used to furnish the connection between the free-volume and perturbation theory approaches to determining the bulk phase equilibria. For the special case of a planar hard wall the effective Hamiltonian takes an explicit form, consisting of zero-, one-, and two-body, but no higher-body, contributions provided the size ratio q=sigma(p)/sigma(c)sigma(c) and sigma(p) denote the diameters of colloid and polymer respectively. We employ a simple density functional theory to calculate colloid density profiles from this effective Hamiltonian for q=0.1. The resulting profiles are found to agree well with those from Monte Carlo simulations for the same Hamiltonian. Adding very small amounts of polymer gives rise to strong depletion effects at the hard wall which lead to pronounced enhancement of the colloid density profile (close to the wall) over what is found for hard spheres at a hard wall.

  14. Inhomogeneous dephasing masks coherence lifetimes in ensemble measurements.

    Science.gov (United States)

    Pelzer, Kenley M; Griffin, Graham B; Gray, Stephen K; Engel, Gregory S

    2012-04-28

    An open question at the forefront of modern physical sciences is what role, if any, quantum effects may play in biological sensing and energy transport mechanisms. One area of such research concerns the possibility of coherent energy transport in photosynthetic systems. Spectroscopic evidence of long-lived quantum coherence in photosynthetic light-harvesting pigment protein complexes (PPCs), along with theoretical modeling of PPCs, has indicated that coherent energy transport might boost efficiency of energy transport in photosynthesis. Accurate assessment of coherence lifetimes is crucial for modeling the extent to which quantum effects participate in this energy transfer, because such quantum effects can only contribute to mechanisms proceeding on timescales over which the coherences persist. While spectroscopy is a useful way to measure coherence lifetimes, inhomogeneity in the transition energies across the measured ensemble may lead to underestimation of coherence lifetimes from spectroscopic experiments. Theoretical models of antenna complexes generally model a single system, and direct comparison of single system models to ensemble averaged experimental data may lead to systematic underestimation of coherence lifetimes, distorting much of the current discussion. In this study, we use simulations of the Fenna-Matthews-Olson complex to model single complexes as well as averaged ensembles to demonstrate and roughly quantify the effect of averaging over an inhomogeneous ensemble on measured coherence lifetimes. We choose to model the Fenna-Matthews-Olson complex because that system has been a focus for much of the recent discussion of quantum effects in biology, and use an early version of the well known environment-assisted quantum transport model to facilitate straightforward comparison between the current model and past work. Although ensemble inhomogeneity is known to lead to shorter lifetimes of observed oscillations (simply inhomogeneous spectral

  15. 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.

  16. Homogeneous states in driven granular mixtures: Enskog kinetic theory versus molecular dynamics simulations.

    Science.gov (United States)

    Khalil, Nagi; Garzó, Vicente

    2014-04-28

    The homogeneous state of a binary mixture of smooth inelastic hard disks or spheres is analyzed. The mixture is driven by a thermostat composed by two terms: a stochastic force and a drag force proportional to the particle velocity. The combined action of both forces attempts to model the interaction of the mixture with a bath or surrounding fluid. The problem is studied by means of two independent and complementary routes. First, the Enskog kinetic equation with a Fokker-Planck term describing interactions of particles with thermostat is derived. Then, a scaling solution to the Enskog kinetic equation is proposed where the dependence of the scaled distributions φi of each species on the granular temperature occurs not only through the dimensionless velocity c = v/v0 (v0 being the thermal velocity) but also through the dimensionless driving force parameters. Approximate forms for φi are constructed by considering the leading order in a Sonine polynomial expansion. The ratio of kinetic temperatures T1/T2 and the fourth-degree velocity moments λ1 and λ2 (which measure non-Gaussian properties of φ1 and φ2, respectively) are explicitly determined as a function of the mass ratio, size ratio, composition, density, and coefficients of restitution. Second, to assess the reliability of the theoretical results, molecular dynamics simulations of a binary granular mixture of spheres are performed for two values of the coefficient of restitution (α = 0.9 and 0.8) and three different solid volume fractions (ϕ = 0.00785, 0.1, and 0.2). Comparison between kinetic theory and computer simulations for the temperature ratio shows excellent agreement, even for moderate densities and strong dissipation. In the case of the cumulants λ1 and λ2, good agreement is found for the lower densities although significant discrepancies between theory and simulation are observed with increasing density.

  17. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.

