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Sample records for 3-state potts model

  1. Testing Conformal Theory:. 3-STATE Potts

    NASA Astrophysics Data System (ADS)

    Barkema, G. T.; McCabe, J.; Wydro, T.

    2001-04-01

    Conformal theory predictions and Monte Carlo measurements of structure constants in 3-state Potts model were reviewed. The results provide a direct confirmation of the quality of conformal theory predictions of universal 3-point amplitudes. The prediction of these type of universal amplitudes sparked much of the original interest in conformal models, but are almost untested outside of the Ising model. Structure constants, C123, are universal amplitudes that define 3-point correlations, i.e., <∫1(X1)∫2(X2) ∫3(X3)+> = C123/ |X12|2(Δ1+Δ2-Δ3)·× cyclic perms. To predict the values of these universal numbers, one constructs a 4-point correlation as a sum of products of conformal blocks and then, determines coefficients that weight the sum by demanding that the 4-point correlation satisfy a bootstrap equation. The bootstrap equation imposes consistency of the 4-point correlation with operator product expansions in multiple channels. The 3-state Potts model was chosen, because this model is easy of simulate. But, this Potts model has an added complication, i.e., a discrete Z3 symmetry at criticality. The discrete symmetry had to be implemented to calculate structure constants. Conformal theory predicted that Cσσσ = 1.092 and Cɛσσ* = 0.546. Monte Carlo simulations were performed on 500 × 500 lattices on which sample configurations were generated by the cluster algorithm of Wolff. To obtain the structure constants both 2-point and 3-point correlations were measured. The 2-point correlations fixed non-universal normalizatons. The quality of the Monte-Carlo methods were tested by measuring structure constants of the Ising model-good agreement with known results was found. For 3-state Potts, the simulations found that Cσσσ = 1.116 ± 0.14 and Cɛσσ* = 0.61 ± 0.06. These results provide striking agreement with predictions and a confirmation of conformal field theory.

  2. Potts-model critical manifolds revisited

    NASA Astrophysics Data System (ADS)

    Scullard, Christian R.; Lykke Jacobsen, Jesper

    2016-03-01

    We compute critical polynomials for the q-state Potts model on the Archimedean lattices, using a parallel implementation of the algorithm of Jacobsen (2014 J. Phys. A: Math. Theor 47 135001) that gives us access to larger sizes than previously possible. The exact polynomials are computed for bases of size 6 × 6 unit cells, and the root in the temperature variable v={{{e}}}K-1 is determined numerically at q = 1 for bases of size 8 × 8. This leads to improved results for bond percolation thresholds, and for the Potts-model critical manifolds in the real (q, v) plane. In the two most favourable cases, we find now the kagome-lattice threshold to eleven digits and that of the (3,{12}2) lattice to thirteen. Our critical manifolds reveal many interesting features in the antiferromagnetic region of the Potts model, and determine accurately the extent of the Berker-Kadanoff phase for the lattices studied.

  3. Dynamic exponents for potts model cluster algorithms

    NASA Astrophysics Data System (ADS)

    Coddington, Paul D.; Baillie, Clive F.

    We have studied the Swendsen-Wang and Wolff cluster update algorithms for the Ising model in 2, 3 and 4 dimensions. The data indicate simple relations between the specific heat and the Wolff autocorrelations, and between the magnetization and the Swendsen-Wang autocorrelations. This implies that the dynamic critical exponents are related to the static exponents of the Ising model. We also investigate the possibility of similar relationships for the Q-state Potts model.

  4. Cellular Potts Models of Fruit Fly Embryogenesis

    NASA Astrophysics Data System (ADS)

    Rohner, Jason; Hutson, Shane

    2006-11-01

    Biologists have extensively studied embryonic development in the fruit fly (Drosophila melangaster) as a model for morphogenesis. Our overall goal is to understand how the cellular rearrangements of morphogenesis are caused by the underlying forces between cells. To that end, we are developing means to replicate fruit fly embryogenesis (from cellular differentiation to dorsal closure) using cellular Potts models. Cells are described as collections of like ``spins''; and spin-spin interaction energies are used to describe the forces along cell boundaries. Using a four state (spin-type) model (three tissue types and the surrounding media) we have reproduced cell sorting as well as engulfment of a surface grouping of tissue. Cell sorting can be accomplished using only the spin-spin interaction energies with the volume components being used only for cell size management. We are currently attempting to replicate the experimentally determined geometry and dynamics of dorsal closure. This modeling will take advantage of software tools developed at Notre Dame for looking at cellular Potts models and packaged as CompuCell3D.

  5. Potts-model grain growth simulations: Parallel algorithms and applications

    SciTech Connect

    Wright, S.A.; Plimpton, S.J.; Swiler, T.P.

    1997-08-01

    Microstructural morphology and grain boundary properties often control the service properties of engineered materials. This report uses the Potts-model to simulate the development of microstructures in realistic materials. Three areas of microstructural morphology simulations were studied. They include the development of massively parallel algorithms for Potts-model grain grow simulations, modeling of mass transport via diffusion in these simulated microstructures, and the development of a gradient-dependent Hamiltonian to simulate columnar grain growth. Potts grain growth models for massively parallel supercomputers were developed for the conventional Potts-model in both two and three dimensions. Simulations using these parallel codes showed self similar grain growth and no finite size effects for previously unapproachable large scale problems. In addition, new enhancements to the conventional Metropolis algorithm used in the Potts-model were developed to accelerate the calculations. These techniques enable both the sequential and parallel algorithms to run faster and use essentially an infinite number of grain orientation values to avoid non-physical grain coalescence events. Mass transport phenomena in polycrystalline materials were studied in two dimensions using numerical diffusion techniques on microstructures generated using the Potts-model. The results of the mass transport modeling showed excellent quantitative agreement with one dimensional diffusion problems, however the results also suggest that transient multi-dimension diffusion effects cannot be parameterized as the product of the grain boundary diffusion coefficient and the grain boundary width. Instead, both properties are required. Gradient-dependent grain growth mechanisms were included in the Potts-model by adding an extra term to the Hamiltonian. Under normal grain growth, the primary driving term is the curvature of the grain boundary, which is included in the standard Potts-model Hamiltonian.

  6. Diffusion and Advection using Cellular Potts Model

    NASA Astrophysics Data System (ADS)

    Dan, Debasis; Glazier, James

    2005-03-01

    The Cellular Potts Model (CPM) is a robust cell level methodology for simulation of biological tissues and morphogenesis. Standard diffusion solvers in the CPM use finite difference methods on the underlying CPM lattice. These methods have difficulty in simulating local advection in the ECM due to physiology and morphogenesis. To circumvent the problem of instabilities we simulate advection-diffusion within the framework of CPM using off-lattice finite-difference methods. We define a set of generalised fluid "cells" or particles which separate advection and diffusion from the lattice. Diffusion occurs between neighboring fluid cells by local averaging rules which approximate the Laplacian. CPM movement of the cells by spin flips handles the advection. The extension allows the CPM to model viscosity explicitly by including a relative velocity constraint on the fluid. The extended CPM correctly reproduces flow profiles of viscous fluids in cylindrical tube, during Stokes flow across a sphere and in flow in concentric cylindrical shells. We illustrate various conditions for diffusion including multiple instantaneous sources, continuous sources, moving sources and different boundary geometries and conditions to validate our approximation by comparing with analytical and established numerical solutions.

  7. Free energies of the Potts model on a Cayley tree

    NASA Astrophysics Data System (ADS)

    Rozikov, U. A.; Rakhmatullaev, M. M.

    2017-01-01

    For the Potts model on the Cayley tree, we obtain some explicit formulas for the free energies and entropies in the case of vector-valued boundary conditions. These formulas include translation-invariant, periodic, and Dobrushin-like boundary conditions and also those corresponding to weakly periodic Gibbs measures.

  8. Potts models coupled to two-dimensional quantum gravity

    NASA Astrophysics Data System (ADS)

    Baillie, Clive F.

    We perform Monte Carlo simulations using the Wolff cluster algorithm of the q=2 (Ising), 3 and 4 Potts models on dynamical phi-cubed graphs of spherical topology with up to 5000 nodes. We find that the measured critical exponents are in reasonable agreement with those from the exact solution of the Ising model and with those calculated from KPZ scaling for q=3,4 where no exact solution is available.

  9. The Potts model on a Bethe lattice with nonmagnetic impurities

    SciTech Connect

    Semkin, S. V. Smagin, V. P.

    2015-10-15

    We have obtained a solution for the Potts model on a Bethe lattice with mobile nonmagnetic impurities. A method is proposed for constructing a “pseudochaotic” impurity distribution by a vanishing correlation in the arrangement of impurity atoms for the nearest sites. For a pseudochaotic impurity distribution, we obtained the phase-transition temperature, magnetization, and spontaneous magnetization jumps at the phase-transition temperature.

  10. Multiple Potts models coupled to two-dimensional quantum gravity

    NASA Astrophysics Data System (ADS)

    Baillie, C. F.; Johnston, D. A.

    1992-07-01

    We perform Monte Carlo simulations using the Wolff cluster algorithm of multiple q=2, 3, 4 state Potts models on dynamical phi-cubed graphs of spherical topology in order to investigate the c>1 region of two-dimensional quantum gravity. Contrary to naive expectation we find no obvious signs of pathological behaviour for c>1. We discuss the results in the light of suggestions that have been made for a modified DDK ansatz for c>1.

  11. Dynamical behavior of the Niedermayer algorithm applied to Potts models

    NASA Astrophysics Data System (ADS)

    Girardi, D.; Penna, T. J. P.; Branco, N. S.

    2012-08-01

    In this work, we make a numerical study of the dynamic universality class of the Niedermayer algorithm applied to the two-dimensional Potts model with 2, 3, and 4 states. This algorithm updates clusters of spins and has a free parameter, E0, which controls the size of these clusters, such that E0=1 is the Metropolis algorithm and E0=0 regains the Wolff algorithm, for the Potts model. For -10, spins in different states may be added to the cluster but the dynamic behavior is less efficient than for the Wolff algorithm (E0=0). Therefore, our results show that the Wolff algorithm is the best choice for Potts models, when compared to the Niedermayer's generalization.

  12. Yang-Lee zeros of the two- and three-state Potts model defined on phi3 Feynman diagrams.

    PubMed

    de Albuquerque, Luiz C; Dalmazi, D

    2003-06-01

    We present both analytical and numerical results on the position of partition function zeros on the complex magnetic field plane of the q=2 state (Ising) and the q=3 state Potts model defined on phi(3) Feynman diagrams (thin random graphs). Our analytic results are based on the ideas of destructive interference of coexisting phases and low temperature expansions. For the case of the Ising model, an argument based on a symmetry of the saddle point equations leads us to a nonperturbative proof that the Yang-Lee zeros are located on the unit circle, although no circle theorem is known in this case of random graphs. For the q=3 state Potts model, our perturbative results indicate that the Yang-Lee zeros lie outside the unit circle. Both analytic results are confirmed by finite lattice numerical calculations.

  13. Study of contact angle hysteresis using the Cellular Potts Model.

    PubMed

    Mortazavi, Vahid; D'Souza, Roshan M; Nosonovsky, Michael

    2013-02-28

    We use the Cellular Potts Model (CPM) to study the contact angle (CA) hysteresis in multiphase (solid-liquid-vapour) systems. We simulate a droplet over the tilted patterned surface, and a bubble placed under the surface immersed in liquid. The difference between bubbles and droplets was discussed through their CA hysteresis. Dependency of CA hysteresis on the surface structure and other parameters was also investigated. This analysis allows decoupling of the 1D (pinning of the triple line) and 2D (adhesion hysteresis in the contact area) effects and provides new insight into the nature of CA hysteresis.

  14. Critical Interfaces in the Random-Bond Potts Model

    NASA Astrophysics Data System (ADS)

    Jacobsen, Jesper L.; Le Doussal, Pierre; Picco, Marco; Santachiara, Raoul; Wiese, Kay Jörg

    2009-02-01

    We study geometrical properties of interfaces in the random-temperature q-states Potts model as an example of a conformal field theory weakly perturbed by quenched disorder. Using conformal perturbation theory in q-2 we compute the fractal dimension of Fortuin-Kasteleyn (FK) domain walls. We also compute it numerically both via the Wolff cluster algorithm for q=3 and via transfer-matrix evaluations. We also obtain numerical results for the fractal dimension of spin clusters interfaces for q=3. These are found numerically consistent with the duality κspinκFK=16 as expressed in putative SLE parameters.

  15. Critical interfaces in the random-bond Potts model.

    PubMed

    Jacobsen, Jesper L; Le Doussal, Pierre; Picco, Marco; Santachiara, Raoul; Wiese, Kay Jörg

    2009-02-20

    We study geometrical properties of interfaces in the random-temperature q-states Potts model as an example of a conformal field theory weakly perturbed by quenched disorder. Using conformal perturbation theory in q-2 we compute the fractal dimension of Fortuin-Kasteleyn (FK) domain walls. We also compute it numerically both via the Wolff cluster algorithm for q=3 and via transfer-matrix evaluations. We also obtain numerical results for the fractal dimension of spin clusters interfaces for q=3. These are found numerically consistent with the duality kappaspinkappaFK=16 as expressed in putative SLE parameters.

  16. A hybrid parallel framework for the cellular Potts model simulations

    SciTech Connect

    Jiang, Yi; He, Kejing; Dong, Shoubin

    2009-01-01

    The Cellular Potts Model (CPM) has been widely used for biological simulations. However, most current implementations are either sequential or approximated, which can't be used for large scale complex 3D simulation. In this paper we present a hybrid parallel framework for CPM simulations. The time-consuming POE solving, cell division, and cell reaction operation are distributed to clusters using the Message Passing Interface (MPI). The Monte Carlo lattice update is parallelized on shared-memory SMP system using OpenMP. Because the Monte Carlo lattice update is much faster than the POE solving and SMP systems are more and more common, this hybrid approach achieves good performance and high accuracy at the same time. Based on the parallel Cellular Potts Model, we studied the avascular tumor growth using a multiscale model. The application and performance analysis show that the hybrid parallel framework is quite efficient. The hybrid parallel CPM can be used for the large scale simulation ({approx}10{sup 8} sites) of complex collective behavior of numerous cells ({approx}10{sup 6}).

  17. Anisotropic exchange-interaction model: From the Potts model to the exchange-interaction model

    NASA Astrophysics Data System (ADS)

    King, T. C.; Chen, H. H.

    1995-04-01

    A spin model called the anisotropic exchange-interaction model is proposed. The Potts model, the exchange-interaction model, and the spin-1/2 anisotropic Heisenberg model are special cases of the proposed model. Thermodynamic properties of the model on the bcc and the fcc lattices are determined by the constant-coupling approximation.

  18. An efficient Cellular Potts Model algorithm that forbids cell fragmentation

    NASA Astrophysics Data System (ADS)

    Durand, Marc; Guesnet, Etienne

    2016-11-01

    The Cellular Potts Model (CPM) is a lattice based modeling technique which is widely used for simulating cellular patterns such as foams or biological tissues. Despite its realism and generality, the standard Monte Carlo algorithm used in the scientific literature to evolve this model preserves connectivity of cells on a limited range of simulation temperature only. We present a new algorithm in which cell fragmentation is forbidden for all simulation temperatures. This allows to significantly enhance realism of the simulated patterns. It also increases the computational efficiency compared with the standard CPM algorithm even at same simulation temperature, thanks to the time spared in not doing unrealistic moves. Moreover, our algorithm restores the detailed balance equation, ensuring that the long-term stage is independent of the chosen acceptance rate and chosen path in the temperature space.

  19. Potts-model formulation of the random resistor network

    NASA Astrophysics Data System (ADS)

    Harris, A. B.; Lubensky, T. C.

    1987-05-01

    The randomly diluted resistor network is formulated in terms of an n-replicated s-state Potts model with a spin-spin coupling constant J in the limit when first n, then s, and finally 1/J go to zero. This limit is discussed and to leading order in 1/J the generalized susceptibility is shown to reproduce the results of the accompanying paper where the resistor network is treated using the xy model. This Potts Hamiltonian is converted into a field theory by the usual Hubbard-Stratonovich transformation and thereby a renormalization-group treatment is developed to obtain the corrections to the critical exponents to first order in ɛ=6-d, where d is the spatial dimensionality. The recursion relations are shown to be the same as for the xy model. Their detailed analysis (given in the accompanying paper) gives the resistance crossover exponent as φ1=1+ɛ/42, and determines the critical exponent, t for the conductivity of the randomly diluted resistor network at concentrations, p, just above the percolation threshold: t=(d-2)ν+φ1, where ν is the critical exponent for the correlation length at the percolation threshold. These results correct previously accepted results giving φ=1 to all orders in ɛ. The new result for φ1 removes the paradox associated with the numerical result that t>1 for d=2, and also shows that the Alexander-Orbach conjecture, while numerically quite accurate, is not exact, since it disagrees with the ɛ expansion.

  20. The aggregate path coupling method for the Potts model on bipartite graph

    NASA Astrophysics Data System (ADS)

    Hernández, José C.; Kovchegov, Yevgeniy; Otto, Peter T.

    2017-02-01

    In this paper, we derive the large deviation principle for the Potts model on the complete bipartite graph Kn,n as n increases to infinity. Next, for the Potts model on Kn,n, we provide an extension of the method of aggregate path coupling that was originally developed in the work of Kovchegov, Otto, and Titus [J. Stat. Phys. 144(5), 1009-1027 (2011)] for the mean-field Blume-Capel model and in Kovchegov and Otto [J. Stat. Phys. 161(3), 553-576 (2015)] for a general mean-field setting that included the generalized Curie-Weiss-Potts model analyzed in the work of Jahnel et al. [Markov Process. Relat. Fields 20, 601-632 (2014)]. We use the aggregate path coupling method to identify and determine the threshold value βs separating the rapid and slow mixing regimes for the Glauber dynamics of the Potts model on Kn,n.

  1. Multiscale Model of Colorectal Cancer Using the Cellular Potts Framework

    PubMed Central

    Osborne, James M

    2015-01-01

    Colorectal cancer (CRC) is one of the major causes of death in the developed world and forms a canonical example of tumorigenesis. CRC arises from a string of mutations of individual cells in the colorectal crypt, making it particularly suited for multiscale multicellular modeling, where mutations of individual cells can be clearly represented and their effects readily tracked. In this paper, we present a multicellular model of the onset of colorectal cancer, utilizing the cellular Potts model (CPM). We use the model to investigate how, through the modification of their mechanical properties, mutant cells colonize the crypt. Moreover, we study the influence of mutations on the shape of cells in the crypt, suggesting possible cell- and tissue-level indicators for identifying early-stage cancerous crypts. Crucially, we discuss the effect that the motility parameters of the model (key factors in the behavior of the CPM) have on the distribution of cells within a homeostatic crypt, resulting in an optimal parameter regime that accurately reflects biological assumptions. In summary, the key results of this paper are 1) how to couple the CPM with processes occurring on other spatial scales, using the example of the crypt to motivate suitable motility parameters; 2) modeling mutant cells with the CPM; 3) and investigating how mutations influence the shape of cells in the crypt. PMID:26461973

  2. A generalized Potts model for confocal microscopy images

    NASA Astrophysics Data System (ADS)

    Máté, Gabriell; Heermann, Dieter W.

    2015-01-01

    Much as being among the least invasive mainstream imaging technologies in life sciences, the resolution of confocal microscopy is limited. Imaged structures, e.g., chromatin-fiber loops, have diameters around or beyond the diffraction limit, and microscopy images show seemingly random spatial density distributions only. While such images are important because the organization of the chromosomes influences different cell mechanisms, many interesting questions can also be related to the observed patterns. These concern their spatial aspects, the role of randomness, the possibility of modeling these images with a random generative process, the interaction between the densities of adjacent loci, the length-scales of these influences, etc. We answer these questions by implementing a generalization of the Potts model. We show how to estimate the model parameters, test the performance of the estimation process and numerically prove that the obtained values converge to the ground truth. Finally, we generate images with a trained model and show that they compare well to real cell images.

  3. A cellular Potts model of germband retraction and dorsal closure

    NASA Astrophysics Data System (ADS)

    Hutson, M. Shane; Rohner, Jason; Crews, Sarah; McCleery, W. Tyler; Robinson, W. Bradley

    2011-03-01

    Germband retraction and dorsal closure are critical morphogenetic events in fruit fly embryogenesis. Both involve the coordinated reshaping of two epitheloid tissues -- germband (GB) and amnioserosa (AS). The GB is initially curled into a U-shape with the AS between the arms of the U. Retraction leaves the embryo's dorsal surface covered by AS cells which then contract to pull lateral parts of the GB up to cover the dorsal surface. We have simulated these events using a cellular Potts model. The model is 3D with several generalized cell types: a central yolk; a surrounding monolayer of AS and GB cells with epithelial polarization; and an outer vitelline membrane enclosing the cells and a perivitelline fluid. The model also incorporates several critical cell behaviors: polarized apical constriction of AS cells; controlled relaxation of stretched GB cells; and differentiation of GB cells at the GB-AS interface so that these cells then contract a supracellular purse-string and extend filopodia that reach across the AS and zip together the GB's approaching lateral flanks. We will discuss how all of these components are necessary to reproduce normal tissue motions and those observed during laser microsurgery experiments. Supported by NSF Grant IOB-0545679.

  4. Potts models with magnetic field: Arithmetic, geometry, and computation

    NASA Astrophysics Data System (ADS)

    Dasu, Shival; Marcolli, Matilde

    2015-11-01

    We give a sheaf theoretic interpretation of Potts models with external magnetic field, in terms of constructible sheaves and their Euler characteristics. We show that the polynomial countability question for the hypersurfaces defined by the vanishing of the partition function is affected by changes in the magnetic field: elementary examples suffice to see non-polynomially countable cases that become polynomially countable after a perturbation of the magnetic field. The same recursive formula for the Grothendieck classes, under edge-doubling operations, holds as in the case without magnetic field, but the closed formulae for specific examples like banana graphs differ in the presence of magnetic field. We give examples of computation of the Euler characteristic with compact support, for the set of real zeros, and find a similar exponential growth with the size of the graph. This can be viewed as a measure of topological and algorithmic complexity. We also consider the computational complexity question for evaluations of the polynomial, and show both tractable and NP-hard examples, using dynamic programming.

  5. Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts models in selected spatial structures

    NASA Astrophysics Data System (ADS)

    Krawczyk, Małgorzata J.

    2010-05-01

    Topology of the space of periodic ground states in the antiferromagnetic Ising and Potts (3-state) models is analysed in selected spatial structures. The states are treated as graph nodes, connected by one-spin-flip transitions. The spatial structures are the triangular lattice, the Archimedean ( 3,12) lattice and the cubic Laves C15 lattice with the periodic boundary conditions. In most cases the ground states are isolated nodes, but for selected systems we obtain connected graphs. The latter means that the magnetisation can vary in time with zero energy cost. The ground states are classified according to their degree and type of neighbours.

  6. Verification and Validation Strategy for Implementation of Hybrid Potts-Phase Field Hydride Modeling Capability in MBM

    SciTech Connect

    Jason D. Hales; Veena Tikare

    2014-04-01

    The Used Fuel Disposition (UFD) program has initiated a project to develop a hydride formation modeling tool using a hybrid Potts­phase field approach. The Potts model is incorporated in the SPPARKS code from Sandia National Laboratories. The phase field model is provided through MARMOT from Idaho National Laboratory.

  7. a Numerical Test of Kpz Scaling:. Potts Models Coupled to Two-Dimensional Quantum Gravity

    NASA Astrophysics Data System (ADS)

    Baillie, C. F.; Johnston, D. A.

    We perform Monte-Carlo simulations using the Wolff cluster algorithm of the q=2 (Ising), 3, 4 and q=10 Potts models on dynamical phi-cubed graphs of spherical topology with up to 5000 nodes. We find that the measured critical exponents are in reasonable agreement with those from the exact solution of the Ising model and with those calculated from KPZ scaling for q=3, 4 where no exact solution is available. Using Binder’s cumulant we find that the q=10 Potts model displays a first order phase transition on a dynamical graph, as it does on a fixed lattice. We also examine the internal geometry of the graphs generated in the simulation, finding a linear relationship between ring length probabilities and the central charge of the Potts model.

  8. Cyclic period-3 window in antiferromagnetic potts and Ising models on recursive lattices

    NASA Astrophysics Data System (ADS)

    Ananikian, N. S.; Ananikyan, L. N.; Chakhmakhchyan, L. A.

    2011-09-01

    The magnetic properties of the antiferromagnetic Potts model with two-site interaction and the antiferromagnetic Ising model with three-site interaction on recursive lattices have been studied. A cyclic period-3 window has been revealed by the recurrence relation method in the antiferromagnetic Q-state Potts model on the Bethe lattice (at Q < 2) and in the antiferromagnetic Ising model with three-site interaction on the Husimi cactus. The Lyapunov exponents have been calculated, modulated phases and a chaotic regime in the cyclic period-3 window have been found for one-dimensional rational mappings determined the properties of these systems.

  9. Super-Potts glass: A disordered model for glass-forming liquids

    NASA Astrophysics Data System (ADS)

    Angelini, Maria Chiara; Biroli, Giulio

    2014-12-01

    We introduce a disordered system, the super-Potts model, which is a more frustrated version of the Potts glass. Its elementary degrees of freedom are variables that can take M values and are coupled via pairwise interactions. Its exact solution on a completely connected lattice demonstrates that, for large enough M , it belongs to the class of mean-field systems solved by a one-step replica symmetry breaking ansatz. Numerical simulations by the parallel tempering technique show that in three dimensions it displays a phenomenological behavior similar to the one of glass-forming liquids. The super-Potts glass is therefore a disordered model allowing one to perform extensive and detailed studies of the random first-order transition in finite dimensions. We also discuss its behavior for small values of M , which is similar to the one of spin glasses in a field.

  10. A Bayesian non-parametric Potts model with application to pre-surgical FMRI data.

    PubMed

    Johnson, Timothy D; Liu, Zhuqing; Bartsch, Andreas J; Nichols, Thomas E

    2013-08-01

    The Potts model has enjoyed much success as a prior model for image segmentation. Given the individual classes in the model, the data are typically modeled as Gaussian random variates or as random variates from some other parametric distribution. In this article, we present a non-parametric Potts model and apply it to a functional magnetic resonance imaging study for the pre-surgical assessment of peritumoral brain activation. In our model, we assume that the Z-score image from a patient can be segmented into activated, deactivated, and null classes, or states. Conditional on the class, or state, the Z-scores are assumed to come from some generic distribution which we model non-parametrically using a mixture of Dirichlet process priors within the Bayesian framework. The posterior distribution of the model parameters is estimated with a Markov chain Monte Carlo algorithm, and Bayesian decision theory is used to make the final classifications. Our Potts prior model includes two parameters, the standard spatial regularization parameter and a parameter that can be interpreted as the a priori probability that each voxel belongs to the null, or background state, conditional on the lack of spatial regularization. We assume that both of these parameters are unknown, and jointly estimate them along with other model parameters. We show through simulation studies that our model performs on par, in terms of posterior expected loss, with parametric Potts models when the parametric model is correctly specified and outperforms parametric models when the parametric model in misspecified.

  11. Translation-invariant and periodic Gibbs measures for the Potts model on a Cayley tree

    NASA Astrophysics Data System (ADS)

    Khakimov, R. M.; Khaydarov, F. Kh.

    2016-11-01

    We study translation-invariant Gibbs measures on a Cayley tree of order k = 3 for the ferromagnetic three-state Potts model. We obtain explicit formulas for translation-invariant Gibbs measures. We also consider periodic Gibbs measures on a Cayley tree of order k for the antiferromagnetic q-state Potts model. Moreover, we improve previously obtained results: we find the exact number of periodic Gibbs measures with the period two on a Cayley tree of order k ≥ 3 that are defined on some invariant sets.

  12. Parallel family trees for transfer matrices in the Potts model

    NASA Astrophysics Data System (ADS)

    Navarro, Cristobal A.; Canfora, Fabrizio; Hitschfeld, Nancy; Navarro, Gonzalo

    2015-02-01

    The computational cost of transfer matrix methods for the Potts model is related to the question in how many ways can two layers of a lattice be connected? Answering the question leads to the generation of a combinatorial set of lattice configurations. This set defines the configuration space of the problem, and the smaller it is, the faster the transfer matrix can be computed. The configuration space of generic (q , v) transfer matrix methods for strips is in the order of the Catalan numbers, which grows asymptotically as O(4m) where m is the width of the strip. Other transfer matrix methods with a smaller configuration space indeed exist but they make assumptions on the temperature, number of spin states, or restrict the structure of the lattice. In this paper we propose a parallel algorithm that uses a sub-Catalan configuration space of O(3m) to build the generic (q , v) transfer matrix in a compressed form. The improvement is achieved by grouping the original set of Catalan configurations into a forest of family trees, in such a way that the solution to the problem is now computed by solving the root node of each family. As a result, the algorithm becomes exponentially faster than the Catalan approach while still highly parallel. The resulting matrix is stored in a compressed form using O(3m ×4m) of space, making numerical evaluation and decompression to be faster than evaluating the matrix in its O(4m ×4m) uncompressed form. Experimental results for different sizes of strip lattices show that the parallel family trees (PFT) strategy indeed runs exponentially faster than the Catalan Parallel Method (CPM), especially when dealing with dense transfer matrices. In terms of parallel performance, we report strong-scaling speedups of up to 5.7 × when running on an 8-core shared memory machine and 28 × for a 32-core cluster. The best balance of speedup and efficiency for the multi-core machine was achieved when using p = 4 processors, while for the cluster

  13. Renormalization-group theory for cooling first-order phase transitions in Potts models

    NASA Astrophysics Data System (ADS)

    Liang, Ning; Zhong, Fan

    2017-03-01

    We develop a dynamic field-theoretic renormalization-group (RG) theory for cooling first-order phase transitions in the Potts model. It is suggested that the well-known imaginary fixed points of the q -state Potts model for q >10 /3 in the RG theory are the origin of the dynamic scaling found recently from numerical simulations, apart from logarithmic corrections. This indicates that the real and imaginary fixed points of the Potts model are both physical and control the scalings of the continuous and discontinuous phase transitions, respectively, of the model. Our one-loop results for the scaling exponents are already not far away from the numerical results. Further, the scaling exponents depend on q only slightly, consistent with the numerical results. Therefore, the theory is believed to provide a natural explanation of the dynamic scaling including the scaling exponents and their scaling laws for various observables in the cooling first-order phase transition of the Potts model.

  14. Joint image reconstruction and segmentation using the Potts model

    NASA Astrophysics Data System (ADS)

    Storath, Martin; Weinmann, Andreas; Frikel, Jürgen; Unser, Michael

    2015-02-01

    We propose a new algorithmic approach to the non-smooth and non-convex Potts problem (also called piecewise-constant Mumford-Shah problem) for inverse imaging problems. We derive a suitable splitting into specific subproblems that can all be solved efficiently. Our method does not require a priori knowledge on the gray levels nor on the number of segments of the reconstruction. Further, it avoids anisotropic artifacts such as geometric staircasing. We demonstrate the suitability of our method for joint image reconstruction and segmentation. We focus on Radon data, where we in particular consider limited data situations. For instance, our method is able to recover all segments of the Shepp-Logan phantom from seven angular views only. We illustrate the practical applicability on a real positron emission tomography dataset. As further applications, we consider spherical Radon data as well as blurred data.

  15. Fluctuation complexity of agent-based financial time series model by stochastic Potts system

    NASA Astrophysics Data System (ADS)

    Hong, Weijia; Wang, Jun

    2015-03-01

    Financial market is a complex evolved dynamic system with high volatilities and noises, and the modeling and analyzing of financial time series are regarded as the rather challenging tasks in financial research. In this work, by applying the Potts dynamic system, a random agent-based financial time series model is developed in an attempt to uncover the empirical laws in finance, where the Potts model is introduced to imitate the trading interactions among the investing agents. Based on the computer simulation in conjunction with the statistical analysis and the nonlinear analysis, we present numerical research to investigate the fluctuation behaviors of the proposed time series model. Furthermore, in order to get a robust conclusion, we consider the daily returns of Shanghai Composite Index and Shenzhen Component Index, and the comparison analysis of return behaviors between the simulation data and the actual data is exhibited.

  16. Universality of the crossing probability for the Potts model for q=1, 2, 3, 4.

    PubMed

    Vasilyev, Oleg A

    2003-08-01

    The universality of the crossing probability pi(hs) of a system to percolate only in the horizontal direction was investigated numerically by a cluster Monte Carlo algorithm for the q-state Potts model for q=2, 3, 4 and for percolation q=1. We check the percolation through Fortuin-Kasteleyn clusters near the critical point on the square lattice by using representation of the Potts model as the correlated site-bond percolation model. It was shown that probability of a system to percolate only in the horizontal direction pi(hs) has the universal form pi(hs)=A(q)Q(z) for q=1,2,3,4 as a function of the scaling variable z=[b(q)L(1/nu(q))[p-p(c)(q,L)

  17. Computational energetic model of morphogenesis based on multi-agent Cellular Potts Model.

    PubMed

    Tripodi, Sébastien; Ballet, Pascal; Rodin, Vincent

    2010-01-01

    The Cellular Potts Model (CPM) is a cellular automaton (CA), developed by Glazier and Graner in 1992, to model the morphogenesis. In this model, the entities are the cells. It has already been improved in many ways; however, a key point in biological systems, not defined in CPM, is energetic exchange between entities. We integrate this energetic concept inside the CPM. We simulate a cell differentiation inside a growing cell tissue. The results are the emergence of dynamic patterns coming from the consumption and production of energy. A model described by CA is less scalable than one described by a multi-agent system (MAS). We have developed a MAS based on the CPM, where a cell agent is implemented from the cell of CPM together with several behaviours, in particular the consumption and production of energy from the consumption of molecules.

  18. The Replica Symmetric Solution for Potts Models on d-Regular Graphs

    NASA Astrophysics Data System (ADS)

    Dembo, Amir; Montanari, Andrea; Sly, Allan; Sun, Nike

    2014-04-01

    We establish an explicit formula for the limiting free energy density (log-partition function divided by the number of vertices) for ferromagnetic Potts models on uniformly sparse graph sequences converging locally to the d-regular tree for d even, covering all temperature regimes. This formula coincides with the Bethe free energy functional evaluated at a suitable fixed point of the belief propagation recursion on the d-regular tree, the so-called replica symmetric solution. For uniformly random d-regular graphs we further show that the replica symmetric Bethe formula is an upper bound for the asymptotic free energy for any model with permissive interactions.

  19. Shaken, but not stirred—Potts model coupled to quantum gravity

    NASA Astrophysics Data System (ADS)

    Ambjørn, J. A.; Anagnostopoulos, K. N.; Loll, R.; Pushkina, I.

    2009-01-01

    We investigate the critical behaviour of both matter and geometry of the three-state Potts model coupled to two-dimensional Lorentzian quantum gravity in the framework of causal dynamical triangulations. Contrary to what general arguments on the effects of disorder suggest, we find strong numerical evidence that the critical exponents of the matter are not changed under the influence of quantum fluctuations in the geometry, compared to their values on fixed, regular lattices. This lends further support to previous findings that quantum gravity models based on causal dynamical triangulations are in many ways better behaved than their Euclidean counterparts.

  20. Antiferromagnetic Potts Model on the Erdős-Rényi Random Graph

    NASA Astrophysics Data System (ADS)

    Contucci, Pierluigi; Dommers, Sander; Giardinà, Cristian; Starr, Shannon

    2013-10-01

    We study the antiferromagnetic Potts model on the Poissonian Erdős-Rényi random graph. By identifying a suitable interpolation structure and an extended variational principle, together with a positive temperature second-moment analysis we prove the existence of a phase transition at a positive critical temperature. Upper and lower bounds on the temperature critical value are obtained from the stability analysis of the replica symmetric solution (recovered in the framework of Derrida-Ruelle probability cascades) and from an entropy positivity argument.

  1. Solving the advection-diffusion equations in biological contexts using the cellular Potts model

    NASA Astrophysics Data System (ADS)

    Dan, Debasis; Mueller, Chris; Chen, Kun; Glazier, James A.

    2005-10-01

    The cellular Potts model (CPM) is a robust, cell-level methodology for simulation of biological tissues and morphogenesis. Both tissue physiology and morphogenesis depend on diffusion of chemical morphogens in the extra-cellular fluid or matrix (ECM). Standard diffusion solvers applied to the cellular potts model use finite difference methods on the underlying CPM lattice. However, these methods produce a diffusing field tied to the underlying lattice, which is inaccurate in many biological situations in which cell or ECM movement causes advection rapid compared to diffusion. Finite difference schemes suffer numerical instabilities solving the resulting advection-diffusion equations. To circumvent these problems we simulate advection diffusion within the framework of the CPM using off-lattice finite-difference methods. We define a set of generalized fluid particles which detach advection and diffusion from the lattice. Diffusion occurs between neighboring fluid particles by local averaging rules which approximate the Laplacian. Directed spin flips in the CPM handle the advective movement of the fluid particles. A constraint on relative velocities in the fluid explicitly accounts for fluid viscosity. We use the CPM to solve various diffusion examples including multiple instantaneous sources, continuous sources, moving sources, and different boundary geometries and conditions to validate our approximation against analytical and established numerical solutions. We also verify the CPM results for Poiseuille flow and Taylor-Aris dispersion.

  2. Thermodynamics and Low-Temperature Spectrum of the Three-State Potts Model

    NASA Astrophysics Data System (ADS)

    Kedem, Rinat

    We use the expression for the eigenvalues of the three state Potts hamiltonian in (1+1)-dimensions in terms of solutions of Bethe ansatz-type equations to characterize the low-lying excitations above the ground state. These are found to be massless quasi-particle excitations which obey generalized fermionic statistics in the sense of momentum exclusion rules. We use this fact to construct a partition function valid in the low temperature, large lattice scaling limit. We show that the partition function computed in this limit, Tto 0, Mtoinfty with the product MT fixed, where M is the length of the spin chain, is equal to the modular invariant partition function of the corresponding conformal field theory (CFT) limit of the model, where the CFT gives the critical dimensions of the model at criticality. Thus the CFT limit describes a system of massless excitations with linear dispersion relations, momentum quantized in units of 2pi/M and generalized-fermionic momentum restrictions. In chapter 2, we consider the scaling limit of the anti-ferromagnetic three-state Potts quantum spin chain. We use the single-particle excitation energies and the "completeness rules" or momentum ranges, which are obtained from the Bethe equations for the eigenvalues, to compute the modular invariant partition function. This provides a fermionic construction for the branching functions of the D _4 representation of {bf Z}_4 parafermions which complements the bosonic constructions. It is found that there are oscillations in some of the correlations and a new connection with the field theory of the Lee-Yang edge is presented. In chapter 3, we construct the thermodynamics of the ferromagnetic and anti-ferromagnetic three-state Potts spin chains. We demonstrate the relation of the infrared momentum restrictions of conformal field theory to entropy considerations of finite temperature thermodynamics for the three-state Potts chain. We compute the free energy and the low temperature specific heat

  3. Coupled Finite Element ? Potts Model Simulations of Grain Growth in Copper Interconnects

    SciTech Connect

    Radhakrishnan, Balasubramaniam; Gorti, Sarma B

    2009-01-01

    The paper addresses grain growth in copper interconnects in the presence of thermal expansion mismatch stresses. The evolution of grain structure and texture in copper in the simultaneous presence of two driving forces, curvature and elastic stored energy difference, is modeled by using a hybrid Potts model simulation approach. The elastic stored energy is calculated by using the commercial finite element code ABAQUS, where the effect of elastic anisotropy on the thermal mismatch stress and strain distribution within a polycrystalline grain structure is modeled through a user material (UMAT) interface. Parametric studies on the effect of trench width and the height of the overburden were carried out. The results show that the grain structure and texture evolution are significantly altered by the presence of elastic strain energy.

  4. High-precision percolation thresholds and Potts-model critical manifolds from graph polynomials

    NASA Astrophysics Data System (ADS)

    >Jesper Lykke Jacobsen,

    2014-04-01

    The critical curves of the q-state Potts model can be determined exactly for regular two-dimensional lattices G that are of the three-terminal type. This comprises the square, triangular, hexagonal and bow-tie lattices. Jacobsen and Scullard have defined a graph polynomial PB(q, v) that gives access to the critical manifold for general lattices. It depends on a finite repeating part of the lattice, called the basis B, and its real roots in the temperature variable v = eK - 1 provide increasingly accurate approximations to the critical manifolds upon increasing the size of B. Using transfer matrix techniques, these authors computed PB(q, v) for large bases (up to 243 edges), obtaining determinations of the ferromagnetic critical point vc > 0 for the (4, 82), kagome, and (3, 122) lattices to a precision (of the order 10-8) slightly superior to that of the best available Monte Carlo simulations. In this paper we describe a more efficient transfer matrix approach to the computation of PB(q, v) that relies on a formulation within the periodic Temperley-Lieb algebra. This makes possible computations for substantially larger bases (up to 882 edges), and the precision on vc is hence taken to the range 10-13. We further show that a large variety of regular lattices can be cast in a form suitable for this approach. This includes all Archimedean lattices, their duals and their medials. For all these lattices we tabulate high-precision estimates of the bond percolation thresholds pc and Potts critical points vc. We also trace and discuss the full Potts critical manifold in the (q, v) plane, paying special attention to the antiferromagnetic region v < 0. Finally, we adapt the technique to site percolation as well, and compute the polynomials PB(p) for certain Archimedean and dual lattices (those having only cubic and quartic vertices), using very large bases (up to 243 vertices). This produces the site percolation thresholds pc to a precision of the order of 10-9.

  5. Modelling wound closure in an epithelial cell sheet using the cellular Potts model.

    PubMed

    Noppe, Adrian R; Roberts, Anthony P; Yap, Alpha S; Gomez, Guillermo A; Neufeld, Zoltan

    2015-10-01

    We use a two-dimensional cellular Potts model to represent the behavior of an epithelial cell layer and describe its dynamics in response to a microscopic wound. Using an energy function to describe properties of the cells, we found that the interaction between contractile tension along cell-cell junctions and cell-cell adhesion plays an important role not only in determining the dynamics and morphology of cells in the monolayer, but also in influencing whether or not a wound in the monolayer will close. Our results suggest that, depending on the balance between cell-cell adhesion and junctional tension, mechanics of the monolayer can either correspond to a hard or a soft regime that determines cell morphology and polygonal organization in the monolayer. Moreover, the presence of a wound in a hard regime, where junctional tension is significant, can lead to two results: (1) wound closure or (2) an initial increase and expansion of the wound area towards an equilibrium value. Theoretical approximations and simulations allowed us to determine the thresholds in the values of cell-cell adhesion and initial wound size that allow the system to lead to wound closure. Overall, our results suggest that around the site of injury, changes in the balance between contraction and adhesion determine whether or not non-monotonous wound closure occurs.

  6. Effects of turbulent mixing on critical behaviour: renormalization-group analysis of the Potts model

    NASA Astrophysics Data System (ADS)

    Antonov, N. V.; Malyshev, A. V.

    2012-06-01

    The critical behaviour of a system, subjected to strongly anisotropic turbulent mixing, is studied by means of the field-theoretic renormalization group. Specifically, the relaxational stochastic dynamics of a non-conserved multicomponent order parameter of the Ashkin-Teller-Potts model, coupled to a random velocity field with prescribed statistics, is considered. The velocity is taken to be Gaussian, white in time, with a correlation function of the form ∝δ(t - t‧)/|k⊥|d - 1 + ξ, where k⊥ is the component of the wave vector, perpendicular to the distinguished direction (‘direction of the flow’)—the d-dimensional generalization of the ensemble was introduced by Avellaneda and Majda (1990 Commun. Math. Phys. 131 381) within the context of passive scalar advection. This model can describe a rich class of physical situations. It is shown that, depending on the values of the parameters that define the self-interaction of the order parameter and the relation between the exponent ξ and the space dimension d, the system exhibits various types of large-scale scaling behaviour, associated with different infrared attractive fixed points of the renormalization-group equations. In addition to known asymptotic regimes (critical dynamics of the Potts model and passively advected field without self-interaction), the existence of a new, non-equilibrium and strongly anisotropic, type of critical behaviour (universality class) is established, and the corresponding critical dimensions are calculated to the leading order of the double expansion in ξ and ɛ = 6 - d (one-loop approximation). The scaling appears to be strongly anisotropic in the sense that the critical dimensions related to the directions parallel and perpendicular to the flow are essentially different.

  7. Phase diagram of a two-dimensional large- Q Potts model in an external field

    NASA Astrophysics Data System (ADS)

    Tsai, Shan-Ho; Landau, D. P.

    2009-04-01

    We use a two-dimensional Wang-Landau sampling algorithm to map out the phase diagram of a Q-state Potts model with Q⩽10 in an external field H that couples to one state. Finite-size scaling analyses show that for large Q the first-order phase transition point at H=0 is in fact a triple point at which three first-order phase transition lines meet. One such line is restricted to H=0; another line has H⩽0. The third line, which starts at the H=0 triple point, ends at a critical point (T,H) which needs to be located in a two-dimensional parameter space. The critical field H(Q) is positive and decreases with decreasing Q, which is in qualitative agreement with previous predictions.

  8. Stable spins in the zero temperature spinodal decomposition of 2D Potts models

    NASA Astrophysics Data System (ADS)

    Derrida, B.; de Oliveira, P. M. C.; Stauffer, D.