    Science.gov (United States)

    Hafner, Jürgen

    2008-10-01

    During the past decade, computer simulations based on a quantum-mechanical description of the interactions between electrons and between electrons and atomic nuclei have developed an increasingly important impact on solid-state physics and chemistry and on materials science-promoting not only a deeper understanding, but also the possibility to contribute significantly to materials design for future technologies. This development is based on two important columns: (i) The improved description of electronic many-body effects within density-functional theory (DFT) and the upcoming post-DFT methods. (ii) The implementation of the new functionals and many-body techniques within highly efficient, stable, and versatile computer codes, which allow to exploit the potential of modern computer architectures. In this review, I discuss the implementation of various DFT functionals [local-density approximation (LDA), generalized gradient approximation (GGA), meta-GGA, hybrid functional mixing DFT, and exact (Hartree-Fock) exchange] and post-DFT approaches [DFT + U for strong electronic correlations in narrow bands, many-body perturbation theory (GW) for quasiparticle spectra, dynamical correlation effects via the adiabatic-connection fluctuation-dissipation theorem (AC-FDT)] in the Vienna ab initio simulation package VASP. VASP is a plane-wave all-electron code using the projector-augmented wave method to describe the electron-core interaction. The code uses fast iterative techniques for the diagonalization of the DFT Hamiltonian and allows to perform total-energy calculations and structural optimizations for systems with thousands of atoms and ab initio molecular dynamics simulations for ensembles with a few hundred atoms extending over several tens of ps. Applications in many different areas (structure and phase stability, mechanical and dynamical properties, liquids, glasses and quasicrystals, magnetism and magnetic nanostructures, semiconductors and insulators, surfaces

  18. 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.

  19. 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

  20. 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

  1. Coupling density functional theory to polarizable force fields for efficient and accurate Hamiltonian molecular dynamics simulations.

    Science.gov (United States)

    Schwörer, Magnus; Breitenfeld, Benedikt; Tröster, Philipp; Bauer, Sebastian; Lorenzen, Konstantin; Tavan, Paul; Mathias, Gerald

    2013-06-28

    Hybrid molecular dynamics (MD) simulations, in which the forces acting on the atoms are calculated by grid-based density functional theory (DFT) for a solute molecule and by a polarizable molecular mechanics (PMM) force field for a large solvent environment composed of several 10(3)-10(5) molecules, pose a challenge. A corresponding computational approach should guarantee energy conservation, exclude artificial distortions of the electron density at the interface between the DFT and PMM fragments, and should treat the long-range electrostatic interactions within the hybrid simulation system in a linearly scaling fashion. Here we describe a corresponding Hamiltonian DFT/(P)MM implementation, which accounts for inducible atomic dipoles of a PMM environment in a joint DFT/PMM self-consistency iteration. The long-range parts of the electrostatics are treated by hierarchically nested fast multipole expansions up to a maximum distance dictated by the minimum image convention of toroidal boundary conditions and, beyond that distance, by a reaction field approach such that the computation scales linearly with the number of PMM atoms. Short-range over-polarization artifacts are excluded by using Gaussian inducible dipoles throughout the system and Gaussian partial charges in the PMM region close to the DFT fragment. The Hamiltonian character, the stability, and efficiency of the implementation are investigated by hybrid DFT/PMM-MD simulations treating one molecule of the water dimer and of bulk water by DFT and the respective remainder by PMM.

  2. 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.

  3. Simulation of direct contact condensation of steam jets based on interfacial instability theories

    Science.gov (United States)

    Heinze, David; Schulenberg, Thomas; Class, Andreas; Behnke, Lars

    2014-11-01

    A simulation model for the direct contact condensation of steam in subcooled water is presented that allows to determine major parameters of the process such as the jet penetration length. Entrainment of water by the steam jet is modeled based on the Kelvin-Helmholtz and Rayleigh-Taylor instability theories. Primary atomization due to acceleration of interfacial waves and secondary atomization due to aerodynamic forces account for the initial size of entrained droplets. The resulting steam-water two-phase flow is simulated based on a one-dimensional two-fluid model. An interfacial area transport equation is used to track changes of the interfacial area density due to droplet entrainment and steam condensation. Interfacial heat and mass transfer rates during condensation are calculated using the two-resistance model. The resulting two-phase flow equations constitute a system of ordinary differential equations which is discretized by means of an explicit Runge-Kutta method. The simulation results are in good agreement with published experimental data over a wide range of pool temperatures and mass flow rates. funded by RWE Power AG.

  4. Unveiling the complex glassy dynamics of square shoulder systems: Simulations and theory

    Science.gov (United States)

    Das, Gayatri; Gnan, Nicoletta; Sciortino, Francesco; Zaccarelli, Emanuela

    2013-04-01

    We performed extensive molecular dynamics (MD) simulations, supplemented by Mode Coupling Theory (MCT) calculations, for the square shoulder model, a purely repulsive potential where the hardcore is complemented by a finite shoulder. For the one-component version of this model, MCT predicted [Sperl et al., Phys. Rev. Lett. 104, 145701 (2010), 10.1103/PhysRevLett.104.145701] the presence of diffusion anomalies both upon cooling and upon compression and the occurrence of glass-glass transitions. In the simulations, we focus on a non-crystallising binary mixture, which, at the investigated shoulder width, shows a non-monotonic behaviour of the diffusion upon cooling but not upon isothermal compression. In addition, we find the presence of a disconnected glass-glass line in the phase diagram, ending in two higher order singularities. These points generate a logarithmic dependence of the density correlators as well as a subdiffusive behaviour of the mean squared displacement, although with the interference of the nearby liquid-glass transition. We also perform novel MCT calculations using as input the partial structure factors obtained within MD, confirming the simulation results. The presence of two hard sphere glasses, differing only in their hardcore length, is revealed, showing that the simple competition between the two is sufficient for creating a rather complex dynamical behaviour.

  5. Effect of ambient flow inhomogeneity on drag forces on a sphere at finite Reynolds numbers

    Science.gov (United States)

    Kim, Jungwoo; Balachandar, S.; Lee, Hyungoo

    2013-11-01

    For studies on particle-laden flows involving particle transport and dispersion, the prediction capability of hydrodynamic forces on the particle in a non-uniform flow is one of the central issues. However, existing analytical expressions and empirical correlations are mainly made based on the homogeneous flow conditions such as uniform or uniform shear flows. Therefore, the objective of this study is to investigate the effect of flow inhomogeneity on drag forces on a sphere at finite Reynolds numbers. To do so, we perform direct numerical simulations of flow over a sphere in an inhomogeneous flow. In this study, we consider three different kinds of the inhomogeneous flows: cosine, hyperbolic cosine and hyperbolic secant profiles. The Reynolds number of the sphere based on the freestream velocity and sphere diameter is 100. The present simulations show that the quasi-steady drag forces in inhomogeneous flows are reasonably estimated by standard drag law based on the relative velocity if the fluid velocity seen by the particle is evaluated by surface average. The results support Loth and Dorgan (2009)'s proposed formula. In the final presentation, the effect of ambient flow inhomogeneity on drag forces would be presented in more detail.

  6. 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.

  7. Beginning inflation in an inhomogeneous universe

    Energy Technology Data Exchange (ETDEWEB)

    East, William E. [Kavli Institute for Particle Astrophysics and Cosmology, Stanford University, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); Kleban, Matthew [Center for Cosmology and Particle Physics, New York University, New York, New York 10003 (United States); Linde, Andrei [SITP and Department of Physics, Stanford University,Stanford, California 94305 (United States); Senatore, Leonardo [Kavli Institute for Particle Astrophysics and Cosmology, Stanford University, SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States); SITP and Department of Physics, Stanford University,Stanford, California 94305 (United States)

    2016-09-06

    Using numerical solutions of the full Einstein field equations coupled to a scalar inflaton field in 3+1 dimensions, we study the conditions under which a universe that is initially expanding, highly inhomogeneous and dominated by gradient energy can transition to an inflationary period. If the initial scalar field variations are contained within a sufficiently flat region of the inflaton potential, and the universe is spatially flat or open on average, inflation will occur following the dilution of the gradient and kinetic energy due to expansion. This is the case even when the scale of the inhomogeneities is comparable to the initial Hubble length, and overdense regions collapse and form black holes, because underdense regions continue expanding, allowing inflation to eventually begin. This establishes that inflation can arise from highly inhomogeneous initial conditions and solve the horizon and flatness problems, at least as long as the variations in the scalar field do not include values that exceed the inflationary plateau.

  8. Retrievals of underlying surface roughness and moisture from polarimetric pulse echoes in the specular direction through inhomogeneous vegetation canopy

    Institute of Scientific and Technical Information of China (English)

    金亚秋; 陈扉; 常梅

    2003-01-01

    The time-dependent Mueller matrix solution of vector radiative transfer for inhomogeneous random media of non-spherical scatterers is presented. Co-polarized and cross-polarized bistatic scatterings for a polarized pulse incidence are numerically simulated. Numerical results well demonstrate volumetric and surface scattering mechanism and depict the inhomogeneous fraction profile of random scatterers. The peak tails in polarized echoes due to wave reflections from the underlying surface can be identified. Its co-polarized peaks in the specular direction are applied to simultaneous retrievals of the underlying surface roughness and moisture in the presence of inhomogeneous vegetation canopy.

  9. Stability of a cantilevered skew inhomogeneous plate in supersonic gas flow

    Science.gov (United States)

    Isaulova, T. N.; Lavit, I. M.