    1996-02-01

    We present the results of zero temperature Monte Carlo simulations of the q-state Potts model on a square lattice with either four or eight neighbors, and for the triangular lattice with six neighbors. In agreement with previous works, we observe that the domain growth process gets blocked for the nearest-neighbor square lattice when q is large enough, whereas for the eight neighbor square lattice and for the triangular lattice no blocking is observed. Our simulations indicate that the number of spins which never flipped from the beginning of the simulation up to time t follows a power law as a function of the energy, even in the case of blocking. The exponent of this power law varies from less than {sol1}/{2} for the Ising case (1 q = 2) to 2 for q → ∞ and seems to be universal. The effect of blocking on this exponent is invisible at least up to q = 7.

  9. Transfer matrix computation of critical polynomials for two-dimensional Potts models

    DOE PAGES

    Jacobsen, Jesper Lykke; Scullard, Christian R.

    2013-02-04

    We showed, In our previous work, that critical manifolds of the q-state Potts model can be studied by means of a graph polynomial PB(q, v), henceforth referred to as the critical polynomial. This polynomial may be defined on any periodic two-dimensional lattice. It depends on a finite subgraph B, called the basis, and the manner in which B is tiled to construct the lattice. The real roots v = eK — 1 of PB(q, v) either give the exact critical points for the lattice, or provide approximations that, in principle, can be made arbitrarily accurate by increasing the size ofmore » B in an appropriate way. In earlier work, PB(q, v) was defined by a contraction-deletion identity, similar to that satisfied by the Tutte polynomial. Here, we give a probabilistic definition of PB(q, v), which facilitates its computation, using the transfer matrix, on much larger B than was previously possible.We present results for the critical polynomial on the (4, 82), kagome, and (3, 122) lattices for bases of up to respectively 96, 162, and 243 edges, compared to the limit of 36 edges with contraction-deletion. We discuss in detail the role of the symmetries and the embedding of B. The critical temperatures vc obtained for ferromagnetic (v > 0) Potts models are at least as precise as the best available results from Monte Carlo simulations or series expansions. For instance, with q = 3 we obtain vc(4, 82) = 3.742 489 (4), vc(kagome) = 1.876 459 7 (2), and vc(3, 122) = 5.033 078 49 (4), the precision being comparable or superior to the best simulation results. More generally, we trace the critical manifolds in the real (q, v) plane and discuss the intricate structure of the phase diagram in the antiferromagnetic (v < 0) region.« less

  10. Continuity of the Phase Transition for Planar Random-Cluster and Potts Models with {1 ≤ q ≤ 4}

    NASA Astrophysics Data System (ADS)

    Duminil-Copin, Hugo; Sidoravicius, Vladas; Tassion, Vincent

    2017-01-01

    This article studies the planar Potts model and its random-cluster representation. We show that the phase transition of the nearest-neighbor ferromagnetic q-state Potts model on Z^2 is continuous for {q in {2,3,4}}, in the sense that there exists a unique Gibbs state, or equivalently that there is no ordering for the critical Gibbs states with monochromatic boundary conditions. The proof uses the random-cluster model with cluster-weight {q ≥ 1} (note that q is not necessarily an integer) and is based on two ingredients: The fact that the two-point function for the free state decays sub-exponentially fast for cluster-weights {1≤ q≤ 4}, which is derived studying parafermionic observables on a discrete Riemann surface.

  11. Critical behaviour of the two-dimensional Potts model with a continuous number of states; A finite size scaling analysis

    NASA Astrophysics Data System (ADS)

    Blöte, H. W. J.; Nightingale, M. P.

    1982-06-01

    We investigate the critical behaviour of the two-dimensional, q-state Potts model, using finite-size scaling and transfer matrix methods. For the continuous transition range (0< q⩽4), we present accurate values of the thermal and magnetic exponents. These are in excellent agreement with the conjecture of den Nijs, and that of Nienhuis et al. and Pearson, respectively. Finite size scaling is extended for the description of the first order region ( q>4). For completely finite systems, we recover the power law behaviour describe by discontinuity fixed point exponents; however, for systems that are infinite in one direction, exponential behaviour occurs. This is illustrated numerically by the exponential divergences of the susceptibility and specific heat with increasing system size for q≫4. These results for continuous q were obtained from a transfer matrix constructed for a generalized Whitney polynomial representing the Potts models. An effective algorithm to compute the dominant eigenvalues of this essentially nonsymmetric transfer matrix is developed.

  12. Fraction of uninfected walkers in the one-dimensional Potts model

    NASA Astrophysics Data System (ADS)

    O'Donoghue, S. J.; Bray, A. J.

    2002-05-01

    The dynamics of the one-dimensional q-state Potts model, in the zero-temperature limit, can be formulated through the motion of random walkers which either annihilate (A+A-->∅) or coalesce (A+A-->A) with a q-dependent probability. We consider all of the walkers in this model to be mutually infectious. Whenever two walkers meet, they experience mutual contamination. Walkers which avoid an encounter with another random walker up to time t remain uninfected. The fraction of uninfected walkers is known to obey a power-law decay U(t)~t-φ(q), with a nontrivial exponent φ(q) [C. Monthus, Phys. Rev. E 54, 4844 (1996); S. N. Majumdar and S. J. Cornell, ibid. 57, 3757 (1998)]. We probe the numerical values of φ(q) to a higher degree of accuracy than previous simulations and relate the exponent φ(q) to the persistence exponent θ(q) [B. Derrida, V. Hakim, and V. Pasquier, Phys. Rev. Lett. 75, 751 (1995)], through the relation φ(q)=γ(q)θ(q) where γ is an exponent introduced in [S. J. O'Donoghue and A. J. Bray, preceding paper, Phys. Rev. E 65, XXXX (2002)]. Our study is extended to include the coupled diffusion-limited reaction A+A-->B, B+B-->A in one dimension with equal initial densities of A and B particles. We find that the density of walkers decays in this model as ρ(t)~t-1/2. The fraction of sites unvisited by either an A or a B particle is found to obey a power law, P(t)~t-θ with θ~=1.33. We discuss these exponents within the context of the q-state Potts model and present numerical evidence that the fraction of walkers which remain uninfected decays as U(t)~t-φ, where φ~=1.13 when infection occurs between like particles only, and φ~=1.93 when we also include cross-species contamination. We find that the relation between φ and θ in this model can also be characterized by an exponent γ, where similarly, φ=γθ.

  13. Transfer matrix computation of critical polynomials for two-dimensional Potts models

    SciTech Connect

    Jacobsen, Jesper Lykke; Scullard, Christian R.

    2013-02-04

    We showed, In our previous work, that critical manifolds of the q-state Potts model can be studied by means of a graph polynomial PB(q, v), henceforth referred to as the critical polynomial. This polynomial may be defined on any periodic two-dimensional lattice. It depends on a finite subgraph B, called the basis, and the manner in which B is tiled to construct the lattice. The real roots v = eK — 1 of PB(q, v) either give the exact critical points for the lattice, or provide approximations that, in principle, can be made arbitrarily accurate by increasing the size of B in an appropriate way. In earlier work, PB(q, v) was defined by a contraction-deletion identity, similar to that satisfied by the Tutte polynomial. Here, we give a probabilistic definition of PB(q, v), which facilitates its computation, using the transfer matrix, on much larger B than was previously possible.We present results for the critical polynomial on the (4, 82), kagome, and (3, 122) lattices for bases of up to respectively 96, 162, and 243 edges, compared to the limit of 36 edges with contraction-deletion. We discuss in detail the role of the symmetries and the embedding of B. The critical temperatures vc obtained for ferromagnetic (v > 0) Potts models are at least as precise as the best available results from Monte Carlo simulations or series expansions. For instance, with q = 3 we obtain vc(4, 82) = 3.742 489 (4), vc(kagome) = 1.876 459 7 (2), and vc(3, 122) = 5.033 078 49 (4), the precision being comparable or superior to the best simulation results. More generally, we trace the critical manifolds in the real (q, v) plane and discuss the intricate structure of the phase diagram in the antiferromagnetic (v < 0) region.

  14. PM-PM: PatchMatch with Potts Model for object segmentation and stereo matching.

    PubMed

    Xu, Shibiao; Zhang, Feihu; He, Xiaofei; Shen, Xukun; Zhang, Xiaopeng

    2015-07-01

    This paper presents a unified variational formulation for joint object segmentation and stereo matching, which takes both accuracy and efficiency into account. In our approach, depth-map consists of compact objects, each object is represented through three different aspects: 1) the perimeter in image space; 2) the slanted object depth plane; and 3) the planar bias, which is to add an additional level of detail on top of each object plane in order to model depth variations within an object. Compared with traditional high quality solving methods in low level, we use a convex formulation of the multilabel Potts Model with PatchMatch stereo techniques to generate depth-map at each image in object level and show that accurate multiple view reconstruction can be achieved with our formulation by means of induced homography without discretization or staircasing artifacts. Our model is formulated as an energy minimization that is optimized via a fast primal-dual algorithm, which can handle several hundred object depth segments efficiently. Performance evaluations in the Middlebury benchmark data sets show that our method outperforms the traditional integer-valued disparity strategy as well as the original PatchMatch algorithm and its variants in subpixel accurate disparity estimation. The proposed algorithm is also evaluated and shown to produce consistently good results for various real-world data sets (KITTI benchmark data sets and multiview benchmark data sets).

  15. Improved contact prediction in proteins: Using pseudolikelihoods to infer Potts models

    NASA Astrophysics Data System (ADS)

    Ekeberg, Magnus; Lövkvist, Cecilia; Lan, Yueheng; Weigt, Martin; Aurell, Erik

    2013-01-01

    Spatially proximate amino acids in a protein tend to coevolve. A protein's three-dimensional (3D) structure hence leaves an echo of correlations in the evolutionary record. Reverse engineering 3D structures from such correlations is an open problem in structural biology, pursued with increasing vigor as more and more protein sequences continue to fill the data banks. Within this task lies a statistical inference problem, rooted in the following: correlation between two sites in a protein sequence can arise from firsthand interaction but can also be network-propagated via intermediate sites; observed correlation is not enough to guarantee proximity. To separate direct from indirect interactions is an instance of the general problem of inverse statistical mechanics, where the task is to learn model parameters (fields, couplings) from observables (magnetizations, correlations, samples) in large systems. In the context of protein sequences, the approach has been referred to as direct-coupling analysis. Here we show that the pseudolikelihood method, applied to 21-state Potts models describing the statistical properties of families of evolutionarily related proteins, significantly outperforms existing approaches to the direct-coupling analysis, the latter being based on standard mean-field techniques. This improved performance also relies on a modified score for the coupling strength. The results are verified using known crystal structures of specific sequence instances of various protein families. Code implementing the new method can be found at http://plmdca.csc.kth.se/.

  16. Reexamination of the long-range Potts model: a multicanonical approach.

    PubMed

    Reynal, S; Diep, H T

    2004-02-01

    We investigate the critical behavior of the one-dimensional q-state Potts model with long-range (LR) interactions 1/r(d+sigma), using a multicanonical algorithm. The recursion scheme initially proposed by Berg is improved so as to make it suitable for a large class of LR models with unequally spaced energy levels. The choice of an efficient predictor and a reliable convergence criterion is discussed. We obtain transition temperatures in the first-order regime which are in far better agreement with mean-field predictions than in previous Monte Carlo studies. By relying on the location of spinodal points and resorting to scaling arguments, we determine the threshold value sigma(c)(q) separating the first- and second-order regimes to two-digit precision within the range 3< or =q < or =9. We offer convincing numerical evidence supporting sigma(c)(q)<1.0 for all q, by virtue of an unusual finite-size effect, namely, finite-size scaling predicts a continuous transition in the thermodynamic limit, despite the first-order nature of the transition at finite size. A qualitative account in terms of correlation lengths is provided. Finally, we find the crossover between the LR and short-range regimes to occur inside a narrow window 1.0

  17. Reconstruction of a Real World Social Network using the Potts Model and Loopy Belief Propagation

    PubMed Central

    Bisconti, Cristian; Corallo, Angelo; Fortunato, Laura; Gentile, Antonio A.; Massafra, Andrea; Pellè, Piergiuseppe

    2015-01-01

    The scope of this paper is to test the adoption of a statistical model derived from Condensed Matter Physics, for the reconstruction of the structure of a social network. The inverse Potts model, traditionally applied to recursive observations of quantum states in an ensemble of particles, is here addressed to observations of the members' states in an organization and their (anti)correlations, thus inferring interactions as links among the members. Adopting proper (Bethe) approximations, such an inverse problem is showed to be tractable. Within an operational framework, this network-reconstruction method is tested for a small real-world social network, the Italian parliament. In this study case, it is easy to track statuses of the parliament members, using (co)sponsorships of law proposals as the initial dataset. In previous studies of similar activity-based networks, the graph structure was inferred directly from activity co-occurrences: here we compare our statistical reconstruction with such standard methods, outlining discrepancies and advantages. PMID:26617539

  18. Competitive heterogeneous nucleation onto a microscopic impurity in a Potts model

    NASA Astrophysics Data System (ADS)

    Asuquo, Cletus C.; McArthur, Danielle; Bowles, Richard K.

    2016-08-01

    Many metastable systems can nucleate to multiple competing stable or intermediate metastable states. In this work, a Potts model, subject to external fields, is used to study the competitive nucleation of two phases attempting to grow on a microscopic impurity. Monte Carlo simulations are used to calculate the free energy surfaces for the system under different conditions, where the relative stability of the phases is adjusted by changing the interaction parameters, and the nucleation rates obtained using multicomponent transition state theory (TST) are compared with the rates measured using the survival probability method. We find that the two methods predict similar nucleation rates when the free energy barrier used in the transition state theory is defined as the work required to form a critical embryo from the metastable phase. An analysis of the free energy surfaces also reveals that the competition between the nucleating phases leads to an effective drying of the impurity which slows down the nucleation rate compared to the single phase case.

  19. Dynamic Critical Exponents of Three-Dimensional Ising Models and Two-Dimensional Three-States Potts Models

    NASA Astrophysics Data System (ADS)

    Murase, Yohsuke; Ito, Nobuyasu

    2008-01-01

    Values of dynamic critical exponents are numerically estimated for various models with the nonequilibrium relaxation method to test the dynamic universality hypothesis. The dynamics used here are single-spin update with Metropolis-type transition probabities. The estimated values of nonequilibrium relaxation exponent of magnetization λm (=β/zν) of Ising models on bcc and fcc lattices are estimated to be 0.251(3) and 0.252(3), respectively, which are consistent with the value of the model on simple-cubic lattice, 0.250(2). The dynamic critical exponents of three-states Potts models on square, honeycomb and triangular lattices are also estimated to be 2.193(5), 2.198(4), and 2.199(3), respectively. They are consistent within the error bars. It is also confirmed that Ising models with regularly modulated coupling constants on square lattice have the same dynamic critical exponents with the uniformly ferromagnetic Ising model.

  20. Influence of frustrations on the thermodynamic properties of the low-dimensional Potts model studied by computer simulation

    NASA Astrophysics Data System (ADS)

    Babaev, A. B.; Murtazaev, A. K.; Suleimanov, E. M.; Rizvanova, T. R.

    2016-10-01

    Influence of disorder in the form of frustration on the thermodynamic behavior of a two-dimensional three-vertex Potts model has been studied by the Monte Carlo method, taking into account the nearest and next-nearest neighbors. Systems with linear sizes of L × L = N ( L = 9-48) on a triangular lattice have been considered. It has been shown that in the case of J 1 > 0 and J 2 < 0 frustrations appear in the spin system within the interval of 0.5 ≤ | r| ≤ 1.0. The model undergoes a phase transition outside this region.

  1. Multi-GPU-based Swendsen-Wang multi-cluster algorithm for the simulation of two-dimensional q-state Potts model

    NASA Astrophysics Data System (ADS)

    Komura, Yukihiro; Okabe, Yutaka

    2013-01-01

    We present multiple GPU computing with the common unified device architecture (CUDA) for the Swendsen-Wang multi-cluster algorithm of two-dimensional (2D) q-state Potts model. Extending our algorithm for single GPU computing [Y. Komura, Y. Okabe, GPU-based Swendsen-Wang multi-cluster algorithm for the simulation of two-dimensional classical spin systems, Comput. Phys. Comm. 183 (2012) 1155-1161], we realize the GPU computation of the Swendsen-Wang multi-cluster algorithm for multiple GPUs. We implement our code on the large-scale open science supercomputer TSUBAME 2.0, and test the performance and the scalability of the simulation of the 2D Potts model. The performance on Tesla M2050 using 256 GPUs is obtained as 37.3 spin flips per a nano second for the q=2 Potts model (Ising model) at the critical temperature with the linear system size L=65536.

  2. Exact valence bond entanglement entropy and probability distribution in the XXX spin chain and the potts model.

    PubMed

    Jacobsen, J L; Saleur, H

    2008-02-29

    We determine exactly the probability distribution of the number N_(c) of valence bonds connecting a subsystem of length L>1 to the rest of the system in the ground state of the XXX antiferromagnetic spin chain. This provides, in particular, the asymptotic behavior of the valence-bond entanglement entropy S_(VB)=N_(c)ln2=4ln2/pi(2)lnL disproving a recent conjecture that this should be related with the von Neumann entropy, and thus equal to 1/3lnL. Our results generalize to the Q-state Potts model.

  3. Investigation of the thermodynamic properties and phase transitions in a strongly diluted three-vertex antiferromagnetic Potts model by the Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Murtazaev, A. K.; Babaev, A. B.; Ataeva, G. Ya.

    2017-01-01

    The thermodynamic properties and phase transitions in a two-dimensional strongly diluted threevertex antiferromagnetic Potts model on a triangular lattice have been investigated using the Monte Carlo method. The systems with linear dimensions of L × L = N, where L = 18-48, have been considered. It has been shown using the method of fourth-order Binder cumulants that, upon the introduction of nonmagnetic impurities into the spin system described by the two-dimensional antiferromagnetic Potts model, the firstorder phase transition changes to a second-order phase transition.

  4. Large pseudocounts and L2-norm penalties are necessary for the mean-field inference of Ising and Potts models

    NASA Astrophysics Data System (ADS)

    Barton, J. P.; Cocco, S.; De Leonardis, E.; Monasson, R.

    2014-07-01

    The mean-field (MF) approximation offers a simple, fast way to infer direct interactions between elements in a network of correlated variables, a common, computationally challenging problem with practical applications in fields ranging from physics and biology to the social sciences. However, MF methods achieve their best performance with strong regularization, well beyond Bayesian expectations, an empirical fact that is poorly understood. In this work, we study the influence of pseudocount and L2-norm regularization schemes on the quality of inferred Ising or Potts interaction networks from correlation data within the MF approximation. We argue, based on the analysis of small systems, that the optimal value of the regularization strength remains finite even if the sampling noise tends to zero, in order to correct for systematic biases introduced by the MF approximation. Our claim is corroborated by extensive numerical studies of diverse model systems and by the analytical study of the m-component spin model for large but finite m. Additionally, we find that pseudocount regularization is robust against sampling noise and often outperforms L2-norm regularization, particularly when the underlying network of interactions is strongly heterogeneous. Much better performances are generally obtained for the Ising model than for the Potts model, for which only couplings incoming onto medium-frequency symbols are reliably inferred.

  5. Degenerate ground states and multiple bifurcations in a two-dimensional q-state quantum Potts model.

    PubMed

    Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T; Zhou, Huan-Qiang

    2014-06-01

    We numerically investigate the two-dimensional q-state quantum Potts model on the infinite square lattice by using the infinite projected entangled-pair state (iPEPS) algorithm. We show that the quantum fidelity, defined as an overlap measurement between an arbitrary reference state and the iPEPS ground state of the system, can detect q-fold degenerate ground states for the Z_{q} broken-symmetry phase. Accordingly, a multiple bifurcation of the quantum ground-state fidelity is shown to occur as the transverse magnetic field varies from the symmetry phase to the broken-symmetry phase, which means that a multiple-bifurcation point corresponds to a critical point. A (dis)continuous behavior of quantum fidelity at phase transition points characterizes a (dis)continuous phase transition. Similar to the characteristic behavior of the quantum fidelity, the magnetizations, as order parameters, obtained from the degenerate ground states exhibit multiple bifurcation at critical points. Each order parameter is also explicitly demonstrated to transform under the Z_{q} subgroup of the symmetry group of the Hamiltonian. We find that the q-state quantum Potts model on the square lattice undergoes a discontinuous (first-order) phase transition for q=3 and q=4 and a continuous phase transition for q=2 (the two-dimensional quantum transverse Ising model).

  6. Superstable cycles for antiferromagnetic Q-state Potts and three-site interaction Ising models on recursive lattices

    NASA Astrophysics Data System (ADS)

    Ananikian, N.; Artuso, R.; Chakhmakhchyan, L.

    2014-10-01

    We consider the superstable cycles of the Q-state Potts (QSP) and the three-site interaction antiferromagnetic Ising (TSAI) models on recursive lattices. The rational mappings describing the models’ statistical properties are obtained via the recurrence relation technique. We provide analytical solutions for the superstable cycles of the second order for both models. A particular attention is devoted to the period three window. Here we present an exact result for the third order superstable orbit for the QSP and a numerical solution for the TSAI model. Additionally, we point out a non-trivial connection between bifurcations and superstability: in some regions of parameters a superstable cycle is not followed by a doubling bifurcation. Furthermore, we use symbolic dynamics to understand the changes taking place at points of superstability and to distinguish areas between two consecutive superstable orbits.

  7. Distribution of domain sizes in the zero temperature Glauber dynamics of the one-dimensional Potts model

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard; Zeitak, Reuven

    1996-09-01

    For the zero temperature Glauber dynamics of the q-state Potts model, we calculate the exact distribution of domain sizes by mapping the problem on an exactly soluble one-species coagulation model (A+A-->A). In the long time limit, this distribution is universal and, from its (complicated) exact expression, we extract its behavior in various regimes. Our results are tested in a simulation and compared to the predictions of a simple approximation proposed recently. Considering the dynamics of domain walls as a reaction-diffusion model A+A-->A with probability (q-2)/(q-1) and A+A-->θ with probability 1/(q-1), we calculate the pair correlation function in the long time regime.

  8. Critical frontier of the Potts and percolation models on triangular-type and kagome-type lattices. II. Numerical analysis.