    2011-07-01

    This paper considers the vibrations of a skew inhomogeneous plate in gas flow. The plate is clamped in a certain section of one of its sides. Interaction of the flow with the plate is described using piston theory. The problem solution is based on the Hamilton's variational principle and finite element method. The calculation results are compared with known data of theoretical studies and experiments. For the inhomogeneous plate, similarity parameters were established for the problem, which, in practically important cases, appears to be self-similar for one of the similarity parameters. This allows one to reduce the solution of this problem to the solution of an algebraic eigenvalue problem.

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

    Science.gov (United States)

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

    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.

  11. On electromagnetic field problems in inhomogeneous media

    Science.gov (United States)

    Mohsen, A.

    1973-01-01

    Analysis of electromagnetic fields in inhomogeneous media is of practical interest in general scattering and propagation problems and in the study of lenses. For certain types of inhomogeneities, the fields may be represented in terms of two scalars. In a general orthogonal coordinate system, these potentials satisfy second order differential equations. Exact solutions of these equations are known only for a few particular cases and in general, an approximate or numerical technique must be employed. The present work reviews and generalizes some of the main methods of attack of the problem. The results are presented in a form appropriate for numerical computation.

  12. Cosmological perturbations from an inhomogeneous phase transition

    Energy Technology Data Exchange (ETDEWEB)

    Matsuda, Tomohiro, E-mail: matsuda@sit.ac.j [Laboratory of Physics, Saitama Institute of Technology, Fusaiji, Okabe-machi, Saitama 369-0293 (Japan)

    2009-07-21

    A mechanism for generating metric perturbations in inflationary models is considered. Long-wavelength inhomogeneities of light scalar fields in a decoupled sector may give rise to superhorizon fluctuations of couplings and masses in the low-energy effective action. Cosmological phase transitions may then occur that are not simultaneous in space, but occur with time lags in different Hubble patches that arise from the long-wavelength inhomogeneities. Here an interesting model in which cosmological perturbations may be created at the electroweak phase transition is considered. The results show that phase transitions may be a generic source of non-Gaussianity.

  13. Soliton structure dynamics in inhomogeneous media

    CERN Document Server

    Guerrero, L E; González, J A

    1998-01-01

    We show that soliton interaction with finite-width inhomogeneities can activate a great number of soliton internal modes. We obtain the exact stationary soliton solution in the presence of inhomogeneities and solve exactly the stability problem. We present a Karhunen-Loeve analysis of the soliton structure dynamics as a time-dependent force pumps energy into the traslational mode of the kink. We show the importance of the internal modes of the soliton as they can generate shape chaos for the soliton as well as cases in which the first shape mode leads the dynamics.

  14. Spectral Distortion in a Radially Inhomogeneous Cosmology

    CERN Document Server

    Caldwell, R R

    2013-01-01

    The spectral distortion of the cosmic microwave background blackbody spectrum in a radially inhomogeneous spacetime, designed to exactly reproduce a LambdaCDM expansion history along the past light cone, is shown to exceed the upper bound established by COBE-FIRAS by a factor of approximately 3000. This simple observational test helps uncover a slew of pathological features that lie hidden inside the past light cone, including a radially contracting phase at decoupling and, if followed to its logical extreme, a naked singularity at the radially inhomogeneous Big Bang.

  15. Cosmic inhomogeneities and averaged cosmological dynamics.

    Science.gov (United States)

    Paranjape, Aseem; Singh, T P

    2008-10-31

    If general relativity (GR) describes the expansion of the Universe, the observed cosmic acceleration implies the existence of a "dark energy." However, while the Universe is on average homogeneous on large scales, it is inhomogeneous on smaller scales. While GR governs the dynamics of the inhomogeneous Universe, the averaged homogeneous Universe obeys modified Einstein equations. Can such modifications alone explain the acceleration? For a simple generic model with realistic initial conditions, we show the answer to be "no." Averaging effects negligibly influence the cosmological dynamics.

  16. Spectral distortion in a radially inhomogeneous cosmology

    Science.gov (United States)

    Caldwell, R. R.; Maksimova, N. A.

    2013-11-01

    The spectral distortion of the cosmic microwave background blackbody spectrum in a radially inhomogeneous space-time, designed to exactly reproduce a ΛCDM expansion history along the past light cone, is shown to exceed the upper bound established by COBE-FIRAS by a factor of approximately 3700. This simple observational test helps uncover a slew of pathological features that lie hidden inside the past light cone, including a radially contracting phase at decoupling and, if followed to its logical extreme, a naked singularity at the radially inhomogeneous big bang.