    PubMed

    Ding, Chengxiang; Fu, Zhe; Guo, Wenan; Wu, F Y

    2010-06-01

    In the preceding paper, one of us (F. Y. Wu) considered the Potts model and bond and site percolation on two general classes of two-dimensional lattices, the triangular-type and kagome-type lattices, and obtained closed-form expressions for the critical frontier with applications to various lattice models. For the triangular-type lattices Wu's result is exact, and for the kagome-type lattices Wu's expression is under a homogeneity assumption. The purpose of the present paper is twofold: First, an essential step in Wu's analysis is the derivation of lattice-dependent constants A,B,C for various lattice models, a process which can be tedious. We present here a derivation of these constants for subnet networks using a computer algorithm. Second, by means of a finite-size scaling analysis based on numerical transfer matrix calculations, we deduce critical properties and critical thresholds of various models and assess the accuracy of the homogeneity assumption. Specifically, we analyze the q -state Potts model and the bond percolation on the 3-12 and kagome-type subnet lattices (n×n):(n×n) , n≤4 , for which the exact solution is not known. Our numerical determination of critical properties such as conformal anomaly and magnetic correlation length verifies that the universality principle holds. To calibrate the accuracy of the finite-size procedure, we apply the same numerical analysis to models for which the exact critical frontiers are known. The comparison of numerical and exact results shows that our numerical values are correct within errors of our finite-size analysis, which correspond to 7 or 8 significant digits. This in turn infers that the homogeneity assumption determines critical frontiers with an accuracy of 5 decimal places or higher. Finally, we also obtained the exact percolation thresholds for site percolation on kagome-type subnet lattices (1×1):(n×n) for 1≤n≤6 .

  9. Nucleation in a Potts lattice gas model of crystallization from solution

    NASA Astrophysics Data System (ADS)

    Duff, Nathan; Peters, Baron

    2009-11-01

    Nucleation from solution is important in many pharmaceutical crystallization, biomineralization, material synthesis, and self-assembly processes. Simulation methodology has progressed rapidly for studies of nucleation in pure component and implicit solvent systems; however little progress has been made in the simulation of explicit solvent systems. The impasse stems from the inability of rare events simulation methodology to be combined with simulation techniques which maintain a constant chemical potential driving force (supersaturation) for nucleation. We present a Potts lattice gas (PLG) to aid in the development of new simulation strategies for nucleation from solution. The PLG captures common crystallization phase diagram features such as a eutectic point and solute/solvent melting points. Simulations of the PLG below the bulk solute melting temperature reveal a competition between amorphous and crystalline nuclei. As the temperature is increased toward the bulk melting temperature, the nucleation pathway changes from a one step crystalline nucleation pathway to a two step pathway, where an amorphous nucleus forms and then crystallizes. We explain these results in terms of classical nucleation theory with different size-dependant chemical potentials for the amorphous and crystalline nucleation pathways. The two step pathway may be particularly important when crystallization is favored only at postcritical sizes.

  10. A 3-states magnetic model of binary decisions in sociophysics

    NASA Astrophysics Data System (ADS)

    Fernandez, Miguel A.; Korutcheva, Elka; de la Rubia, F. Javier

    2016-11-01

    We study a diluted Blume-Capel model of 3-states sites as an attempt to understand how some social processes as cooperation or organization happen. For this aim, we study the effect of the complex network topology on the equilibrium properties of the model, by focusing on three different substrates: random graph, Watts-Strogatz and Newman substrates. Our computer simulations are in good agreement with the corresponding analytical results.

  11. Critical behavior of the ferromagnetic q -state Potts model in fractal dimensions: Monte Carlo simulations on Sierpinski and Menger fractal structures

    NASA Astrophysics Data System (ADS)

    Monceau, Pascal

    2006-09-01

    The extension of the phase diagram of the q -state Potts model to noninteger dimension is investigated by means of Monte Carlo simulations on Sierpinski and Menger fractal structures. Both multicanonical and canonical simulations have been carried out with the help of the Wang-Landau and the Wolff cluster algorithms. Lower bounds are provided for the critical values qc of q where a first-order transition is expected in the cases of two structures whose fractal dimension is smaller than 2: The transitions associated with the seven-state and ten-state Potts models on Sierpinski carpets with fractal dimensions df≃1.8928 and df≃1.7925 , respectively, are shown to be second-order ones, the renormalization eigenvalue exponents yh are calculated, and bounds are provided for the renormalization eigenvalue exponents yt and the critical temperatures. Moreover, the results suggest that second-order transitions are expected to occur for very large values of q when the fractal dimension is lowered below 2—that is, in the case of hierarchically weakly connected systems with an infinite ramification order. At last, the transition associated with the four-state Potts model on a fractal structure with a dimension df≃2.631 is shown to be a weakly first-order one.

  12. Spectrum of superintegrable chiral Potts model and L(sl2) symmetry in associated XXZ-type spin chain

    NASA Astrophysics Data System (ADS)

    Nishino, Akinori; Deguchi, Tetsuo

    2006-03-01

    We study the correspondence between the Ising-like spectra of superintegrable N-state chiral Potts (SCP) model [1,2] and the energy degenerate subspaces of XXZ-type spin chain, called nilpotent Bazhanov-Stroganov (NBS) model [3], whose transfer matrix commutes with the SCP transfer matrix. We show that, if the number of sites is a multiple of N, the NBS model has a loop algebra L(sl2) symmetry in the subspace with ZN-charge Q=0. Applying the approach [4] to the case, we obtain the dimension of L(sl2)-degenerate subspaces through the calculation of Drinfeld polynomials. The Drinfeld polynomials are in fact identified with Baxter's polynomials [2] characterizing the SCP's Ising-like spectra, which shows that each subspace with the Ising-like spectra have the same dimension as the corresponding L(sl2)-degenerate subspace of NBS model. [1] G. Albertini, B. M. McCoy, J. H. H. Perk and S. Tang, Nucl. Phys. B 314 (1989) 741. [2] R. J. Baxter, J. Statist. Phys. 57 (1989) 1. [3] V. V. Bazhanov and Yu. G. Stroganov, J. Statist. Phys. 59 (1990) 803. [4] T. Deguchi, cond-mat/0503564.

  13. Nonequilibrium critical relaxation of the order parameter and energy in the two-dimensional ferromagnetic Potts model.

    PubMed

    Nam, Keekwon; Kim, Bongsoo; Lee, Sung Jong

    2008-05-01

    The static and dynamic critical properties of the ferromagnetic q -state Potts models on a square lattice with q=2 and 3 are numerically studied via the nonequilibrium relaxation method. The relaxation behavior of both the order parameter and energy as well as that of the second moments are investigated, from which static and dynamic critical exponents can be obtained. We find that the static exponents thus obtained from the relaxation of the order parameter and energy together with the second moments of the order parameter exhibit a close agreement with the exact exponents, especially for the case of the q=2 (Ising) model, when care is taken in the choice of the initial states for the relaxation of the second moments. As for the case of q=3 , the estimates for the static exponents become less accurate, but still exhibit reasonable agreement with the exactly known static exponents. The dynamic critical exponent for the q=2 (Ising) model is estimated from the relaxation of the second moments of the order parameter with mixed initial conditions to give z(q=2) approximately 2.1668(19) .

  14. Investigation of the influence of quenched nonmagnetic impurities on phase transitions in the three-dimensional Potts model

    NASA Astrophysics Data System (ADS)

    Murtazaev, A. K.; Babaev, A. B.; Aznaurova, G. Ya.

    2008-04-01

    The influence of quenched nonmagnetic impurities on phase transitions in the three-dimensional Potts model with the number of spin states q = 3 is investigated using the Wolff single-cluster algorithm of the Monte Carlo method. The systems with linear sizes L = 20-44 at the spin concentrations p = 1.0, 0.9, 0.8, and 0.7 are analyzed. It is demonstrated with the use of the method of fourth-order Binder cumulants that the second-order phase transition occurs in the model under consideration at the spin concentrations p = 0.9, 0.8, and 0.7 and that the first-order phase transition is observed in the pure model ( p = 1.0). The static critical exponents α (heat capacity), γ (susceptibility), β (magnetization), and ν (correlation length) are calculated in the framework of the finite-size scaling theory. The problem regarding the universality classes of the critical behavior of weakly diluted systems is discussed.

  15. A cellular Potts model for the MMP-dependent and -independent cancer cell migration in matrix microtracks of different dimensions

    NASA Astrophysics Data System (ADS)

    Scianna, Marco; Preziosi, Luigi

    2014-03-01

    Cell migration is fundamental in a wide variety of physiological and pathological phenomena, among other in cancer invasion and development. In particular, the migratory/invasive capability of single metastatic cells is fundamental in determining the malignancy of a solid tumor. Specific cell migration phenotypes result for instance from the reciprocal interplay between the biophysical and biochemical properties of both the malignant cells themselves and of the surrounding environment. In particular, the extracellular matrices (ECMs) forming connective tissues can provide both loosely organized zones and densely packed barriers, which may impact cell invasion mode and efficiency. The critical processes involved in cell movement within confined spaces are (i) the proteolytic activity of matrix metalloproteinases (MMPs) and (ii) the deformation of the entire cell body, and in particular of the nucleus. We here present an extended cellular Potts model (CPM) to simulate a bio-engineered matrix system, which tests the active motile behavior of a single cancer cell into narrow channels of different widths. As distinct features of our approach, the cell is modeled as a compartmentalized discrete element, differentiated in the nucleus and in the cytosolic region, while a directional shape-dependent movement is explicitly driven by the evolution of its polarity vector. As outcomes, we find that, in a large track, the tumor cell is not able to maintain a directional movement. On the contrary, a structure of subcellular width behaves as a contact guidance sustaining cell persistent locomotion. In particular, a MMP-deprived cell is able to repolarize and follow the micropattern geometry, while a full MMP activity leads to a secondary track expansion by degrading the matrix structure. Finally, we confirm that cell movement within a subnuclear structure can be achieved either by pericellular proteolysis or by a significant deformation of cell nucleus.

  16. Pott puffy tumor

    PubMed Central

    Sharma, Pranav; Sharma, Salil; Gupta, Nishant; Kochar, Puneet

    2017-01-01

    Pott puffy tumor is osteomyelitis of the frontal bone with associated subperiosteal abscess causing swelling and edema over the forehead and scalp. It is a complication of frontal sinusitis or trauma. We present the case of an 8-year-old girl with frontal swelling. Imaging evaluation showed frontal osteomyelitis as a complication of frontal sinusitis with associated epidural and subperiosteal abscess. The patient was treated surgically and recovered well. This case highlights the need for high clinical suspicion and early diagnosis and management to prevent life-threatening complications. Unfortunately, in our case the patient had to undergo surgery for this complication, which could have been prevented by earlier diagnosis.

  17. Exact exponent for the number of persistent spins in the zero-temperature dynamics of the one-dimensional Potts model

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard; Hakim, Vincent; Pasquier, Vincent

    1996-12-01

    For the zero-temperature Glauber dynamics of the q-state Potts model, the fraction r(q, t) of spins which never flip up to time t decays like a power law r(q, t)˜t -θ(q) when the initial condition is random. By mapping the problem onto an exactly soluble one-species coagulation model ( A+A→A) or alternatively by transforming the problem into a free-fermion model, we obtain the exact expression of θ( q) for all values of q. The exponent π( q) is in general irrational, θ(3)=0.53795082..., θ(4)=0.63151575..., ..., with the exception of q=2 and q=∞, for which θ(2)=3/8 and θ(∞)=1.

  18. CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models

    NASA Astrophysics Data System (ADS)

    Komura, Yukihiro; Okabe, Yutaka

    2014-03-01

    We present sample CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm. We deal with the classical spin models; the Ising model, the q-state Potts model, and the classical XY model. As for the lattice, both the 2D (square) lattice and the 3D (simple cubic) lattice are treated. We already reported the idea of the GPU implementation for 2D models (Komura and Okabe, 2012). We here explain the details of sample programs, and discuss the performance of the present GPU implementation for the 3D Ising and XY models. We also show the calculated results of the moment ratio for these models, and discuss phase transitions. Catalogue identifier: AERM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AERM_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5632 No. of bytes in distributed program, including test data, etc.: 14688 Distribution format: tar.gz Programming language: C, CUDA. Computer: System with an NVIDIA CUDA enabled GPU. Operating system: System with an NVIDIA CUDA enabled GPU. Classification: 23. External routines: NVIDIA CUDA Toolkit 3.0 or newer Nature of problem: Monte Carlo simulation of classical spin systems. Ising, q-state Potts model, and the classical XY model are treated for both two-dimensional and three-dimensional lattices. Solution method: GPU-based Swendsen-Wang multi-cluster spin flip Monte Carlo method. The CUDA implementation for the cluster-labeling is based on the work by Hawick et al. [1] and that by Kalentev et al. [2]. Restrictions: The system size is limited depending on the memory of a GPU. Running time: For the parameters used in the sample programs, it takes about a minute for each program. Of course, it depends on the system size, the number of Monte Carlo steps, etc. References: [1] K

  19. Pott's spine and paraplegia.

    PubMed

    Gautam, M P; Karki, P; Rijal, S; Singh, R

    2005-01-01

    Spinal tuberculosis is usually secondary to lung or abdominal involvement and may also be the first manifestation of tuberculosis. Spinal tuberculosis (often called Pott's disease) is by definition, an advanced disease, requiring meticulous assessment and aggressive systemic therapy. Physicians should keep the diagnosis in mind, especially in a patient from a group with a high rate of tuberculosis infection. This review aims on updating the knowledge on spinal tuberculosis and its management. Skeletal involvement has been reported to occur in approximately 10% of all patents with extrapulmonary tuberculosis, and half of these patients develop infection within the spinal column. Symptoms of spinal tuberculosis are back pain, weakness, weight loss, fever, fatigue, and malaise. It is much more prone to develop neurological manifestation, paraplegia of varying degree. The palpation of spinous process in routine clinical examination is the most rewarding clinical method and is an invaluable measure for early recognition. Diagnosis of spinal tuberculosis is made on the basis of typical clinical presentation along with systemic constitutional manifestation and the evidence of past exposure to tuberculosis or concomitant visceral tuberculosis. Magnetic resonance imaging can define the extent of abscess formation and spinal cord compression. The diagnosis is confirmed through percutaneous or open biopsy of the spinal lesion. Surgery is necessary as an adjunct to antibiotic therapy if the vertebral infection produces an abscess, vertebral collapse, or neurologic compression. Some patents need aggressive supportive care owing to tuberculous meningitis or encephalopathy. Moreover, the importance of immediate commencement of appropriate treatment and its continuation for adequate duration along with the proper counseling of the patient and family members should not be underestimated for successful and desired outcome.

  20. Chiral Potts spin glass in d=2 and 3 dimensions.

    PubMed

    Çağlar, Tolga; Berker, A Nihat

    2016-09-01

    The chiral spin-glass Potts system with q=3 states is studied in d=2 and 3 spatial dimensions by renormalization-group theory and the global phase diagrams are calculated in temperature, chirality concentration p, and chirality-breaking concentration c, with determination of phase chaos and phase-boundary chaos. In d=3, the system has ferromagnetic, left-chiral, right-chiral, chiral spin-glass, and disordered phases. The phase boundaries to the ferromagnetic, left- and right-chiral phases show, differently, an unusual, fibrous patchwork (microreentrances) of all four (ferromagnetic, left-chiral, right-chiral, chiral spin-glass) ordered phases, especially in the multicritical region. The chaotic behavior of the interactions, under scale change, are determined in the chiral spin-glass phase and on the boundary between the chiral spin-glass and disordered phases, showing Lyapunov exponents in magnitudes reversed from the usual ferromagnetic-antiferromagnetic spin-glass systems. At low temperatures, the boundaries of the left- and right-chiral phases become thresholded in p and c. In d=2, the chiral spin-glass Potts system does not have a spin-glass phase, consistently with the lower-critical dimension of ferromagnetic-antiferromagnetic spin glasses. The left- and right-chirally ordered phases show reentrance in chirality concentration p.

  1. Does the Person-of-the-Therapist Training (POTT) Promote Self-Care? Personal Gains of MFT Trainees Following POTT: A Retrospective Thematic Analysis.

    PubMed

    Kissil, Karni; Niño, Alba

    2017-02-13

    As we recognize how taxing our profession can be, therapist's self-care has become a salient topic in mental health. However, we are still discerning how to promote self-care in our practice and in training. In this paper, we present a study on the personal gains that MFT students experienced after participating in the Person-of-the-Therapist Training (POTT). We propose that the reported changes (better understanding of self, change to self, relational changes, and change as a process) constitute improvements in the trainees' well-being, and can therefore be considered self-caring behaviors and practices. We state that models like POTT, that focus on embracing our vulnerability, can help clinicians be more caring toward ourselves. We conclude this paper by presenting clinical and training recommendations.

  2. Inference of Hopfield-Potts patterns from covariation in protein families: calculation and statistical error bars

    NASA Astrophysics Data System (ADS)

    Cocco, Simona; Monasson, Rémi; Weigt, Martin

    2013-12-01

    We consider the Hopfield-Potts model for the covariation between residues in protein families recently introduced in Cocco, Monasson, Weigt (2013). The patterns of the model are inferred from the data within a new gauge, more symmetric in the residues. We compute the statistical error bars on the pattern components. Results are illustrated on real data for a response regulator receiver domain (Pfam ID PF00072) family.

  3. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    PubMed

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  4. Schramm Loewner evolution in the three-state Potts model—a numerical study

    NASA Astrophysics Data System (ADS)

    Gamsa, Adam; Cardy, John

    2007-08-01

    The scaling limit of the spin cluster boundaries of the Ising model with domain wall boundary conditions is Schramm Loewner evolution (SLE) with κ = 3. We hypothesize that the three-state Potts model with appropriate boundary conditions has spin cluster boundaries which are also SLE in the scaling limit, but with κ = 10/3. To test this, we generate samples using the Wolff algorithm and test them against predictions of SLE: we examine the statistics of the Loewner driving function, estimate the fractal dimension and test against Schramm's formula. The results are in support of our hypothesis.

  5. [Pott's puffy tumor: a rare complication of frontal sinusitis].

    PubMed

    Aínsa Laguna, D; Pons Morales, S; Muñoz Tormo-Figueres, A; Vega Senra, M I; Otero Reigada, M C

    2014-05-01

    Pott's puffy tumor is a rare complication of frontal sinusitis characterized by swelling and edema in the brow due to a subperiosteal abscess associated with frontal osteomyelitis. Added complications are cellulitis by extension to the orbit and intracranial infection by posterior extension, with high risk of meningitis, intracranial abscess, and venous sinus thrombosis. Early diagnosis and aggressive medical or surgical treatment are essential for optimal recovery of affected patients. In the antibiotic age it is extremely rare, with very few cases described in the recent literature. A case is presented of a Pott inflammatory tumor in a 7 year-old boy, as a complication of acute pansinusitis who presented with front preseptal swelling and intracranial involvement with thrombosis of ophthalmic and superior orbital veins and frontal epidural abscess extending to the subarachnoid space.

  6. Weighted fractional permutation entropy and fractional sample entropy for nonlinear Potts financial dynamics

    NASA Astrophysics Data System (ADS)

    Xu, Kaixuan; Wang, Jun

    2017-02-01

    In this paper, recently introduced permutation entropy and sample entropy are further developed to the fractional cases, weighted fractional permutation entropy (WFPE) and fractional sample entropy (FSE). The fractional order generalization of information entropy is utilized in the above two complexity approaches, to detect the statistical characteristics of fractional order information in complex systems. The effectiveness analysis of proposed methods on the synthetic data and the real-world data reveals that tuning the fractional order allows a high sensitivity and more accurate characterization to the signal evolution, which is useful in describing the dynamics of complex systems. Moreover, the numerical research on nonlinear complexity behaviors is compared between the returns series of Potts financial model and the actual stock markets. And the empirical results confirm the feasibility of the proposed model.

  7. Unstable network fragmentation in co-evolution of Potts spins and system topology

    NASA Astrophysics Data System (ADS)

    Toruniewska, Joanna; Suchecki, Krzysztof; Hołyst, Janusz A.

    2016-10-01

    We investigate co-evolution of discrete q-state Potts model and the underlying network topology, where spin changes and link re-wiring follow the same canonical ensemble dynamics in a constant temperature. It means that there are no absorbing, frozen states present in our model. Depending on the temperature T and probability of link dynamics p the system can exist in one of three states: ordered, disordered and ordered clusters (fragmented network), with the last being unstable and slowly relaxing into ordered state. The transition from ordered clusters to globally ordered system is characterized by non-exponential, slow growth of the order parameter. We investigate this process analytically and explain the transition characteristics as the result of the dominance of activity of "surface" nodes in each ordered cluster, as opposed to "bulk" nodes that are inactive.

  8. Pott's puffy tumour: still not an eradicated entity.

    PubMed

    Guillén, A; Brell, M; Cardona, E; Claramunt, E; Costa, J M

    2001-05-01

    Pott's puffy tumour is an infrequent entity characterised by one or more subperiosteal abscesses associated with frontal bone osteomyelitis. Although cases in patients of all ages have been reported, teenagers are the most frequently affected. Early diagnosis and aggressive treatment are essential because of the high risk of severe neurological complications, such as epidural abscess, subdural empyema, and secondary septic thrombosis of the dural sinuses. This paper describes the case of a patient with a subperiosteal abscess resulting from sinusitis, with orbital and intracranial extension, and subsequent neurological complications. Despite modern methods of diagnosis and treatment, 13 new cases have been published in the last 5 years; in at least 3 (23%) of these cases there were serious neurological complications. Upper respiratory infections and sinusitis are leading causes of visits to the emergency department in the paediatric age group; however, no risk factors for poor outcome have so far been identified in any of these patients.

  9. Case report: a student of Asian origin with Pott's disease.

    PubMed

    Roggeman, Stijn; Buyck, Griet; Petrovic, Mirko; Callens, Steven; Van Braeckel, Eva

    2016-05-03

    We describe a case report of a student of Asian origin who presented with fever of unknown origin, cough, recent onset low back pain and weight loss. Initial physical examination was unremarkable. Laboratory results showed inflammation, but extensive testing for bacteriological and viral serology was negative. While the chest Computed Tomography (CT) scan did not show any abnormal findings, pelvic CT scan revealed an osteolytic sacral mass, with extension to the soft tissues and muscles, and concomitant nerve compression. An ultrasonography-guided puncture of the lesion eventually showed Mycobacterium tuberculosis, leading to the diagnosis of tuberculous spondylitis or Pott's disease. The standard tuberculostatic treatment was applied during 9 months with a good clinical result. Skeletal tuberculosis is not common in Western countries and it can be overlooked in foreign patients with fever of unknown origin.

  10. Une localisation exceptionnelle de la tuberculose vertébrale Mal de Pott sous-occipital

    PubMed Central

    Yahyaoui, Sana; Majdoub, Senda; Zaghouani, Houneida; Fradj, Hosni Ben; Bakir, Dejla; Bouajina, Elyes; Kraiem, Chakib

    2013-01-01

    Le mal de Pott est la forme la plus commune de la tuberculose osseuse touchant essentiellement le rachis dorso-lombaire. La localisation sous-occipitale reste exceptionnelle. Le diagnostic de cette entité est le plus souvent tardif ce qui expose à des complications graves. Les radiographies standard ne sont parlantes qu’à un stade tardif de la maladie, d'où l'intérêt de l'imagerie moderne notamment la tomodensitométrie (TDM) et l'imagerie par résonance magnétique (IRM) qui permettent un diagnostic précoce. Nous rapportons un nouveau cas de tuberculose sous-occipitale. Le diagnostic était posé sur l'imagerie en coupe et confirmé histologiquement à la biopsie transorale. Sont rappelés les aspects en imagerie de cette localisation particulière du mal de Pott. PMID:23819005

  11. Interventional re-opening of a PDA for reverse potts shunt circulation after ADO i implantation in a child.

    PubMed

    Schubert, Stephan; Peters, Björn; Berger, Felix

    2016-08-12

    We report interventional re-opening of a PDA for reverse Potts shunt circulation 12 months after closure in a 3.8 year old child, suffering from right ventricular (RV) failure due to suprasystemic pulmonary artery hypertension (PAH) after ADO I implantation. After ex vivo simulation, perforation through the mesh of the ADO I with the use of transseptal needle, wire looping (AO-PA), balloon dilatation, stent implantation (Palmaz 6 mm) and post dilatation, a reverse Pott-shunt circulation was established. A follow-up period of 11 months was achieved with preserved RV function and reverse Pott shunt circulation maintained a post ductal saturation of 94-88%. © 2016 Wiley Periodicals, Inc.

  12. Composite Clocks With 3-State Models

    DTIC Science & Technology

    2007-11-01

    believe the KF1 phase errors are smooth with time. Figure 5 magnifies an interval of Figure 4 to demonstrate that KF1 phase errors are not smooth for 3...LINEAR TU AND LINEAR MU Derivation and calculation for the discrete-time Kalman filter, linear in both TU and MU, is best presented by Meditch ...F. Kozin (John Wiley & Sons, New York). [10] J. S. Meditch , 1969, “Stochastic Optimal Linear Estimation and Control” (McGraw-Hill, New York

  13. On the Exact Evaluation of Certain Instances of the Potts Partition Function by Quantum Computers

    NASA Astrophysics Data System (ADS)

    Geraci, Joseph; Lidar, Daniel A.

    2008-05-01

    We present an efficient quantum algorithm for the exact evaluation of either the fully ferromagnetic or anti-ferromagnetic q-state Potts partition function Z for a family of graphs related to irreducible cyclic codes. This problem is related to the evaluation of the Jones and Tutte polynomials. We consider the connection between the weight enumerator polynomial from coding theory and Z and exploit the fact that there exists a quantum algorithm for efficiently estimating Gauss sums in order to obtain the weight enumerator for a certain class of linear codes. In this way we demonstrate that for a certain class of sparse graphs, which we call Irreducible Cyclic Cocycle Code (ICCCɛ) graphs, quantum computers provide a polynomial speed up in the difference between the number of edges and vertices of the graph, and an exponential speed up in q, over the best classical algorithms known to date.

  14. Phase transitions of the random-bond Potts chain with long-range interactions

    NASA Astrophysics Data System (ADS)

    Anglès d'Auriac, Jean-Christian; Iglói, Ferenc

    2016-12-01

    We study phase transitions of the ferromagnetic q -state Potts chain with random nearest-neighbor couplings having a variance Δ2 and with homogeneous long-range interactions, which decay with distance as a power r-(1 +σ ), σ >0 . In the large-q limit the free-energy of random samples of length L ≤2048 is calculated exactly by a combinatorial optimization algorithm. The phase transition stays first order for σ <σc(Δ ) ≤0.5 , while the correlation length becomes divergent at the transition point for σc(Δ ) <σ <1 . In the latter regime the average magnetization is continuous for small enough Δ , but for larger Δ —according to the numerical results—it becomes discontinuous at the transition point, thus the phase transition is expected of mixed order.

  15. Iterative Potts and Blake-Zisserman minimization for the recovery of functions with discontinuities from indirect measurements.

    PubMed

    Weinmann, Andreas; Storath, Martin

    2015-04-08

    Signals with discontinuities appear in many problems in the applied sciences ranging from mechanics, electrical engineering to biology and medicine. The concrete data acquired are typically discrete, indirect and noisy measurements of some quantities describing the signal under consideration. The task is to restore the signal and, in particular, the discontinuities. In this respect, classical methods perform rather poor, whereas non-convex non-smooth variational methods seem to be the correct choice. Examples are methods based on Mumford-Shah and piecewise constant Mumford-Shah functionals and discretized versions which are known as Blake-Zisserman and Potts functionals. Owing to their non-convexity, minimization of such functionals is challenging. In this paper, we propose a new iterative minimization strategy for Blake-Zisserman as well as Potts functionals and a related jump-sparsity problem dealing with indirect, noisy measurements. We provide a convergence analysis and underpin our findings with numerical experiments.

  16. 46 CFR 309.3 - Stated valuation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Stated valuation. 309.3 Section 309.3 Shipping MARITIME ADMINISTRATION, DEPARTMENT OF TRANSPORTATION EMERGENCY OPERATIONS VALUES FOR WAR RISK INSURANCE § 309.3 Stated valuation. A stated valuation represents just compensation for the vessel to which it applies computed...

  17. Ground-state entropy of Potts antiferromagnets: Bounds, series, and Monte Carlo measurements

    NASA Astrophysics Data System (ADS)

    Shrock, Robert; Tsai, Shan-Ho

    1997-09-01

    We report several results concerning W(Λ,q)=exp(S0/kB), the exponent of the ground-state entropy of the Potts antiferromagnet on a lattice Λ. First, we improve our previous rigorous lower bound on W(hc,q) for the honeycomb (hc) lattice and find that it is extremely accurate; it agrees to the first 11 terms with the large-q series for W(hc,q). Second, we investigate the heteropolygonal Archimedean 4.82 lattice, derive a rigorous lower bound, on W(4.82,q), and calculate the large-q series for this function to O(y12) where y=1/(q-1). Remarkably, these agree exactly to all 13 terms calculated. We also report Monte Carlo measurements, and find that these are very close to our lower bound and series. Third, we study the effect of non-nearest-neighbor couplings, focusing on the square lattice with next-nearest-neighbor bonds.

  18. Non-Hodgkin's lymphoma “masquerading” as Pott's disease in a 13-year old boy

    PubMed Central

    Adegboye, Olasunkanmi Abdulrasheed

    2011-01-01

    Lymphomas are malignant neoplasms of the lymphoid lineage. They are broadly classified as either Hodgkin disease or as non-Hodgkin lymphoma (NHL). Burkitt's lymphoma, a variety of NHL, is significantly most common in sub-Saharan Africa, where it accounts for approximately one half of childhood cancers. Lymphoblastic lymphoma is less common. A case of paravertebral high grade non-Hodgkin's lymphoma (lymphoblastic lymphoma) “masquerading” as Pott's disease in a 13-year-old child is reported. The present report was informed by the unusual presentation of this case and the intent of increasing the index of diagnostic suspicion. A brief appraisal is provided of the clinical parameters, management strategies and challenges. AT was a 13-year boy that presented on account of a slowly evolving and progressively increasing hunch on the back and inability to walk over 4 and 8 months duration, respectively. There was subsequent inability to control defecation and urination. There was no history of cough. He and his twin brother lived with their paternal grandfather who had chronic cough with associated weight loss. The grandfather died shortly before the child's admission. The child had no BCG immunization. The essential findings on examination were in keeping with lower motor neurons (LMN) paralysis of the lower limbs. The upper limbs appeared normal. There was loss of cutaneous sensation from the umbilicus (T10) downward. There was a firm, (rather tense), non-tender non-pulsatile, smooth swelling over the mid-third of the back (T6-L1) the mass had no differential warmth. It measures about 20×12 cm. Chest radiograph showed no active focal lung lesion, but the thoraco-lumbar spine showed a vertebral planner at L1 and a wedged collapse of T11-T12 vertebrae. There was sclerosis of the end plates of all the vertebral bodies with associated reduction in the bone density. He had an excision biopsy on the 90th day on admission, following which his clinical state rapidly

  19. Tuberculose ostéoarticulaire (mal de Pott exclu): à propos de 120 cas à Abidjan

    PubMed Central

    Gbané-Koné, Mariam; Koné, Samba; Ouali, Boubacar; Djaha, Kouassi Jean -Mermoz; Akoli, Ekoya Ondzala; Nseng, Ingrid Nseng; Eti, Edmond; Daboiko, Jean Claude; Touré, Stanislas André; Kouakou, N'zué Marcel

    2015-01-01

    Introduction La tuberculose ostéoarticulaire (TOA) représente 2 à 5% de l'ensemble des tuberculoses. Elle demeure d'actualité surtout dans les pays à forte endémicité tuberculeuse. L'objectif était de déterminer la prévalence, les aspects topographiques, radiologiques de la TOA en milieu hospitalier ivoirien. Méthodes Les auteurs rapportent une expérience de 11 ans, à travers une étude rétrospective de 120 dossiers de patients atteints de la tuberculose ostéoarticulaire (le mal de Pott est exclu de cette étude). N'ont pas été inclus dans l’étude les dossiers ne comportant pas d'imagerie. Résultats L'atteinte extra vertébrale représentait 09,2% de la tuberculose ostéoarticulaire. Il s'agissait de 54 hommes et 66 femmes, l’âge moyen était de 43,13 ans. On notait 123 cas d'ostéoarthrites, et 8 cas d'ostéites des os plats. L'atteinte des membres inférieurs prédominait dans 91,87% des cas. La hanche était la première localisation (45,04%), suivie du genou (25,19%). Les atteintes étaient multifocales dans 20% des cas. L'atteinte osseuse était associée à une tuberculose pulmonaire dans 05,83% des cas. Des localisations inhabituelles ont été rapportées: poignet (n = 2), branches ischiopubiennes (n = 4), atteinte sternoclaviculaire (n = 4), médiopieds (n = 2). Les lésions radiologiques étaient avancées (stades III et IV) dans 55,73% des cas. A la TDM, la prévalence des abcès était de 77%. Un geste chirurgical a été réalisé sur 16 articulations (2 épaules, 13 genoux, une cheville). Conclusion La TOA des membres est peu fréquente contrairement à l'atteinte vertébrale. La hanche est la principale localisation. Le retard au diagnostic explique l’étendue des lésions anatomoradiologiques. PMID:26587129

  20. Disorder solutions of lattice spin models

    NASA Astrophysics Data System (ADS)

    Batchelor, M. T.; van Leeuwen, J. M. J.

    1989-01-01

    It is shown that disorder solutions, which have been obtained by different methods, follow from a simple decimation method. The method is put in general form and new disorder solutions are constructed for the Blume-Emery-Griffiths model on a triangular lattice and for Potts and Ising models on square and fcc lattices.

  1. Cluster variation studies of the anisotropic exchange interaction model

    NASA Astrophysics Data System (ADS)

    King, T. C.; Chen, H. H.

    The cluster variation method is applied to study critical properties of the Potts-like ferromagnetic anisotropic exchange interaction model. Phase transition temperatures, order parameter discontinuities and latent heats of the model on the triangular and the fcc lattices are determined by the triangle approximation; and those on the square and the sc lattices are determined by the square approximation.

  2. Simulated Tempering and Swapping on Mean-Field Models

    NASA Astrophysics Data System (ADS)

    Bhatnagar, Nayantara; Randall, Dana

    2016-08-01

    Simulated and parallel tempering are families of Markov Chain Monte Carlo algorithms where a temperature parameter is varied during the simulation to overcome bottlenecks to convergence due to multimodality. In this work we introduce and analyze the convergence for a set of new tempering distributions which we call entropy dampening. For asymmetric exponential distributions and the mean field Ising model with an external field simulated tempering is known to converge slowly. We show that tempering with entropy dampening distributions mixes in polynomial time for these models. Examining slow mixing times of tempering more closely, we show that for the mean-field 3-state ferromagnetic Potts model, tempering converges slowly regardless of the temperature schedule chosen. On the other hand, tempering with entropy dampening distributions converges in polynomial time to stationarity. Finally we show that the slow mixing can be very expensive practically. In particular, the mixing time of simulated tempering is an exponential factor longer than the mixing time at the fixed temperature.

  3. Representation and Poly-time Approximation for Pressure of {Z}^2 Lattice Models in the Non-uniqueness Region

    NASA Astrophysics Data System (ADS)

    Adams, Stefan; Briceño, Raimundo; Marcus, Brian; Pavlov, Ronnie

    2016-02-01

    We develop a new pressure representation theorem for nearest-neighbour Gibbs interactions and apply this to obtain the existence of efficient algorithms for approximating the pressure in the 2-dimensional ferromagnetic Potts, multi-type Widom-Rowlinson and hard-core models. For Potts model, our results apply to every inverse temperature but the critical. For Widom-Rowlinson and hard-core models, they apply to certain subsets of both the subcritical and supercritical regions. The main novelty of our work is in the latter.

  4. 32 CFR 1903.3 - State law applicable.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 32 National Defense 6 2014-07-01 2014-07-01 false State law applicable. 1903.3 Section 1903.3 National Defense Other Regulations Relating to National Defense CENTRAL INTELLIGENCE AGENCY CONDUCT ON AGENCY INSTALLATIONS § 1903.3 State law applicable. (a) Unless specifically addressed by the...

  5. 32 CFR 1903.3 - State law applicable.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 32 National Defense 6 2012-07-01 2012-07-01 false State law applicable. 1903.3 Section 1903.3 National Defense Other Regulations Relating to National Defense CENTRAL INTELLIGENCE AGENCY CONDUCT ON AGENCY INSTALLATIONS § 1903.3 State law applicable. (a) Unless specifically addressed by the...

  6. 32 CFR 1903.3 - State law applicable.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 32 National Defense 6 2013-07-01 2013-07-01 false State law applicable. 1903.3 Section 1903.3 National Defense Other Regulations Relating to National Defense CENTRAL INTELLIGENCE AGENCY CONDUCT ON AGENCY INSTALLATIONS § 1903.3 State law applicable. (a) Unless specifically addressed by the...

  7. 32 CFR 1903.3 - State law applicable.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 32 National Defense 6 2011-07-01 2011-07-01 false State law applicable. 1903.3 Section 1903.3... AGENCY INSTALLATIONS § 1903.3 State law applicable. (a) Unless specifically addressed by the regulations... installation are governed by State law. State law that is now or may later be in effect is adopted and made...

  8. 32 CFR 1903.3 - State law applicable.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 32 National Defense 6 2010-07-01 2010-07-01 false State law applicable. 1903.3 Section 1903.3 National Defense Other Regulations Relating to National Defense CENTRAL INTELLIGENCE AGENCY CONDUCT ON AGENCY INSTALLATIONS § 1903.3 State law applicable. (a) Unless specifically addressed by the...

  9. Entanglement entropy and massless phase in the antiferromagnetic three-state quantum chiral clock model

    NASA Astrophysics Data System (ADS)

    Dai, Yan-Wei; Cho, Sam Young; Batchelor, Murray T.; Zhou, Huan-Qiang

    2017-01-01

    The von Neumann entanglement entropy is used to estimate the critical point hc/J ≃0.143 (3 ) of the mixed ferro-antiferromagnetic three-state quantum Potts model H =∑i[J (XiXi+1 2+Xi2Xi +1) -h Ri] , where Xi and Ri are standard three-state Potts spin operators and J >0 is the antiferromagnetic coupling parameter. This critical point value gives improved estimates for two Kosterlitz-Thouless transition points in the antiferromagnetic (β <0 ) region of the Δ -β phase diagram of the three-state quantum chiral clock model, where Δ and β are, respectively, the chirality and coupling parameters in the clock model. These are the transition points βc≃-0.143 (3 ) at Δ =1/2 between incommensurate and commensurate phases and βc≃-7.0 (1 ) at Δ =0 between disordered and incommensurate phases. The von Neumann entropy is also used to calculate the central charge c of the underlying conformal field theory in the massless phase h ≤hc . The estimate c ≃1 in this phase is consistent with the known exact value at the particular point h /J =-1 corresponding to the purely antiferromagnetic three-state quantum Potts model. The algebraic decay of the Potts spin-spin correlation in the massless phase is used to estimate the continuously varying critical exponent η .

  10. Phase transitions of boron carbide: Pair interaction model of high carbon limit

    NASA Astrophysics Data System (ADS)

    Yao, Sanxi; Huhn, W. P.; Widom, M.

    2015-09-01

    Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R 3 bar m), the enthalpy minimizing structure has lower, monoclinic, symmetry (space group Cm). The crystallographic primitive cell consists of a 12-atom icosahedron placed at the vertex of a rhombohedral lattice, together with a 3-atom chain along the 3-fold axis. In the limit of high carbon content, approaching 20% carbon, the icosahedra are usually of type B11 Cp, where the p indicates the carbon resides on a polar site, while the chains are of type C-B-C. We establish an atomic interaction model for this composition limit, fit to density functional theory total energies, that allows us to investigate the substitutional disorder using Monte Carlo simulations augmented by multiple histogram analysis. We find that the low temperature monoclinic Cm structure disorders through a pair of phase transitions, first via a 3-state Potts-like transition to space group R3m, then via an Ising-like transition to the experimentally observed R 3 bar m symmetry. The R3m and Cm phases are electrically polarized, while the high temperature R 3 bar m phase is nonpolar.

  11. Degeneracy estimation in interference models on wireless networks

    NASA Astrophysics Data System (ADS)

    McBride, Neal; Bulava, John; Galiotto, Carlo; Marchetti, Nicola; Macaluso, Irene; Doyle, Linda

    2017-03-01

    We present a Monte Carlo study of interference in real-world wireless networks using the Potts model. Our approach maps the Potts energy to discrete interference levels. These levels depend on the configurations of radio frequency allocation in the network. For the first time, we estimate the degeneracy of these interference levels using the Wang-Landau algorithm. The cumulative distribution function of the resulting density of states is found to increase rapidly at a critical interference value. We compare these critical values for several different real-world interference networks and Potts models. Our results show that models with a greater number of available frequency channels and less dense interference networks result in the majority of configurations having lower interference levels. Consequently, their critical interference levels occur at lower values. Furthermore, the area under the density of states increases and shifts to lower interference values. Therefore, the probability of randomly sampling low interference configurations is higher under these conditions. This result can be used to consider dynamic and distributed spectrum allocation in future wireless networks.

  12. A Weighted Difference of Anisotropic and Isotropic Total Variation Model for Image Processing

    DTIC Science & Technology

    2014-09-01

    model or a reconstructed result. A classical regularization is the total variation (TV) proposed by Rudin -Osher-Fatemi [33]. It is widely used in image...S. J. Osher and S. Esedoglu, Decomposition of images by the anisotropic rudin -osher-fatemi model, Comm. Pure Appl. Math, 57 (2003), pp. 1609–1626...R. B. Potts, Some generalized order-disorder transformations, Math. Proc. Cambridge Philos. Soc, (1952), pp. 106–109. [33] L. Rudin , S. Osher, and E

  13. Statistical Mechanics Model for the Dynamics of Collective Epigenetic Histone Modification

    NASA Astrophysics Data System (ADS)

    Zhang, Hang; Tian, Xiao-Jun; Mukhopadhyay, Abhishek; Kim, K. S.; Xing, Jianhua

    2014-02-01

    Epigenetic histone modifications play an important role in the maintenance of different cell phenotypes. The exact molecular mechanism for inheritance of the modification patterns over cell generations remains elusive. We construct a Potts-type model based on experimentally observed nearest-neighbor enzyme lateral interactions and nucleosome covalent modification state biased enzyme recruitment. The model can lead to effective nonlocal interactions among nucleosomes suggested in previous theoretical studies, and epigenetic memory is robustly inheritable against stochastic cellular processes.

  14. A novel dynamics combination model reveals the hidden information of community structure

    NASA Astrophysics Data System (ADS)

    Li, Hui-Jia; Li, Huiying; Jia, Chuanliang

    2015-09-01

    The analysis of the dynamic details of community structure is an important question for scientists from many fields. In this paper, we propose a novel Markov-Potts framework to uncover the optimal community structures and their stabilities across multiple timescales. Specifically, we model the Potts dynamics to detect community structure by a Markov process, which has a clear mathematical explanation. Then the local uniform behavior of spin values revealed by our model is shown that can naturally reveal the stability of hierarchical community structure across multiple timescales. To prove the validity, phase transition of stochastic dynamic system is used to indicate that the stability of community structure we proposed is able to describe the significance of community structure based on eigengap theory. Finally, we test our framework on some example networks and find it does not have resolute limitation problem at all. Results have shown the model we proposed is able to uncover hierarchical structure in different scales effectively and efficiently.

  15. S3 State of the O2-Evolving Complex of Photosystem II: Insights from QM/MM, EXAFS, and Femtosecond X-ray Diffraction.

    PubMed

    Askerka, Mikhail; Wang, Jimin; Vinyard, David J; Brudvig, Gary W; Batista, Victor S

    2016-02-23

    The oxygen-evolving complex (OEC) of photosystem II has been studied in the S3 state by electron paramagnetic resonance, extended X-ray absorption fine structure (EXAFS), and femtosecond X-ray diffraction (XRD). However, the actual structure of the OEC in the S3 state has yet to be established. Here, we apply hybrid quantum mechanics/molecular mechanics methods and propose a structural model that is consistent with EXAFS and XRD. The model supports binding of water ligands to the cluster in the S2 → S3 transition through a carousel rearrangement around Mn4, inspired by studies of ammonia binding.

  16. A Dynamic Directional Model for Effective Brain Connectivity using Electrocorticographic (ECoG) Time Series

    PubMed Central

    Zhang, Tingting; Li, Fan

    2015-01-01

    We introduce a dynamic directional model (DDM) for studying brain effective connectivity based on intracranial electrocorticographic (ECoG) time series. The DDM consists of two parts: a set of differential equations describing neuronal activity of brain components (state equations), and observation equations linking the underlying neuronal states to observed data. When applied to functional MRI or EEG data, DDMs usually have complex formulations and thus can accommodate only a few regions, due to limitations in spatial resolution and/or temporal resolution of these imaging modalities. In contrast, we formulate our model in the context of ECoG data. The combined high temporal and spatial resolution of ECoG data result in a much simpler DDM, allowing investigation of complex connections between many regions. To identify functionally segregated sub-networks, a form of biologically economical brain networks, we propose the Potts model for the DDM parameters. The neuronal states of brain components are represented by cubic spline bases and the parameters are estimated by minimizing a log-likelihood criterion that combines the state and observation equations. The Potts model is converted to the Potts penalty in the penalized regression approach to achieve sparsity in parameter estimation, for which a fast iterative algorithm is developed. The methods are applied to an auditory ECoG dataset. PMID:25983358

  17. Structural changes in the S3 state of the oxygen evolving complex in photosystem II

    NASA Astrophysics Data System (ADS)

    Hatakeyama, Makoto; Ogata, Koji; Fujii, Katsushi; Yachandra, Vittal K.; Yano, Junko; Nakamura, Shinichiro

    2016-05-01

    The S3 state of the Mn4CaO5-cluster in photosystem II was investigated by DFT calculations and compared with EXAFS data. Considering previously proposed mechanism; a water molecule is inserted into an open coordination site of Mn upon S2 to S3 transition that becomes a substrate water, we examined if the water insertion is essential for the S3 formation, or if one cannot eliminate other possible routes that do not require a water insertion at the S3 stage. The novel S3 state structure consisting of only short 2.7-2.8 Å Mnsbnd Mn distances was discussed.