  17. 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

  18. Efficient vector radiative transfer calculations in vertically inhomogeneous cloudy atmospheres

    Science.gov (United States)

    van Diedenhoven, Bastiaan; Hasekamp, Otto P.; Landgraf, Jochen

    2006-08-01

    Accurate radiative transfer calculations in cloudy atmospheres are generally time consuming, limiting their practical use in satellite remote sensing applications. We present a model to efficiently calculate the radiative transfer of polarized light in atmospheres that contain homogeneous cloud layers. This model combines the Gauss-Seidel method, which is efficient for inhomogeneous cloudless atmospheres, with the doubling method, which is efficient for homogeneous cloud layers. Additionally to reduce the computational effort for radiative transfer calculations in absorption bands, the cloud reflection and transmission matrices are interpolated over the absorption and scattering optical thicknesses within the cloud layer. We demonstrate that the proposed radiative transfer model in combination with this interpolation technique is efficient for the simulation of satellite measurements for inhomogeneous atmospheres containing one homogeneous cloud layer. For example, the Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY) measurements in the oxygen A band (758-773 nm) and the Hartley-Huggins ozone band (295-335 nm) with a spectral resolution of 0.4 nm can be simulated for these atmospheres within 1 min on a 2.8 GHz PC with an accuracy better than 0.1%.

  19. 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.

  20. 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.

  1. Selective adsorption and phase equilibria of confined fluids: Density-functional theory and Monte Carlo simulation

    Science.gov (United States)

    Sowers, Susanne Lynn

    1997-11-01

    Microporous sorbents such as carbons, silicas and aluminas are used commercially in a variety of separation, purification and selective reaction applications. A detailed study of the effects of the porous material characteristics on the adsorption equilibrium properties such as selectivity and phase equilibria of fluid mixtures can enhance our understanding of adsorption on a molecular level. Such knowledge will improve our utilization of such adsorbents and provide a tool for directing the future of tailoring sorbents for particular separation processes. The effect of pore size, shape and pressure on the selective adsorption of trace pollutants from an inert gas was studied using prototype mixtures of Lennard-Tones (LJ) N2/CCl4, CF4, and SO2. Both nonlocal density functional theory (DFT) and grand canonical Monte Carlo (GCMC) molecular simulations were used in order to investigate the validity of the theory, which is much quicker and easier to use. Our results indicate that there is an optimal pore size and shape for which the pollutant selectivity is greatly enhanced. In many industrial adsorption processes relative humidity can greatly affect the life of an adsorbent bed, as seen in breakthrough curves. Therefore, the influence of water vapor on the selective adsorption of CCl4 from a mixture of N2/CCl4/H20 in activated carbon was studied using GCMC simulations. The equilibrium adsorption properties are found to be dependent upon both the density of active sites on the pore walls and the relative humidity. Liquid-liquid transitions in porous materials are of interest in connection with oil recovery, lubrication, coating technology and pollution control. The results of a study on the effect of confinement on the liquid-liquid equilibrium of binary LJ mixtures using DFT are compared with those of molecular simulation and experiments. Our findings show that the phase coexistence for the confined mixture is in general decreased and shifted toward the component which

  2. Holographic confinement in inhomogenous backgrounds

    CERN Document Server

    Marolf, Donald

    2016-01-01

    As noted by Witten, compactifying a $d$-dimensional holographic CFT on an $S^1$ gives a class of $(d-1)$-dimensional confining theories with gravity duals. The prototypical bulk solution dual to the ground state is a double Wick rotation of the AdS$_{d+1}$ Schwarzschild black hole known as the AdS soliton. We generalize such examples by allowing slow variations in the size of the $S^1$, and thus in the confinement scale. Coefficients governing the second order response of the system are computed for $3 \\le d \\le 8$ using a derivative expansion closely related to the fluid-gravity correspondence. The primary physical results are that i) gauge-theory flux tubes tend to align orthogonal to gradients and along the eigenvector of the Hessian with the lowest eigenvalue, ii) flux tubes aligned orthogonal to gradients are attracted to gradients for $d \\le 6$ but repelled by gradients for $d \\ge 7$, iii) flux tubes are repelled by regions where the second derivative along the tube is large and positive but are attract...

  3. Estimation of geometrically undistorted B(0) 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

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

    Science.gov (United States)

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

    2008-08-21

    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 B(8).