  18. Dynamics of ordering in highly degenerate models with anisotropic grain-boundary potential: Effects of temperature and vortex formation

    NASA Astrophysics Data System (ADS)

    Jeppesen, Claus; Flyvbjerg, Henrik; Mouritsen, Ole G.

    1989-11-01

    Monte Carlo computer-simulation techniques are used to elucidate the equilibrium phase behavior as well as the late-stage ordering dynamics of some two-dimensional models with ground-state ordering of a high degeneracy Q. The models are Q-state Potts models with anisotropic grain-boundary potential on triangular lattices-essentially clock models, except that the potential is not a cosine, but a sine function of the angle between neighboring grain orientations. For not too small Q, these models display two thermally driven phase transitions, one which takes the system from a low-temperature Potts-ordered phase to an intermediate phase which lacks conventional long-range order, and another transition which takes the system to the high-temperature disordered phase. The linear nature of the sine potential used makes it a marginal case in the sense that it favors neither hard domain boundaries, like the standard Potts models do, nor a wetting of the boundaries, as the standard clock models do. Thermal fluctuations nevertheless cause wetting to occur for not too small temperatures. Specifically, we have studied models with Q=12 and 48. The models are quenched from infinity to zero as well as finite temperatures within the two low-temperature phases. The order parameter is a nonconserved quantity during these quenches. The nonequilibrium ordering process subsequent to the quench is studied as a function of time by calculating the interfacial energy, ΔE, associated with the entire grain-boundary network. The time evolution of this quantity is shown to obey the growth law, ΔE(t)~t-n, over an extended time range at late times. It is found that the zero-temperature dynamics is characterized by a special exponent value which for the Q=48 model is n~=0.25 in accordance with earlier work. However, for quenches to finite temperatures in the Potts-ordered phase there is a distinct crossover to the classical Lifshitz-Allen-Cahn exponent value, n=(1/2, for both values of Q. This

  19. 7 CFR 1900.3 - State, district, and county office employees.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 7 Agriculture 12 2013-01-01 2013-01-01 false State, district, and county office employees. 1900.3 Section 1900.3 Agriculture Regulations of the Department of Agriculture (Continued) RURAL HOUSING SERVICE... AGRICULTURE PROGRAM REGULATIONS GENERAL Delegations of Authority § 1900.3 State, district, and county...

  20. 50 CFR 70.3 - State cooperation in national fish hatchery area management.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 50 Wildlife and Fisheries 6 2010-10-01 2010-10-01 false State cooperation in national fish hatchery area management. 70.3 Section 70.3 Wildlife and Fisheries UNITED STATES FISH AND WILDLIFE SERVICE... § 70.3 State cooperation in national fish hatchery area management. State cooperation may be...

  1. 28 CFR 904.3 - State criminal history record screening standards.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 28 Judicial Administration 2 2011-07-01 2011-07-01 false State criminal history record screening... STATE CRIMINAL HISTORY RECORD SCREENING STANDARDS § 904.3 State criminal history record screening standards. The following record screening standards relate to criminal history record information...

  2. 28 CFR 904.3 - State criminal history record screening standards.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 28 Judicial Administration 2 2012-07-01 2012-07-01 false State criminal history record screening... STATE CRIMINAL HISTORY RECORD SCREENING STANDARDS § 904.3 State criminal history record screening standards. The following record screening standards relate to criminal history record information...

  3. 28 CFR 904.3 - State criminal history record screening standards.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 28 Judicial Administration 2 2013-07-01 2013-07-01 false State criminal history record screening... STATE CRIMINAL HISTORY RECORD SCREENING STANDARDS § 904.3 State criminal history record screening standards. The following record screening standards relate to criminal history record information...

  4. 28 CFR 904.3 - State criminal history record screening standards.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 28 Judicial Administration 2 2014-07-01 2014-07-01 false State criminal history record screening... STATE CRIMINAL HISTORY RECORD SCREENING STANDARDS § 904.3 State criminal history record screening standards. The following record screening standards relate to criminal history record information...

  5. 28 CFR 904.3 - State criminal history record screening standards.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 28 Judicial Administration 2 2010-07-01 2010-07-01 false State criminal history record screening... STATE CRIMINAL HISTORY RECORD SCREENING STANDARDS § 904.3 State criminal history record screening standards. The following record screening standards relate to criminal history record information...

  6. The XY model coupled to two-dimensional quantum gravity

    NASA Astrophysics Data System (ADS)

    Baillie, C. F.; Johnston, D. A.

    1992-09-01

    We perform Monte Carlo simulations using the Wolff cluster algorithm of the XY model on both fixed and dynamical phi-cubed graphs (i.e. without and with coupling to two-dimensional quantum gravity). We compare the numerical results with the theoretical expectation that the phase transition remains of KT type when the XY model is coupled to gravity. We also examine whether the universality we discovered in our earlier work on various Potts models with the same value of the central charge, c, carries over to the XY model, which has c=1.

  7. Improved CUDA programs for GPU computing of Swendsen-Wang multi-cluster spin flip algorithm: 2D and 3D Ising, Potts, and XY models

    NASA Astrophysics Data System (ADS)

    Komura, Yukihiro; Okabe, Yutaka

    2016-03-01

    We present new versions of sample CUDA programs for the GPU computing of the Swendsen-Wang multi-cluster spin flip algorithm. In this update, we add the method of GPU-based cluster-labeling algorithm without the use of conventional iteration (Komura, 2015) to those programs. For high-precision calculations, we also add a random-number generator in the cuRAND library. Moreover, we fix several bugs and remove the extra usage of shared memory in the kernel functions.

  8. Surgical treatment of thoracic Pott disease in a 3-year-old child, with vertebral column resection and posterior-only circumferential reconstruction of the spinal column: case report.

    PubMed

    Rangel-Castilla, Leonardo; Hwang, Steven W; Whitehead, William E; Curry, Daniel J; Luerssen, Thomas G; Jea, Andrew

    2012-04-01

    Tuberculosis (TB) is a common disease worldwide that is caused by Mycobacterium tuberculosis. Tuberculosis of the spine, also called Pott disease, is the most common site of bony dissemination. Although children are disproportionately affected, spinal TB is nonetheless rare in very young children. Cases involving infants requiring surgical intervention have been previously reported, and they are often associated with greater management challenges given the technical difficulty with instrumentation in very young children. This case involved a 3-year-old girl with TB centered at T-6, who presented with myelopathy from spinal cord compression and a severe kyphotic deformity (> 60°). She underwent a single-stage costotransversectomy for vertebral column resection, followed by reconstruction with an anterior expandable titanium cage and posterior pedicle screw instrumentation. At last follow-up, the patient was clinically and radiographically stable. The authors report on the youngest patient with spinal TB treated surgically with this strategy and review the literature regarding prior cases involving young children. Although limited by the paucity of cases in the literature, surgical debridement and spinal fusion appear to provide a safe alternative to prolonged bed rest or casting and may offer additional benefits of a faster recovery and ambulation.

  9. Resonance Raman and theoretical investigation of the photodissociation dynamics of benzamide in S3 state.

    PubMed

    Pei, Ke-Mei; Ma, Yufang; Zheng, Xuming

    2008-06-14

    Resonance Raman spectra were obtained for benzamide in methanol and acetonitrile solutions with excitation wavelengths in resonance with the S(3) state. These spectra indicate that the Franck-Condon region photodissociation dynamics have multidimensional character with the motions mainly along the benzene ring C[Double Bond]C stretch nu(9), the Ph-CO-NH(2) and ring benzene stretch nu(14), the CCH in plane bend nu(17), the Ph-CO-NH(2) stretch and NH(2) rock nu(19), the ring trigonal bend nu(23), and the ring deformation and Ph-CO-NH(2) stretch nu(29). A preliminary resonance Raman intensity analysis was done, and the results were compared to those previously reported for acetophenone to examine the substituent effect. Solvent effect on the short-time photodissociation dynamics of benzamide was also examined. A conical intersection point S(2)S(3) between S(3) and S(2) potential energy surfaces of benzamide was determined by using a complete active space self-consistent field theory computations. The structural differences and similarities between S(3)S(2) point and S(0) were examined, and the results were used to correlate to the Franck-Condon photodissociation dynamics of benzamide in S(3) state.

  10. Estimating skin permeation. The validation of five mathematical skin permeation models.

    PubMed

    Wilschut, A; ten Berge, W F; Robinson, P J; McKone, T E

    1995-04-01

    This study provides an analysis of the reliability of five mathematical models, simulating permeation of substances through the skin from aqueous solutions. An extensive database was generated, containing data on 123 measured permeation coefficients of 99 different chemicals and their physicochemical properties. In addition, in this database all relevant experimental conditions are included. The coefficients of the different skin permeation models were estimated by non-linear multiple regression, using the octanol-water partition coefficient and the molecular weight as independent parameters. The reliability of the models was evaluated by testing variation of regression coefficients and of residual variance for subsets of data, randomly selected from the complete database. Three models were considered to provide reliable estimations of the skin permeation coefficient. These are based on the McKone and Howd model, the Guy and Potts model and the Robinson model. The last-mentioned two models were adaptations, because MW0.5 as independent parameter provided a better fit than MW (MW = molecular weight) in the original models. The McKone and Howd model and the Robinson model have the advantage, that they predict more precisely the skin permeation of highly hydrophilic and highly lipophilic chemicals compared to the Guy and Potts model. The revised Robinson model resulted always in the smallest residual variance.

  11. Critical behavior of the random-bond Ashkin-Teller model: A Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Wiseman, Shai; Domany, Eytan

    1995-04-01

    The critical behavior of a bond-disordered Ashkin-Teller model on a square lattice is investigated by intensive Monte Carlo simulations. A duality transformation is used to locate a critical plane of the disordered model. This critical plane corresponds to the line of critical points of the pure model, along which critical exponents vary continuously. Along this line the scaling exponent corresponding to randomness φ=(α/ν) varies continuously and is positive so that the randomness is relevant, and different critical behavior is expected for the disordered model. We use a cluster algorithm for the Monte Carlo simulations based on the Wolff embedding idea, and perform a finite size scaling study of several critical models, extrapolating between the critical bond-disordered Ising and bond-disordered four-state Potts models. The critical behavior of the disordered model is compared with the critical behavior of an anisotropic Ashkin-Teller model, which is used as a reference pure model. We find no essential change in the order parameters' critical exponents with respect to those of the pure model. The divergence of the specific heat C is changed dramatically. Our results favor a logarithmic type divergence at Tc, C~lnL for the random-bond Ashkin-Teller and four-state Potts models and C~ln lnL for the random-bond Ising model.

  12. Low T3 State Is Correlated with Cardiac Mitochondrial Impairments after Ischemia Reperfusion Injury: Evidence from a Proteomic Approach.

    PubMed

    Forini, Francesca; Ucciferri, Nadia; Kusmic, Claudia; Nicolini, Giuseppina; Cecchettini, Antonella; Rocchiccioli, Silvia; Citti, Lorenzo; Iervasi, Giorgio

    2015-11-06

    Mitochondria are major determinants of cell fate in ischemia/reperfusion injury (IR) and common effectors of cardio-protective strategies in cardiac ischemic disease. Thyroid hormone homeostasis critically affects mitochondrial function and energy production. Since a low T3 state (LT3S) is frequently observed in the post infarction setting, the study was aimed to investigate the relationship between 72 h post IR T3 levels and both the cardiac function and the mitochondrial proteome in a rat model of IR. The low T3 group exhibits the most compromised cardiac performance along with the worst mitochondrial activity. Accordingly, our results show a different remodeling of the mitochondrial proteome in the presence or absence of a LT3S, with alterations in groups of proteins that play a key role in energy metabolism, quality control and regulation of cell death pathways. Overall, our findings highlight a relationship between LT3S in the early post IR and poor cardiac and mitochondrial outcomes, and suggest a potential implication of thyroid hormone in the cardio-protection and tissue remodeling in ischemic disease.

  13. Gibbosité vertébrale congénitale évoquant un mal de Pott chez un nouveau-né de mère tuberculeuse: à propos d'un cas et revue de la literature

    PubMed Central

    Katamea, Tina; Mukuku, Olivier; Luboya, Oscar Numbi

    2014-01-01

    Les formes latentes de tuberculose chez la femme enceinte sont associées à un risque élevé de passage à une forme active qui augmente le risque de transmission de la mère infectée à l'enfant dans les 3 premières semaines de vie. Nous rapportons un cas de Gibbosité vertébrale congénitale évoquant un mal de Pott chez un nourrisson de mère tuberculeuse, observé à Lubumbashi, en République Démocratique du Congo. PMID:25478046

  14. Modeling cell shape and dynamics on micropatterns

    PubMed Central

    Albert, Philipp J.; Schwarz, Ulrich S.

    2016-01-01

    ABSTRACT Adhesive micropatterns have become a standard tool to study cells under defined conditions. Applications range from controlling the differentiation and fate of single cells to guiding the collective migration of cell sheets. In long-term experiments, single cell normalization is challenged by cell division. For all of these setups, mathematical models predicting cell shape and dynamics can guide pattern design. Here we review recent advances in predicting and explaining cell shape, traction forces and dynamics on micropatterns. Starting with contour models as the simplest approach to explain concave cell shapes, we move on to network and continuum descriptions as examples for static models. To describe dynamic processes, cellular Potts, vertex and phase field models can be used. Different types of model are appropriate to address different biological questions and together, they provide a versatile tool box to predict cell behavior on micropatterns. PMID:26838278

  15. Single-cluster dynamics for the random-cluster model

    NASA Astrophysics Data System (ADS)

    Deng, Youjin; Qian, Xiaofeng; Blöte, Henk W. J.

    2009-09-01

    We formulate a single-cluster Monte Carlo algorithm for the simulation of the random-cluster model. This algorithm is a generalization of the Wolff single-cluster method for the q -state Potts model to noninteger values q>1 . Its results for static quantities are in a satisfactory agreement with those of the existing Swendsen-Wang-Chayes-Machta (SWCM) algorithm, which involves a full-cluster decomposition of random-cluster configurations. We explore the critical dynamics of this algorithm for several two-dimensional Potts and random-cluster models. For integer q , the single-cluster algorithm can be reduced to the Wolff algorithm, for which case we find that the autocorrelation functions decay almost purely exponentially, with dynamic exponents zexp=0.07 (1), 0.521 (7), and 1.007 (9) for q=2 , 3, and 4, respectively. For noninteger q , the dynamical behavior of the single-cluster algorithm appears to be very dissimilar to that of the SWCM algorithm. For large critical systems, the autocorrelation function displays a range of power-law behavior as a function of time. The dynamic exponents are relatively large. We provide an explanation for this peculiar dynamic behavior.

  16. Single-cluster dynamics for the random-cluster model.

    PubMed

    Deng, Youjin; Qian, Xiaofeng; Blöte, Henk W J

    2009-09-01

    We formulate a single-cluster Monte Carlo algorithm for the simulation of the random-cluster model. This algorithm is a generalization of the Wolff single-cluster method for the q-state Potts model to noninteger values q>1. Its results for static quantities are in a satisfactory agreement with those of the existing Swendsen-Wang-Chayes-Machta (SWCM) algorithm, which involves a full-cluster decomposition of random-cluster configurations. We explore the critical dynamics of this algorithm for several two-dimensional Potts and random-cluster models. For integer q, the single-cluster algorithm can be reduced to the Wolff algorithm, for which case we find that the autocorrelation functions decay almost purely exponentially, with dynamic exponents z(exp)=0.07 (1), 0.521 (7), and 1.007 (9) for q=2, 3, and 4, respectively. For noninteger q, the dynamical behavior of the single-cluster algorithm appears to be very dissimilar to that of the SWCM algorithm. For large critical systems, the autocorrelation function displays a range of power-law behavior as a function of time. The dynamic exponents are relatively large. We provide an explanation for this peculiar dynamic behavior.

  17. Exact First-Passage Exponents of 1D Domain Growth: Relation to a Reaction-Diffusion Model

    NASA Astrophysics Data System (ADS)

    Derrida, Bernard; Hakim, Vincent; Pasquier, Vincent

    1995-07-01

    In the zero temperature Glauber dynamics of the ferromagnetic Ising or q-state Potts model, the size of domains is known to grow like t1/2. Recent simulations have shown that the fraction r\\(q,t\\) of spins, which have never flipped up to time t, decays like the power law r\\(q,t\\)~t-θ\\(q\\) with a nontrivial dependence of the exponent θ\\(q\\) on q and on space dimension. By mapping the problem on an exactly soluble one-species coagulation model ( A+A-->A), we obtain the exact expression of θ\\(q\\) in dimension one.

  18. The S3 state of photosystem II: differences between the structure of the manganese complex in the S2 and S3 states determined by X-ray absorption spectroscopy.

    PubMed

    Guiles, R D; Zimmermann, J L; McDermott, A E; Yachandra, V K; Cole, J L; Dexheimer, S L; Britt, R D; Wieghardt, K; Bossek, U; Sauer, K

    1990-01-16

    O2-evolving photosystem II (PSII) membranes from spinach have been cryogenically stabilized in the S3 state of the oxygen-evolving complex. The cryogenic trapping of the S3 state was achieved using a double-turnover illumination of dark-adapted PSII preparations maintained at 240 K. A double turnover of PSII was accomplished using the high-potential acceptor, Q400, which is the high-spin iron of the iron-quinone acceptor complex. EPR spectroscopy was the principal tool establishing the S-state composition and defining the electron-transfer events associated with a double turnover of PSII. The inflection point energy of the Mn X-ray absorption K-edge of PSII preparations poised in the S3 state is the same as for those poised in the S2 state. This is surprising in light of the loss of the multiline EPR signal upon advancing to the S3 state. This indicates that the oxidative equivalent stored within the oxygen-evolving complex (OEC) during this transition resides on another intermediate donor which must be very close to the manganese complex. An analysis of the Mn extended X-ray absorption fine structure (EXAFS) of PSII preparations poised in the S2 and S3 states indicates that a small structural rearrangement occurs during this photoinduced transition. A detailed comparison of the Mn EXAFS of these two S states with the EXAFS of four multinuclear mu-oxo-bridged manganese compounds indicates that the photosynthetic manganese site most probably consists of a pair of binuclear di-mu-oxo-bridged manganese structures. However, we cannot rule out, on the basis of the EXAFS analysis alone, a complex containing a mononuclear center and a linear trinuclear complex. The subtle differences observed between the S states are best explained by an increase in the spread of Mn-Mn distances occurring during the S2----S3 state transition. This increased disorder in the manganese distances suggests the presence of two inequivalent di-mu-oxo-bridged binuclear structures in the S3 state.

  19. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    SciTech Connect

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter A.; Clark, Blythe; Glazoff, Michael; Homer, Eric

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  20. [Pott's disease in a Colombian indigenous man].

    PubMed

    Jurado, Leonardo F; Murcia, Martha I; Arias, Jaime; Sánchez, Liliana

    2015-01-01

    Approximately 2 million people die each year from tuberculosis. One third of the world´s population is estimated to be infected with the tuberculosis bacillus, although only 5-10% will develop the disease in their lifetime. The disease progression risk depends on endogenous and exogenous factors. Indigenous communities are a high-risk group for infection and development of tuberculosis. In addition to factors such as geographical isolation, social and cultural neglect and malnutrition, susceptibility to genetic polymorphisms has been identified in them. Spinal tuberculosis is the most destructive form of the disease, which represents approximately half of all cases of skeletal tuberculosis. The case of an HIV negative, indigenous Colombian man is presented. His diagnosis was done based on clinical and image findings, and it was confirmed with the rapid molecular assay Genotype MTBDRplus® and IS6110 PCR.The culture in solid media was negative after 16 weeks. We briefly discuss the pathogenesis, diagnosis and treatment. Finally, we comment on some aspects of the situation of tuberculosis among indigenous Colombian communities.

  1. Completeness of the classical 2D Ising model and universal quantum computation.

    PubMed

    Van den Nest, M; Dür, W; Briegel, H J

    2008-03-21

    We prove that the 2D Ising model is complete in the sense that the partition function of any classical q-state spin model (on an arbitrary graph) can be expressed as a special instance of the partition function of a 2D Ising model with complex inhomogeneous couplings and external fields. In the case where the original model is an Ising or Potts-type model, we find that the corresponding 2D square lattice requires only polynomially more spins with respect to the original one, and we give a constructive method to map such models to the 2D Ising model. For more general models the overhead in system size may be exponential. The results are established by connecting classical spin models with measurement-based quantum computation and invoking the universality of the 2D cluster states.

  2. Star-triangle relation for a three-dimensional model

    SciTech Connect

    Bazhanov, V.V. Institute for High Eenrgy Physics, Protvino, Moscow Region ); Baxter, R.J. Australian National Univ., Canberra )

    1993-06-01

    The solvable sl(n)-chiral Potts model can be interpreted as a three-dimensional lattice model with local interactions. To within a minor modification of the boundary conditions it is an Ising-type model on the body-centered cubic lattice with two- and three-spin interactions. The corresponding local Boltzmann weights obey a number of simple relations, including a restricted star-triangle relation, which is a modified version of the well-known star-triangle relation appearing in two-dimensional models. It is shown that these relations lead to remarkable symmetry properties of the Boltzmann weight function of an elementary cube of the lattice, related to the spatial symmetry group of the cubic lattice. These symmetry properties allow one to prove the commutativity of the row-to-row transfer matrices, bypassing the tetrahedron relation. The partition function per site for the infinite lattice is calculated exactly. 20 refs., 4 figs.

  3. Prediabetes in rural and urban children in 3 states in Mexico.

    PubMed

    Aradillas-García, Celia; Malacara, Juan M; Garay-Sevilla, Ma Eugenia; Guízar, Juan M; Camacho, Nicolás; De la Cruz-Mendoza, Esperanza; Quemada, Leticia; Sierra, Juan Francisco Hernández

    2007-01-01

    The authors studied the frequency, distribution, and factors associated with prediabetes (fasting glucose, 100-125 mg/dL) in rural and urban children from San Luis Potosí, León, and Querétaro in central Mexico. Family history, somatometry, and levels of fasting insulin, glucose, and lipids were collected in 1238 children 6 to 13 years of age. The authors found no cases of type 2 diabetes and a 5.7% frequency of prediabetes. The group with prediabetes had higher homeostasis model assessment of insulin resistance scores and total cholesterol and high-density lipoprotein cholesterol levels. Prediabetes was more frequent in León, with similar distribution in rural and urban children. The frequency of insulin resistance was 24.1%, with higher figures in urban groups and in San Luis Potosí. In multivariate analysis, prediabetes was associated with insulin resistance and residence in León. The authors concluded that in central Mexico the frequency of prediabetes is significant, and it is associated with insulin resistance and a geographic location, but not with obesity or urban vs rural dwelling.