  5. Simulations results for U(1) gauge theory on non-commutative spaces

    Energy Technology Data Exchange (ETDEWEB)

    Bietenholz, W. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Bigarini, A. [Univ. degli Studi di Perugia (Italy). Dipt. di Fisica; Nishimura, J. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan)]|[Graduate Univ. for Advanced Studies Tsukuba (Japan). Dept. of Particle and Nuclear Physics; Susaki, Y. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki (Japan)]|[Tsukuba Univ. (Japan). Graduate School of Pure and Applied Science; Torrielli, A. [Massachusetts Institute of Technology (MIT), Cambridge, MA (United States). Center for Theoretical Physics, Lab. for Nuclear Sciences and Dept. of Physics; Volkholz, J. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik

    2007-11-15

    We present numerical results for U(1) gauge theory in 2d and 4d spaces involving a noncommutative plane. Simulations are feasible thanks to a mapping of the non-commutative plane onto a twisted matrix model. In d=2 it was a long-standing issue if Wilson loops are (partially) invariant under area-preserving diffeomorphisms. We show that non-perturbatively this invariance breaks, including the subgroup SL(2,R). In both cases, d=2 and d=4, we extrapolate our results to the continuum and infinite volume by means of a Double Scaling Limit. In d=4 this limit leads to a phase with broken translation symmetry, which is not affected by the perturbatively known IR instability. Therefore the photon may survive in a non-commutative world. (orig.)

  6. Using theory and simulation to link molecular features of nanoscale fillers to morphology in polymer nanocomposites

    Science.gov (United States)

    Jayaraman, Arthi; Martin, Tyler

    2014-03-01

    Polymer nanocomposites are a class of materials that consist of a polymer matrix embedded with nanoscale fillers or additives that enhance the inherent properties of the matrix polymer. To engineer polymer nanocomposites for specific applications with target macroscopic properties (e.g. photovoltaics, photonics, automobile parts) it is important to have design rules that relate molecular features to equilibrium morphology of the composite. In the first part of the talk I will present our recent theory and simulation work on composites containing polymer grafted nanoparticles, showing how polydispersity in graft and matrix polymers (physical heterogeneity) can be used to stabilize dispersion of the nanoparticles within a polymer matrix. In the second part of the talk I will present our recent work linking block-copolymer functionalization to the nanoparticle location in a polymer matrix consisting of homopolymer blends.

  7. Study of shear banding in simulated amorphous solids in the context of shear transformation zone theory

    Science.gov (United States)

    Alix-Williams, Darius; Falk, Michael L.

    2015-03-01

    We examine the general framework of the effective temperature formalism of the shear transformation zone (STZ) theory of plasticity via molecular dynamics simulation of two distinct amorphous systems - Silicon and Cu-Zr. In both systems strain localization is observed during simple shear loading. The shear bands differ in the rate of broadening and the sharpness of the interface between the flowing and jammed material. We examine both systems for scaling expected to arise between effective temperature and shear rate. For each system a local dimensionless effective temperature that quantifies structural disorder is extracted by assuming a linear relation to the local potential energy per atom. Research possible through support from National Science Foundation Grant No. 0801471.

  8. Simulation Results for U(1) Gauge Theory on Non-Commutative Spaces

    CERN Document Server

    Bietenholz, W; Nishimura, J; Susaki, Y; Torrielli, A; Volkholz, J

    2007-01-01

    We present numerical results for U(1) gauge theory in 2d and 4d spaces involving a non-commutative plane. Simulations are feasible thanks to a mapping of the non-commutative plane onto a twisted matrix model. In d=2 it was a long-standing issue if Wilson loops are (partially) invariant under area-preserving diffeomorphisms. We show that non-perturbatively this invariance breaks, including the subgroup SL(2,R). In both cases, d=2 and d=4, we extrapolate our results to the continuum and infinite volume by means of a Double Scaling Limit. In d=4 this limit leads to a phase with broken translation symmetry, which is not affected by the perturbatively known IR instability. Therefore the photon may survive in a non-commutative world.

  9. An analysis on the theory of pulse oximetry by Monte Carlo simulation

    Science.gov (United States)

    Fan, Shangchun; Cai, Rui; Xing, Weiwei; Liu, Changting; Chen, Guangfei; Wang, Junfeng

    2008-10-01

    The pulse oximetry is a kind of electronic instrument that measures the oxygen saturation of arterial blood and pulse rate by non-invasive techniques. It enables prompt recognition of hypoxemia. In a conventional transmittance type pulse oximeter, the absorption of light by oxygenated and reduced hemoglobin is measured at two wavelength 660nm and 940nm. But the accuracy and measuring range of the pulse oximeter can not meet the requirement of clinical application. There are limitations in the theory of pulse oximetry, which is proved by Monte Carlo method. The mean paths are calculated in the Monte Carlo simulation. The results prove that the mean paths are not the same between the different wavelengths.