  4. Predissociation of the A2Sigma+ (v' = 3) state of the OH radical.

    PubMed

    Radenović, Dragana C; van Roij, André J A; Wu, Shiou-Min; Ter Meulen, J J; Parker, David H; van der Loo, Mark P J; Groenenboom, Gerrit C

    2009-06-21

    Predissociation of electronically excited OH A(2)Sigma(+) (v' = 3) is studied using velocity-map imaging of the atomic oxygen photofragments. Fine structure yields, angular distributions and alignment parameters are obtained for the O((3)P(J)), J = 2,1,0 products. Angular distributions for the O(3)P(0) (J = 0) fragment, which has no angular momentum polarization, agree well with predictions from the angular distribution simulation computer routine by Kim et al. [J. Chem. Phys., 2006, 125, 133316] which calculates the anisotropy of photofragment recoil as a function of dissociation lifetime, excitation frequency, rotational level, and rotational constant. When angular momentum polarization (i.e. non-equilibrium population distributions of the magnetic sublevels) of the atomic fragments is present, the polarization sensitivity of the O((3)P(J)) (2 + 1) resonance enhanced multiphoton ionization (REMPI) detection scheme used to detect the O((3)P(2,1)) products affects the measured angular distribution. Strong polarization effects are observed for the O((3)P(2,1)) products and accounted for in a simple sudden limit model for the photodissociation. In agreement with the sudden limit predictions for pre-dissociation of OH A(2)Sigma(+) (v' = 3) through the (4)Sigma(-) state, strongly aligned O((3)P(2)) is found to be the major product.

  5. Probabilistic pairwise Markov models: application to prostate cancer detection

    NASA Astrophysics Data System (ADS)

    Monaco, James; Tomaszewski, John E.; Feldman, Michael D.; Moradi, Mehdi; Mousavi, Parvin; Boag, Alexander; Davidson, Chris; Abolmaesumi, Purang; Madabhushi, Anant

    2009-02-01

    Markov Random Fields (MRFs) provide a tractable means for incorporating contextual information into a Bayesian framework. This contextual information is modeled using multiple local conditional probability density functions (LCPDFs) which the MRF framework implicitly combines into a single joint probability density function (JPDF) that describes the entire system. However, only LCPDFs of certain functional forms are consistent, meaning they reconstitute a valid JPDF. These forms are specified by the Gibbs-Markov equivalence theorem which indicates that the JPDF, and hence the LCPDFs, should be representable as a product of potential functions (i.e. Gibbs distributions). Unfortunately, potential functions are mathematical abstractions that lack intuition; and consequently, constructing LCPDFs through their selection becomes an ad hoc procedure, usually resulting in generic and/or heuristic models. In this paper we demonstrate that under certain conditions the LCDPFs can be formulated in terms of quantities that are both meaningful and descriptive: probability distributions. Using probability distributions instead of potential functions enables us to construct consistent LCPDFs whose modeling capabilities are both more intuitive and expansive than typical MRF models. As an example, we compare the efficacy of our so-called probabilistic pairwise Markov models (PPMMs) to the prevalent Potts model by incorporating both into a novel computer aided diagnosis (CAD) system for detecting prostate cancer in whole-mount histological sections. Using the Potts model the CAD system is able to detection cancerous glands with a specificity of 0.82 and sensitivity of 0.71; its area under the receiver operator characteristic (AUC) curve is 0.83. If instead the PPMM model is employed the sensitivity (specificity is held fixed) and AUC increase to 0.77 and 0.87.

  6. Turnover control of photosystem II: Use of redox-active herbicides to form the S[sub 3] state

    SciTech Connect

    Bocarsly, J.R.; Brudvig, G.W. )

    1992-12-02

    The O[sub 2]-evolving center of photosystem II, which contains an active-site tetramanganese-oxo cluster, catalyzes the four-electron oxidation of two water molecules to dioxygen, with the concomitant production of four H[sup +] and four electrons. During catalytic turnover, the manganese-oxo cluster steps through five intermediate oxidation states, which are known as the S[sub i] states (i = 0-4). While methods have been found to manipulate the system into S[sub 1] and S[sub 2] in high yields, efficient production of the S[sub 3] state in good yield at high concentration has not yet been achieved. Previous methods have suffered from the requirement of low protein concentration so that actinic flashes are saturating; the use of temperature to control S-state advancement under continuous illumination, which can lead to S-state scrambling; or the use of herbicides that bind to the Q[sub B] site and restrict the system to one turnover. The authors describe here a method for the high-yield production of the S[sub 3] state in highly-concentrated samples of photosystem II, through the use of electron-accepting herbicides which bind to the Q[sub B] site. Redox-active herbicides can be used, in principle, to limit S-state cycling to any desired number of turnovers, given the appropriate herbicide. This work has fundamental methodological implications not only for the study of photosystem II but also for other multistate redox protein systems.

  7. Crawling and Gliding: A Computational Model for Shape-Driven Cell Migration

    PubMed Central

    Niculescu, Ioana; Textor, Johannes; de Boer, Rob J.

    2015-01-01

    Cell migration is a complex process involving many intracellular and extracellular factors, with different cell types adopting sometimes strikingly different morphologies. Modeling realistically behaving cells in tissues is computationally challenging because it implies dealing with multiple levels of complexity. We extend the Cellular Potts Model with an actin-inspired feedback mechanism that allows small stochastic cell rufflings to expand to cell protrusions. This simple phenomenological model produces realistically crawling and deforming amoeboid cells, and gliding half-moon shaped keratocyte-like cells. Both cell types can migrate randomly or follow directional cues. They can squeeze in between other cells in densely populated environments or migrate collectively. The model is computationally light, which allows the study of large, dense and heterogeneous tissues containing cells with realistic shapes and migratory properties. PMID:26488304

  8. Crawling and Gliding: A Computational Model for Shape-Driven Cell Migration.

    PubMed

    Niculescu, Ioana; Textor, Johannes; de Boer, Rob J

    2015-10-01

    Cell migration is a complex process involving many intracellular and extracellular factors, with different cell types adopting sometimes strikingly different morphologies. Modeling realistically behaving cells in tissues is computationally challenging because it implies dealing with multiple levels of complexity. We extend the Cellular Potts Model with an actin-inspired feedback mechanism that allows small stochastic cell rufflings to expand to cell protrusions. This simple phenomenological model produces realistically crawling and deforming amoeboid cells, and gliding half-moon shaped keratocyte-like cells. Both cell types can migrate randomly or follow directional cues. They can squeeze in between other cells in densely populated environments or migrate collectively. The model is computationally light, which allows the study of large, dense and heterogeneous tissues containing cells with realistic shapes and migratory properties.

  9. Hybrid models for the simulation of microstructural evolution influenced by coupled, multiple physical processes.

    SciTech Connect

    Tikare, Veena; Hernandez-Rivera, Efrain; Madison, Jonathan D.; Holm, Elizabeth Ann; Patterson, Burton R.; Homer, Eric R.

    2013-09-01

    Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.

  10. High-Throughput Detection of Prostate Cancer in Histological Sections Using Probabilistic Pairwise Markov Models

    PubMed Central

    Monaco, James P.; Tomaszewski, John E.; Feldman, Michael D.; Hagemann, Ian; Moradi, Mehdi; Mousavi, Parvin; Boag, Alexander; Davidson, Chris; Abolmaesumi, Purang; Madabhushi, Anant

    2010-01-01

    In this paper we present a high-throughput system for detecting regions of carcinoma of the prostate (CaP) in HSs from radical prostatectomies (RPs) using probabilistic pairwise Markov models (PPMMs), a novel type of Markov random field (MRF). At diagnostic resolution a digitized HS can contain 80K×70K pixels — far too many for current automated Gleason grading algorithms to process. However, grading can be separated into two distinct steps: 1) detecting cancerous regions and 2) then grading these regions. The detection step does not require diagnostic resolution and can be performed much more quickly. Thus, we introduce a CaP detection system capable of analyzing an entire digitized whole-mount HS (2×1.75 cm2) in under three minutes (on a desktop computer) while achieving a CaP detection sensitivity and specificity of 0.87 and 0.90, respectively. We obtain this high-throughput by tailoring the system to analyze the HSs at low resolution (8 µm per pixel). This motivates the following algorithm: Step 1) glands are segmented, Step 2) the segmented glands are classified as malignant or benign, and Step 3) the malignant glands are consolidated into continuous regions. The classification of individual glands leverages two features: gland size and the tendency for proximate glands to share the same class. The latter feature describes a spatial dependency which we model using a Markov prior. Typically, Markov priors are expressed as the product of potential functions. Unfortunately, potential functions are mathematical abstractions, and constructing priors through their selection becomes an ad hoc procedure, resulting in simplistic models such as the Potts. Addressing this problem, we introduce PPMMs which formulate priors in terms of probability density functions, allowing the creation of more sophisticated models. To demonstrate the efficacy of our CaP detection system and assess the advantages of using a PPMM prior instead of the Potts, we alternately incorporate

  11. Unusual Yang-Lee edge singularity in the one-dimensional axial-next-to-nearest-neighbor Ising model.

    PubMed

    Dalmazi, D; Sá, F L

    2010-11-01

    We show here for the one-dimensional spin-1/2 axial-next-to-nearest-neighbor Ising model in an external magnetic field that the linear density of Yang-Lee zeros may diverge with critical exponent σ=-2/3 at the Yang-Lee edge singularity. The necessary condition for this unusual behavior is the triple degeneracy of the transfer-matrix eigenvalues. If this condition is absent we have the usual value σ=-1/2 . Analogous results have been found in the literature in the spin-1 Blume-Emery-Griffths model and in the three-state Potts model in a magnetic field with two complex components. Our results support the universality of σ=-2/3 which might be a one-dimensional footprint of a tricritical version of the Yang-Lee edge singularity possibly present also in higher-dimensional spin models.

  12. The replica symmetric solution for orthogonally constrained Heisenberg model on Bethe lattice

    NASA Astrophysics Data System (ADS)

    Concetti, Francesco

    2017-02-01

    In this paper, we study the thermodynamic properties of a system of D-components classical Heisenberg spins lying on the vertices of a random regular graph, with an unconventional first neighbor non-random interaction J{{≤ft({{\\mathbf{S}}i}\\centerdot {{\\mathbf{S}}k}\\right)}2} . We can consider this model as a continuum version of anti-ferromagnetic D-states Potts model. We compute the paramagnetic free energy, using a new approach, presented in this paper for the first time, based on the replica method. Through the linear stability analysis, we obtain an instability line on the temperature-connectivity plane that provides a bound to the appearance of a phase transition. We also argue about the character of the instability observed.

  13. Defect-phase-dynamics approach to statistical domain-growth problem of clock models

    NASA Technical Reports Server (NTRS)

    Kawasaki, K.

    1985-01-01

    The growth of statistical domains in quenched Ising-like p-state clock models with p = 3 or more is investigated theoretically, reformulating the analysis of Ohta et al. (1982) in terms of a phase variable and studying the dynamics of defects introduced into the phase field when the phase variable becomes multivalued. The resulting defect/phase domain-growth equation is applied to the interpretation of Monte Carlo simulations in two dimensions (Kaski and Gunton, 1983; Grest and Srolovitz, 1984), and problems encountered in the analysis of related Potts models are discussed. In the two-dimensional case, the problem is essentially that of a purely dissipative Coulomb gas, with a sq rt t growth law complicated by vertex-pinning effects at small t.

  14. Generalized approximate spin projection calculations of effective exchange integrals of the CaMn4O5 cluster in the S1 and S3 states of the oxygen evolving complex of photosystem II.

    PubMed

    Isobe, H; Shoji, M; Yamanaka, S; Mino, H; Umena, Y; Kawakami, K; Kamiya, N; Shen, J-R; Yamaguchi, K

    2014-06-28

    Full geometry optimizations followed by the vibrational analysis were performed for eight spin configurations of the CaMn4O4X(H2O)3Y (X = O, OH; Y = H2O, OH) cluster in the S1 and S3 states of the oxygen evolution complex (OEC) of photosystem II (PSII). The energy gaps among these configurations obtained by vertical, adiabatic and adiabatic plus zero-point-energy (ZPE) correction procedures have been used for computation of the effective exchange integrals (J) in the spin Hamiltonian model. The J values are calculated by the (1) analytical method and the (2) generalized approximate spin projection (AP) method that eliminates the spin contamination errors of UB3LYP solutions. Using J values derived from these methods, exact diagonalization of the spin Hamiltonian matrix was carried out, yielding excitation energies and spin densities of the ground and lower-excited states of the cluster. The obtained results for the right (R)- and left (L)-opened structures in the S1 and S3 states are found to be consistent with available optical and magnetic experimental results. Implications of the computational results are discussed in relation to (a) the necessity of the exact diagonalization for computations of reliable energy levels, (b) magneto-structural correlations in the CaMn4O5 cluster of the OEC of PSII, (c) structural symmetry breaking in the S1 and S3 states, and (d) the right- and left-handed scenarios for the O-O bond formation for water oxidation.

  15. Simplified lattice model for polypeptide fibrillar transitions

    NASA Astrophysics Data System (ADS)

    Xiao, Xuhui; Wu, Ming-Chya

    2014-10-01

    Polypeptide fibrillar transitions are studied using a simplified lattice model, modified from the three-state Potts model, where uniform residues as spins, placed on a cubic lattice, can interact with neighbors to form coil, helical, sheet, or fibrillar structure. Using the transfer matrix method and numerical calculations, we analyzed the partition function and construct phase diagrams. The model manifests phase transitions among coil, helix, sheet, and fibril through parameterizing bond coupling energy ɛh,ɛs,ɛf, structural entropies sh,ss,sf of helical, sheet, and fibrillar states, and number density ρ. The phase diagrams show the transition sequence is basically governed by ɛh, ɛs, and ɛf, while the transition temperature is determined by the competition among ɛh, ɛs, and ɛf, as well as sh, ss, sf, and ρ. Furthermore, the fibrillation is accompanied with an abrupt phase transition from coil, helix, or sheet to fibril even for short polypeptide length, resembling the feature of nucleation-growth process. The finite-size effect in specific heat at transitions for the nonfibrillation case can be described by the scaling form of lattice model. With rich phase-transition properties, our model provides a useful reference for protein aggregation experiments and modeling.

  16. Role of further-neighbor interactions in modulating the critical behavior of the Ising model with frustration.

    PubMed

    Liu, R M; Zhuo, W Z; Dong, S; Lu, X B; Gao, X S; Qin, M H; Liu, J-M

    2016-03-01

    In this work, we investigate the phase transitions and critical behaviors of the frustrated J(1)-J(2)-J(3) Ising model on the square lattice using Monte Carlo simulations, and particular attention goes to the effect of the second-next-nearest-neighbor interaction J(3) on the phase transition from a disordered state to the single stripe antiferromagnetic state. A continuous Ashkin-Teller-like transition behavior in a certain range of J(3) is identified, while the four-state Potts-critical end point [J(3)/J(1)](C) is estimated based on the analytic method reported in earlier work [Jin, Sen, and Sandvik, Phys. Rev. Lett. 108, 045702 (2012)]. It is suggested that the interaction J(3) can tune the transition temperature and in turn modulate the critical behaviors of the frustrated model. Furthermore, it is revealed that an antiferromagnetic J(3) can stabilize the staggered dimer state via a phase transition of strong first-order character.

  17. Coexistence of interacting opinions in a generalized Sznajd model

    NASA Astrophysics Data System (ADS)

    Timpanaro, André M.; Prado, Carmen P. C.

    2011-08-01

    The Sznajd model is a sociophysics model that mimics the propagation of opinions in a closed society, where the interactions favor groups of agreeing people. It is based in the Ising and Potts ferromagnetic models and, although the original model used only linear chains, it has since been adapted to general networks. This model has a very rich transient, which has been used to model several aspects of elections, but its stationary states are always consensus states. In order to model more complex behaviors, we have, in a recent work, introduced the idea of biases and prejudices to the Sznajd model by generalizing the bounded confidence rule, which is common to many continuous opinion models, to what we called confidence rules. In that work we have found that the mean field version of this model (corresponding to a complete network) allows for stationary states where noninteracting opinions survive, but never for the coexistence of interacting opinions. In the present work, we provide networks that allow for the coexistence of interacting opinions for certain confidence rules. Moreover, we show that the model does not become inactive; that is, the opinions keep changing, even in the stationary regime. This is an important result in the context of understanding how a rule that breeds local conformity is still able to sustain global diversity while avoiding a frozen stationary state. We also provide results that give some insights on how this behavior approaches the mean field behavior as the networks are changed.

  18. Improved spike-sorting by modeling firing statistics and burst-dependent spike amplitude attenuation: a Markov chain Monte Carlo approach.

    PubMed

    Pouzat, Christophe; Delescluse, Matthieu; Viot, Pascal; Diebolt, Jean

    2004-06-01

    Spike-sorting techniques attempt to classify a series of noisy electrical waveforms according to the identity of the neurons that generated them. Existing techniques perform this classification ignoring several properties of actual neurons that can ultimately improve classification performance. In this study, we propose a more realistic spike train generation model. It incorporates both a description of "nontrivial" (i.e., non-Poisson) neuronal discharge statistics and a description of spike waveform dynamics (e.g., the events amplitude decays for short interspike intervals). We show that this spike train generation model is analogous to a one-dimensional Potts spin-glass model. We can therefore tailor to our particular case the computational methods that have been developed in fields where Potts models are extensively used, including statistical physics and image restoration. These methods are based on the construction of a Markov chain in the space of model parameters and spike train configurations, where a configuration is defined by specifying a neuron of origin for each spike. This Markov chain is built such that its unique stationary density is the posterior density of model parameters and configurations given the observed data. A Monte Carlo simulation of the Markov chain is then used to estimate the posterior density. We illustrate the way to build the transition matrix of the Markov chain with a simple, but realistic, model for data generation. We use simulated data to illustrate the performance of the method and to show that this approach can easily cope with neurons firing doublets of spikes and/or generating spikes with highly dynamic waveforms. The method cannot automatically find the "correct" number of neurons in the data. User input is required for this important problem and we illustrate how this can be done. We finally discuss further developments of the method.

  19. Substrate water exchange for the oxygen evolving complex in PSII in the S1, S2, and S3 states.

    PubMed

    Siegbahn, Per E M

    2013-06-26

    Detailed mechanisms for substrate water exchange in the oxygen evolving complex in photosystem II have been determined with DFT methods for large models. Existing interpretations of the experimental water exchange results have been quite different. By many groups, these results have been the main argument against the water oxidation mechanism suggested by DFT, in which the oxygen molecule is formed between a bridging oxo and an oxyl radical ligand in the center of the OEC. That mechanism is otherwise in line with most experiments. The problem has been that the mechanism requires a rather fast exchange of a bridging oxo ligand, which is not a common finding for smaller Mn-containing model systems. However, other groups have actually favored a substrate derived oxo ligand partly based on the same experiments. In the present study, three S-states have been studied, and the rates have been well reproduced by the calculations. The surprising experimental finding that water exchange in S1 is slower than the one in S2 is reproduced and explained. The key to this rate difference is the ease by which one of the manganese centers (Mn3) is reduced. This reduction has to occur to release the substrate water from Mn3. The similar rate of the slow exchange in S2 and S3 has been rationalized on the basis of earlier experiments combined with the present calculations. The results strongly support the previous DFT-suggested water oxidation mechanism.

  20. A MULTISCALE, CELL-BASED FRAMEWORK FOR MODELING CANCER DEVELOPMENT

    SciTech Connect

    JIANG, YI

    2007-01-16

    Cancer remains to be one of the leading causes of death due to diseases. We use a systems approach that combines mathematical modeling, numerical simulation, in vivo and in vitro experiments, to develop a predictive model that medical researchers can use to study and treat cancerous tumors. The multiscale, cell-based model includes intracellular regulations, cellular level dynamics and intercellular interactions, and extracellular level chemical dynamics. The intracellular level protein regulations and signaling pathways are described by Boolean networks. The cellular level growth and division dynamics, cellular adhesion and interaction with the extracellular matrix is described by a lattice Monte Carlo model (the Cellular Potts Model). The extracellular dynamics of the signaling molecules and metabolites are described by a system of reaction-diffusion equations. All three levels of the model are integrated through a hybrid parallel scheme into a high-performance simulation tool. The simulation results reproduce experimental data in both avasular tumors and tumor angiogenesis. By combining the model with experimental data to construct biologically accurate simulations of tumors and their vascular systems, this model will enable medical researchers to gain a deeper understanding of the cellular and molecular interactions associated with cancer progression and treatment.

  1. Observation of Rydberg blockade effects at very high n, n ~ 300 , using strontium n1F3 states

    NASA Astrophysics Data System (ADS)

    Zhang, Xinyue; Dunning, F. B.; Yoshida, Shuhei; Burgdörfer, Joachim

    2015-05-01

    Rydberg blockade at very high n, n ~ 300 , is examined using strontium n1F3 Rydberg atoms excited in a small volume defined by two tightly-focused crossed laser beams. Measurements of the number distribution of Rydberg atoms created show deviations from a Poisson distribution revealing sizeable blockade effects. The statistics of the number distribution are studied using a Monte Carlo method in which the interaction between strontium Rydberg atoms is evaluated by solving the Schrödinger equation within a two-active-electron model. The strength of blockade is analyzed in detail with respect to the alignment of two atoms relative to the laser polarizations. With careful control of the experimental parameters the probability for creating one, and only one, Rydberg atom, P(1) , in the excitation volume can be sufficiently large, P(1) > 0 . 6 , as to enable detailed studies of strongly-coupled Rydberg atom pairs. Research supported by the NSF, the Robert A. Welch Foundation, and the FWF (Austria).

  2. Study of the attractor structure of an agent-based sociological model

    NASA Astrophysics Data System (ADS)

    Timpanaro, André M.; Prado, Carmen P. C.