  10. Field Theory Simulations on a Fuzzy Sphere - an Alternative to the Lattice

    CERN Document Server

    Medina, J; Hofheinz, F; O'Connor, D; Medina, Julieta; Bietenholz, Wolfgang; Hofheinz, Frank; Connor, Denjoe O'

    2005-01-01

    We explore a new way to simulate quantum field theory, without introducing a spatial lattice. As a pilot study we apply this method to the 3d \\lambda \\phi^4 model. The regularisation consists of a fuzzy sphere with radius R for the two spatial directions, plus a discrete Euclidean time. The fuzzy sphere approximates the algebra of functions of the sphere with a matrix algebra, and the scalar field is represented by a Hermitian N x N matrix at each time site. We evaluate the phase diagram, where we find a disordered phase and an ordered regime, which splits into phases of uniform and non-uniform order. We discuss the behaviour of the model in different limits of large N and R, which lead to a commutative or to a non-commutative \\lambda \\phi^4 model in flat space.

  11. Theory and Simulation Studies of Copolymer Functionalized Nanoparticles in Polymer Nanocomposites

    Science.gov (United States)

    Jayaraman, Arthi; Nair, Nitish; Seifpour, Arezou; Spicer, Philip

    2010-03-01

    Significant interest has grown around the ability to create polymer nanocomposites with controlled spatial arrangement of nanoparticles mediated by a polymer matrix. By functionalizing or grafting polymers on to nanoparticle surfaces and systematically tuning the composition, chemistry, molecular weight and grafting density of the functionalized polymers we can tailor the inter-particle interactions and precisely control the assembly/dispersion of the particles in the polymer matrix. While prior experimental and theoretical work in this area has mostly been on homopolymer grafted particles at high brush-like grafting densities, we study copolymer grafted nanoparticles at low grafting densities in a homopolymer matrix. Using an integrated approach involving Polymer Reference Interaction Site Model (PRISM) theory and Monte Carlo simulations we will present the effect of monomer sequence and molecular weight of the grafted copolymer, compatibility of the graft and matrix polymers, and nanoparticle size on the conformations of the grafted polymers, and the effective interactions between the grafted nanoparticles in the matrix.

  12. 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.

  13. SU(2) chiral perturbation theory low-energy constants from staggered 2+1 flavor simulations

    CERN Document Server

    Scholz, Enno E; Durr, Stephan; Fodor, Zoltan; Katz, Sandor D; Krieg, Stefan; Schafer, Andreas; Szabo, Kalman K

    2011-01-01

    We measure the pion mass and decay constant on ensembles generated by the Wuppertal-Budapest Collaboration, and extract the NLO low-energy constants l_3 and l_4 of SU(2) chiral perturbation theory. The data are generated in 2+1 flavor simulations with Symanzik glue and 2-fold stout-smeared staggered fermions, with pion masses varying from 135 MeV to 400 MeV, lattice scales between 0.7 GeV and 2.0 GeV, and m_s kept at its physical value. Furthermore, by excluding the lightest mass points, we are able to test the reliability of SU(2) chPT as a tool to extrapolate towards the physical point from higher pion masses.

  14. Structures in galaxies: nature versus nurture. Input from theory and simulations

    CERN Document Server

    Athanassoula, E

    2009-01-01

    Galaxies, in particular disc galaxies, contain a number of structures and substructures with well defined morphological, photometric and kinematic properties. Considerable theoretical effort has been put into explaining their formation and evolution, both analytically and with numerical simulations. In some theories, structures form during the natural evolution of the galaxy, i.e. they are a result of nature. For others, it is the interaction with other galaxies, or with the intergalactic medium -- i.e. nurture -- that accounts for a structure. Either way, the existence and properties of these structures reveal important information on the underlying potential of the galaxy, i.e. on the amount and distribution of matter -- including the dark matter -- in it, and on the evolutionary history of the galaxy. Here, I will briefly review the various formation scenarios and the respective role of nature and nurture in the formation, evolution and properties of the main structures and substructures.

  15. Time-dependent density functional theory quantum transport simulation in non-orthogonal basis.

    Science.gov (United States)

    Kwok, Yan Ho; Xie, Hang; Yam, Chi Yung; Zheng, Xiao; Chen, Guan Hua

    2013-12-14

    Basing on the earlier works on the hierarchical equations of motion for quantum transport, we present in this paper a first principles scheme for time-dependent quantum transport by combining time-dependent density functional theory (TDDFT) and Keldysh's non-equilibrium Green's function formalism. This scheme is beyond the wide band limit approximation and is directly applicable to the case of non-orthogonal basis without the need of basis transformation. The overlap between the basis in the lead and the device region is treated properly by including it in the self-energy and it can be shown that this approach is equivalent to a lead-device orthogonalization. This scheme has been implemented at both TDDFT and density functional tight-binding level. Simulation results are presented to demonstrate our method and comparison with wide band limit approximation is made. Finally, the sparsity of the matrices and computational complexity of this method are analyzed.

  16. Dispersion of swimming algae in laminar and turbulent channel flows: theory and simulations

    CERN Document Server

    Croze, O A; Ahmed, M; Bees, M A; Brandt, L

    2012-01-01

    Algal swimming is often biased by environmental cues, e.g. gravitational and viscous torques drive cells towards downwelling fluid (gyrotaxis). In view of biotechnological applications, it is important to understand how such biased swimming affects cell dispersion in a flow. Here, we study the dispersion of gyrotactic swimming algae in laminar and turbulent channel flows. By direct numerical simulation (DNS) of cell motion within upwelling and downwelling channel flows, we evaluate time-dependent measures of dispersion for increasing values of the flow Peclet (Reynolds) numbers, Pe (Re). Furthermore, we derive an analytical `swimming Taylor-Aris dispersion' theory, using flow-dependent transport parameters given by existing microscopic models. In the laminar regime, DNS results and analytical predictions compare very well, providing the first confirmation that cells' response to flow is best described by the generalized-Taylor-dispersion microscopic model. We predict that cells drift along a channel faster th...

  17. Pseudo-classical transport in a sheared magnetic field: Theory and simulation

    Energy Technology Data Exchange (ETDEWEB)

    Nevins, W.M.; Harte, J.; Gell, Y.

    1979-11-01

    The cross-field transport due to the trapping of electrons in a finite amplitude wave (pseudo-classical transport) is investigated. Both finite wave frequencies and magnetic shear are included. The single particle orbit equations are solved to obtain the trapping criterion as well as the trapped particle orbit width and bounce frequency. Using a random walk model, the scaling of the pseudo-classical transport coefficients with the parameters of the plasma and wave are deduced. This scaling is employed to extend a previous calculation of the transport coefficients to include magnetic shear which is found to reduce these transport coefficients. Computer simulations of this transport process are presented. The measured transport rates are in very good agreement with the previous kinetic calculation in the absence of magnetic shear and with this extension of pseudo-classical transport theory which includes magnetic shear.

  18. Barrier inhomogeneities and interface states of metal/4H-SiC Schottky contacts

    Science.gov (United States)

    Huang, Lingqin; Geiod, Rechard; Wang, Dejun

    2016-12-01

    The barrier and interface states of Ti, Mo, Ni, and Pt contacts to 4H-SiC were investigated. It is found that the barrier heights for all the contacts are Gaussianly distributed and the barrier inhomogeneity varies with the contact metal type. However, the energy-averaged interface states density in the band gap is metal-insensitive. When considering Gaussian distribution, the interface states density extracted from the electrical properties is consistent with the average density of Gaussianly distributed 4H-SiC surface states, indicating that the barrier inhomogeneities at metal/SiC contacts mainly originate from the spatial variation of surface states on SiC surface. The barrier height and barrier inhomogeneity could be modulated by the contact metal, obeying the barrier height theory of Cowley and Sze.

  19. Intrinsic inhomogeneities and the coexistence of spirals with different periods of rotation.

    Science.gov (United States)

    Tranquillo, Joseph; Howes, Meghan

    2008-11-01

    We propose a mechanism by which wave fronts emanating from a spiral may break far from the spiral core due to intrinsic spatial inhomogeneities. A series of computer simulations are presented to demonstrate how coupling domains, which on their own would not cause breakup, may cause a single spiral to break into many spirals.

  20. Drying and wetting transitions of a Lennard-Jones fluid: Simulations and density functional theory

    Science.gov (United States)

    Evans, Robert; Stewart, Maria C.; Wilding, Nigel B.

    2017-07-01

    We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on whether the wall-fluid attraction has a long ranged (LR) power law decay or is instead truncated, rendering it short ranged (SR). Using grand canonical Monte Carlo simulation and classical density functional theory, we examine both cases in detail. We find that for the LR case wetting is first order, while drying is continuous (critical) and occurs exactly at zero attractive wall strength, i.e., in the limit of a hard wall. In the SR case, drying is also critical but the order of the wetting transition depends on the truncation range of the wall-fluid potential. We characterize the approach to critical drying and wetting in terms of the density and local compressibility profiles and via the finite-size scaling properties of the probability distribution of the overall density. For the LR case, where the drying point is known exactly, this analysis allows us to estimate the exponent ν∥, which controls the parallel correlation length, i.e., the extent of vapor bubbles at the wall. Surprisingly, the value we obtain is over twice that predicted by mean field and renormalization group calculations, despite the fact that our three dimensional system is at the upper critical dimension where mean field theory for critical exponents is expected to hold. Possible reasons for this discrepancy are discussed in the light of fresh insights into the nature of near critical finite-size effects.