    2011-03-01

    The Sznajd model is a sociophysics model that is based in the Potts model, and used for describing opinion propagation in a society. It employs an agent-based approach and interaction rules favouring pairs of agreeing agents. It has been successfully employed in modeling some properties and scale features of both proportional and majority elections (see for instance the works of A. T. Bernardes and R. N. Costa Filho), but its stationary states are always consensus states. In order to explain more complicated behaviours, we have modified the bounded confidence idea (introduced before in other opinion models, like the Deffuant model), with the introduction of prejudices and biases (we called this modification confidence rules), and have adapted it to the discrete Sznajd model. This generalized Sznajd model is able to reproduce almost all of the previous versions of the Sznajd model, by using appropriate choices of parameters. We solved the attractor structure of the resulting model in a mean-field approach and made Monte Carlo simulations in a Barabási-Albert network. These simulations show great similarities with the mean-field, for the tested cases of 3 and 4 opinions. The dynamical systems approach that we devised allows for a deeper understanding of the potential of the Sznajd model as an opinion propagation model and can be easily extended to other models, like the voter model. Our modification of the bounded confidence rule can also be readily applied to other opinion propagation models.

  3. Monte Carlo simulation of classical spin models with chaotic billiards.

    PubMed

    Suzuki, Hideyuki

    2013-11-01

    It has recently been shown that the computing abilities of Boltzmann machines, or Ising spin-glass models, can be implemented by chaotic billiard dynamics without any use of random numbers. In this paper, we further numerically investigate the capabilities of the chaotic billiard dynamics as a deterministic alternative to random Monte Carlo methods by applying it to classical spin models in statistical physics. First, we verify that the billiard dynamics can yield samples that converge to the true distribution of the Ising model on a small lattice, and we show that it appears to have the same convergence rate as random Monte Carlo sampling. Second, we apply the billiard dynamics to finite-size scaling analysis of the critical behavior of the Ising model and show that the phase-transition point and the critical exponents are correctly obtained. Third, we extend the billiard dynamics to spins that take more than two states and show that it can be applied successfully to the Potts model. We also discuss the possibility of extensions to continuous-valued models such as the XY model.

  4. Monte Carlo simulation of classical spin models with chaotic billiards

    NASA Astrophysics Data System (ADS)

    Suzuki, Hideyuki

    2013-11-01

    It has recently been shown that the computing abilities of Boltzmann machines, or Ising spin-glass models, can be implemented by chaotic billiard dynamics without any use of random numbers. In this paper, we further numerically investigate the capabilities of the chaotic billiard dynamics as a deterministic alternative to random Monte Carlo methods by applying it to classical spin models in statistical physics. First, we verify that the billiard dynamics can yield samples that converge to the true distribution of the Ising model on a small lattice, and we show that it appears to have the same convergence rate as random Monte Carlo sampling. Second, we apply the billiard dynamics to finite-size scaling analysis of the critical behavior of the Ising model and show that the phase-transition point and the critical exponents are correctly obtained. Third, we extend the billiard dynamics to spins that take more than two states and show that it can be applied successfully to the Potts model. We also discuss the possibility of extensions to continuous-valued models such as the XY model.

  5. Simple model for multiple-choice collective decision making

    NASA Astrophysics Data System (ADS)

    Lee, Ching Hua; Lucas, Andrew

    2014-11-01

    We describe a simple model of heterogeneous, interacting agents making decisions between n ≥2 discrete choices. For a special class of interactions, our model is the mean field description of random field Potts-like models and is effectively solved by finding the extrema of the average energy E per agent. In these cases, by studying the propagation of decision changes via avalanches, we argue that macroscopic dynamics is well captured by a gradient flow along E . We focus on the permutation symmetric case, where all n choices are (on average) the same, and spontaneous symmetry breaking (SSB) arises purely from cooperative social interactions. As examples, we show that bimodal heterogeneity naturally provides a mechanism for the spontaneous formation of hierarchies between decisions and that SSB is a preferred instability to discontinuous phase transitions between two symmetric points. Beyond the mean field limit, exponentially many stable equilibria emerge when we place this model on a graph of finite mean degree. We conclude with speculation on decision making with persistent collective oscillations. Throughout the paper, we emphasize analogies between methods of solution to our model and common intuition from diverse areas of physics, including statistical physics and electromagnetism.

  6. Lateral thinking, from the Hopfield model to cortical dynamics.

    PubMed

    Akrami, Athena; Russo, Eleonora; Treves, Alessandro

    2012-01-24

    Self-organizing attractor networks may comprise the building blocks for cortical dynamics, providing the basic operations of categorization, including analog-to-digital conversion, association and auto-association, which are then expressed as components of distinct cognitive functions depending on the contents of the neural codes in each region. To assess the viability of this scenario, we first review how a local cortical patch may be modeled as an attractor network, in which memory representations are not artificially stored as prescribed binary patterns of activity as in the Hopfield model, but self-organize as continuously graded patterns induced by afferent input. Recordings in macaques indicate that such cortical attractor networks may express retrieval dynamics over cognitively plausible rapid time scales, shorter than those dominated by neuronal fatigue. A cortical network encompassing many local attractor networks, and incorporating a realistic description of adaptation dynamics, may be captured by a Potts model. This network model has the capacity to engage long-range associations into sustained iterative attractor dynamics at a cortical scale, in what may be regarded as a mathematical model of spontaneous lateral thought. This article is part of a Special Issue entitled: Neural Coding.

  7. Determination of electron-impact transfer rate coefficients between argon 1s2 and 1s3 states by laser pump-probe technique

    NASA Astrophysics Data System (ADS)

    Carbone, E. A. D.; Hübner, S.; van der Mullen, J. J. A. M.; Kroesen, G. M. W.; Sadeghi, N.

    2013-10-01

    In a microwave argon plasma, the electron-impact population transfers between the first four excited states of argon are studied by time-resolved laser pump-probe technique. Metastable atoms in the 1s5 state (in Paschen's notation) are selectively pumped up to the 2p3 state, with a nanosecond pulsed dye laser tuned to the 706 nm argon transition and the temporal response of the densities in the 1s3, 1s4 and 1s5 states are monitored by time-resolved laser diode absorption. The electron density and temperature are also measured by Thomson scattering along the plasma column for different pressures. The rate coefficient measured for the 1s3 to 1s2 state transfer, for which only rough estimations exist in the literature is found to be 9 × 10-13 m3 s-1, almost five times larger than the value commonly assumed.

  8. Electron electric dipole moment: Relativistic correlation calculations of the P,T-violation effect in the {sup 3}DELTA{sub 3} state of PtH{sup +}

    SciTech Connect

    Skripnikov, L. V.; Petrov, A. N.; Titov, A. V.; Mosyagin, N. S.

    2009-12-15

    Recently, the molecular cation PtH{sup +} was suggested as a promising candidate for the experimental search for the electron electric dipole moment. For estimating the sensitivity of the experiment on the cation and for interpretation of the experimental results, it is necessary to calculate an effective electric field acting on the electron with good accuracy because the value of the field cannot be obtained experimentally. We have performed relativistic correlation calculations to compute this effective field for the {sup 3}DELTA{sub 3} electronic state of PtH{sup +} as well as spectroscopic properties of four lowest lying states, which are also not measured up to date. The {sup 3}DELTA{sub 3} state is found to be the ground one and {sup 1}SIGMA{sup +} state is the first excited one. The calculated value of the effective electric field acting on an electron is found to be 28 GV/cm.

  9. Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the nu1 and nu2 + nu3 States.

    PubMed

    Kawashima; Colarusso; Zhang; Bernath; Hirota

    1998-11-01

    The nu1 and nu3 bands of D11BO and the nu1 band of D10BO were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an ac discharge in a mixture of BCl3, D2, O2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the nu1 and nu2 + nu3 states, and an analysis of the observed nu1 spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the nu1 state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6 and O2. The three fundamental bands and a hot band of D11BO, as well as the nu1 and nu3 bands of D10BO, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D2 with HBO at temperatures above 800 degreesC in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, nu1, nu2, nu3, and nu2 + nu3 states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989, J. Mol. Spectrosc. 133, 116-127). Copyright 1998 Academic Press.

  10. Modeling the Controlled Recrystallization of Particle-Containing Aluminum Alloys

    NASA Astrophysics Data System (ADS)

    Adam, Khaled; Root, Jameson M.; Long, Zhengdong; Field, David P.

    2017-01-01

    The recrystallized fraction for AA7050 during the solution heat treatment is highly dependent upon the history of deformation during thermomechanical processing. In this work, a state variable model was developed to predict the recrystallization volume fraction as a function of processing parameters. Particle stimulated nucleation (PSN) was observed as a dominant mechanism of recrystallization in AA7050. The mesoscale Monte Carlo Potts model was used to simulate the evolved microstructure during static recrystallization with the given recrystallization fraction determined already by the state variable model for AA7050 alloy. The spatial inhomogeneity of nucleation is obtained from the measurement of the actual second-phase particle distribution in the matrix identified using backscattered electron (BSE) imaging. The state variable model showed good fit with the experimental results, and the simulated microstructures were quantitatively comparable to the experimental results for the PSN recrystallized microstructure of 7050 aluminum alloy. It was also found that the volume fraction of recrystallization did not proceed as dictated by the Avrami equation in this alloy because of the presence of the growth inhibitors.

  11. Modeling the Controlled Recrystallization of Particle-Containing Aluminum Alloys

    NASA Astrophysics Data System (ADS)

    Adam, Khaled; Root, Jameson M.; Long, Zhengdong; Field, David P.

    2016-12-01

    The recrystallized fraction for AA7050 during the solution heat treatment is highly dependent upon the history of deformation during thermomechanical processing. In this work, a state variable model was developed to predict the recrystallization volume fraction as a function of processing parameters. Particle stimulated nucleation (PSN) was observed as a dominant mechanism of recrystallization in AA7050. The mesoscale Monte Carlo Potts model was used to simulate the evolved microstructure during static recrystallization with the given recrystallization fraction determined already by the state variable model for AA7050 alloy. The spatial inhomogeneity of nucleation is obtained from the measurement of the actual second-phase particle distribution in the matrix identified using backscattered electron (BSE) imaging. The state variable model showed good fit with the experimental results, and the simulated microstructures were quantitatively comparable to the experimental results for the PSN recrystallized microstructure of 7050 aluminum alloy. It was also found that the volume fraction of recrystallization did not proceed as dictated by the Avrami equation in this alloy because of the presence of the growth inhibitors.

  12. Building toy models of proteins using coevolutionary information

    NASA Astrophysics Data System (ADS)

    Cheng, Ryan; Raghunathan, Mohit; Onuchic, Jose

    2015-03-01

    Recent developments in global statistical methodologies have advanced the analysis of large collections of protein sequences for coevolutionary information. Coevolution between amino acids in a protein arises from compensatory mutations that are needed to maintain the stability or function of a protein over the course of evolution. This gives rise to quantifiable correlations between amino acid positions within the multiple sequence alignment of a protein family. Here, we use Direct Coupling Analysis (DCA) to infer a Potts model Hamiltonian governing the correlated mutations in a protein family to obtain the sequence-dependent interaction energies of a toy protein model. We demonstrate that this methodology predicts residue-residue interaction energies that are consistent with experimental mutational changes in protein stabilities as well as other computational methodologies. Furthermore, we demonstrate with several examples that DCA could be used to construct a structure-based model that quantitatively agrees with experimental data on folding mechanisms. This work serves as a potential framework for generating models of proteins that are enriched by evolutionary data that can potentially be used to engineer key functional motions and interactions in protein systems. This research has been supported by the NSF INSPIRE award MCB-1241332 and by the CTBP sponsored by the NSF (Grant PHY-1427654).

  13. Geometric entanglement and quantum phase transitions in two-dimensional quantum lattice models

    NASA Astrophysics Data System (ADS)

    Shi, Qian-Qian; Wang, Hong-Lei; Li, Sheng-Hao; Cho, Sam Young; Batchelor, Murray T.; Zhou, Huan-Qiang

    2016-06-01

    Geometric entanglement (GE), as a measure of multipartite entanglement, has been investigated as a universal tool to detect phase transitions in quantum many-body lattice models. In this paper we outline a systematic method to compute GE for two-dimensional (2D) quantum many-body lattice models based on the translational invariant structure of infinite projected entangled pair state (iPEPS) representations. By employing this method, the q -state quantum Potts model on the square lattice with q ∈{2 ,3 ,4 ,5 } is investigated as a prototypical example. Further, we have explored three 2D Heisenberg models: the antiferromagnetic spin-1/2 X X X and anisotropic X Y X models in an external magnetic field, and the antiferromagnetic spin-1 X X Z model. We find that continuous GE does not guarantee a continuous phase transition across a phase transition point. We observe and thus classify three different types of continuous GE across a phase transition point: (i) GE is continuous with maximum value at the transition point and the phase transition is continuous, (ii) GE is continuous with maximum value at the transition point but the phase transition is discontinuous, and (iii) GE is continuous with nonmaximum value at the transition point and the phase transition is continuous. For the models under consideration, we find that the second and the third types are related to a point of dual symmetry and a fully polarized phase, respectively.

  14. Duality methods in networks, computer science models, and disordered condensed matter systems

    NASA Astrophysics Data System (ADS)

    Mitchell, Joseph Dan

    In this thesis, I explore lattice independent duality and systems to which it can be applied. I first demonstrate classical duality on models in an external field, including the Ising, Potts, and x -- y models, showing in particular how this modifies duality to be lattice independent and applicable to networks. I then present a novel application of duality on the boolean satsifiability problem, one of the most important problems in computational complexity, through mapping to a low temperature Ising model. This establishes the equivalence between boolean satisfiability and a problem of enumerating the positive solutions to a Diophantine system of equations. I continue by combining duality with a prominent tool for models on networks, belief propagation, deriving a new message passing procedure, dual belief propagation. In the final part of my thesis, I shift to propose and examine a semiclassical model, the two-component Coulomb glass model, which can explain the giant magnetoresistance peak present in disordered films near a superconductor-insulator transition as the effect of competition between single particle and localized pair transport. I numerically analyze the density of states and transport properties of this model.

  15. Dynamical systems approach to the study of a sociophysics agent-based model

    SciTech Connect

    Timpanaro, Andre M.; Prado, Carmen P. C.

    2011-03-24

    The Sznajd model is a Potts-like model that has been studied in the context of sociophysics [1,2](where spins are interpreted as opinions). In a recent work [3], we generalized the Sznajd model to include assymetric interactions between the spins (interpreted as biases towards opinions) and used dynamical systems techniques to tackle its mean-field version, given by the flow: {eta}{sub {sigma}} = {Sigma}{sub {sigma}}'{sup M} = 1{eta}{sub {sigma}}{eta}{sigma}'({eta}{sub {sigma}}{rho}{sigma}'{yields}{sigma}-{sigma}'{rho}{sigma}{yields}{sigma}').Where hs is the proportion of agents with opinion (spin){sigma}', M is the number of opinions and {sigma}'{yields}{sigma}' is the probability weight for an agent with opinion {sigma} being convinced by another agent with opinion {sigma}'. We made Monte Carlo simulations of the model in a complex network (using Barabasi-Albert networks [4]) and they displayed the same attractors than the mean-field. Using linear stability analysis, we were able to determine the mean-field attractor structure analytically and to show that it has connections with well known graph theory problems (maximal independent sets and positive fluxes in directed graphs). Our dynamical systems approach is quite simple and can be used also in other models, like the voter model.

  16. Dynamical systems approach to the study of a sociophysics agent-based model

    NASA Astrophysics Data System (ADS)

    Timpanaro, André M.; Prado, Carmen P. C.

    2011-03-01

    The Sznajd model is a Potts-like model that has been studied in the context of sociophysics [1,2] (where spins are interpreted as opinions). In a recent work [3], we generalized the Sznajd model to include assymetric interactions between the spins (interpreted as biases towards opinions) and used dynamical systems techniques to tackle its mean-field version, given by the flow: ησ = ∑ σ' = 1Mησησ'(ησρσ'→σ-σ'ρσ→σ'). Where hs is the proportion of agents with opinion (spin) σ', M is the number of opinions and σ'→σ' is the probability weight for an agent with opinion σ being convinced by another agent with opinion σ'. We made Monte Carlo simulations of the model in a complex network (using Barabási-Albert networks [4]) and they displayed the same attractors than the mean-field. Using linear stability analysis, we were able to determine the mean-field attractor structure analytically and to show that it has connections with well known graph theory problems (maximal independent sets and positive fluxes in directed graphs). Our dynamical systems approach is quite simple and can be used also in other models, like the voter model.

  17. Ashkin-Teller model and diverse opinion phase transitions on multiplex networks

    NASA Astrophysics Data System (ADS)

    Jang, S.; Lee, J. S.; Hwang, S.; Kahng, B.

    2015-08-01

    Multiplex networks (MNs) have become a platform of recent research in network sciences because networks in many real-world systems interact and function together. One of the main scientific issues in MNs is how the interdependence changes the emerging patterns or phase transitions. Until now, studies of such an issue have concentrated on cluster-breakdown phenomena, aiming to understand the resilience of the system under random failures of edges. These studies have revealed that various phase transition (PT) types emerge in MNs. However, such studies are rather limited to percolation-related problems, i.e., the limit q →1 of the q -state Potts model. Thus, a systematic study of opinion formation in social networks with the effect of interdependence between different social communities, which may be seen as the study of the emerging pattern of the Ising model on MNs, is needed. Here we study a well-known spin model called the Ashkin-Teller (AT) model in scale-free networks. The AT model can be regarded as a model for interacting systems between two species of Ising spins placed on respective layers in double-layer networks. Our study shows that, depending on the interlayer coupling strength and a network topology, unconventional PT patterns can also emerge in interaction-based phenomena: continuous, discontinuous, successive, and mixed-order PTs and a continuous PT not satisfying the scaling relation. The origins of such rich PT patterns are elucidated in the framework of Landau-Ginzburg theory.

  18. Phase transition in a spatial Lotka-Volterra model

    NASA Astrophysics Data System (ADS)

    Szabó, György; Czárán, Tamás

    2001-06-01

    Spatial evolution is investigated in a simulated system of nine competing and mutating bacterium strains, which mimics the biochemical war among bacteria capable of producing two different bacteriocins (toxins) at most. Random sequential dynamics on a square lattice is governed by very symmetrical transition rules for neighborhood invasions of sensitive strains by killers, killers by resistants, and resistants by sensitives. The community of the nine possible toxicity/resistance types undergoes a critical phase transition as the uniform transmutation rates between the types decreases below a critical value Pc above that all the nine types of strains coexist with equal frequencies. Passing the critical mutation rate from above, the system collapses into one of three topologically identical (degenerated) states, each consisting of three strain types. Of the three possible final states each accrues with equal probability and all three maintain themselves in a self-organizing polydomain structure via cyclic invasions. Our Monte Carlo simulations support that this symmetry-breaking transition belongs to the universality class of the three-state Potts model.

  19. Modeling of Droplet Evaporation on Superhydrophobic Surfaces.

    PubMed

    Fernandes, Heitor C M; Vainstein, Mendeli H; Brito, Carolina

    2015-07-14

    When a drop of water is placed on a rough surface, there are two possible extreme regimes of wetting: the one called Cassie-Baxter (CB) with air pockets trapped underneath the droplet and the one called the Wenzel (W) state characterized by the homogeneous wetting of the surface. A way to investigate the transition between these two states is by means of evaporation experiments, in which the droplet starts in a CB state and, as its volume decreases, penetrates the surface's grooves, reaching a W state. Here we present a theoretical model based on the global interfacial energies for CB and W states that allows us to predict the thermodynamic wetting state of the droplet for a given volume and surface texture. We first analyze the influence of the surface geometric parameters on the droplet's final wetting state with constant volume and show that it depends strongly on the surface texture. We then vary the volume of the droplet, keeping the geometric surface parameters fixed to mimic evaporation and show that the drop experiences a transition from the CB to the W state when its volume reduces, as observed in experiments. To investigate the dependency of the wetting state on the initial state of the droplet, we implement a cellular Potts model in three dimensions. Simulations show very good agreement with theory when the initial state is W, but it disagrees when the droplet is initialized in a CB state, in accordance with previous observations which show that the CB state is metastable in many cases. Both simulations and the theoretical model can be modified to study other types of surfaces.

  20. Spanning forests and OSP(N|2M) -invariant σ-models

    NASA Astrophysics Data System (ADS)

    Caracciolo, Sergio; Sokal, Alan D.; Sportiello, Andrea

    2017-03-01

    The present paper is part of our ongoing work on OSP(N|2M) supersymmetric σ-models, their relation with the Potts model at q  =  0 and spanning forests, and the rigorous analytic continuation of the partition function as an entire function of N  ‑  2M, a feature first predicted by Parisi and Sourlas in the 1970s. Here we accomplish two main steps. First, we analyze in detail the role of the Ising variables that arise when the constraint in the OSP(1|2) model is solved, and we point out two situations in which the Ising and forest variables decouple. Second, we establish the analytic continuation for the OSP(N|2M) model in some special cases: when the underlying graph is a forest, and for the Nienhuis action on a cubic graph. We also make progress in understanding the series-parallel graphs. Dedicated to our friend Tony Guttmann on the occasion of his  70th birthday

  1. Modeling Of Microstructure Evolution Of BCC Metals Subjected To Severe Plastic Deformation

    NASA Astrophysics Data System (ADS)

    Svyetlichnyy, Dmytro; Majta, Janusz; Muszka, Krzysztof; Łach, Łukasz

    2011-01-01

    Prediction of microstructure evolution and properties of ultrafine-grained materials is one of the most significant, current problems in materials science. Several advanced methods of analysis can be applied for this issue: vertex models, phase field models, Monte Carlo Potts, finite element method (FEM) discrete element method (DEM) and finally cellular automata (CA). The main asset of the CA is ability for a close correlation of the microstructure with the mechanical properties in micro- and meso-scale simulation. Joining CA with the DEM undoubtedly improves accuracy of modeling of coupled phenomena during the innovative forming processes in both micro- and macro-scale. Deformation in micro-scale shows anisotropy, which connected with that the polycrystalline material contains grains with different crystallographic orientation, and grain deformation is depended from configuration of directions of main stresses and axis of grain. Then, CA and DEM must be joint solutions of crystal plasticity theory. In the present model, deformation in macro-scale is transferred to meso-sale, where a block contains several, score or hundreds grains, and then is applied in micro-scale to each grain. Creation of low-angle boundaries and their development into high-angle boundaries are simulated by the cellular automata on the base of calculations using finite element method and crystal plasticity theory. The idea proposed in this study and particular solutions are discussed for the case of ultrafine-grained low-carbon steel.

  2. Modeling Of Microstructure Evolution Of BCC Metals Subjected To Severe Plastic Deformation

    SciTech Connect

    Svyetlichnyy, Dmytro; Majta, Janusz; Muszka, Krzysztof; Lach, Lukasz

    2011-01-17

    Prediction of microstructure evolution and properties of ultrafine-grained materials is one of the most significant, current problems in materials science. Several advanced methods of analysis can be applied for this issue: vertex models, phase field models, Monte Carlo Potts, finite element method (FEM) discrete element method (DEM) and finally cellular automata (CA). The main asset of the CA is ability for a close correlation of the microstructure with the mechanical properties in micro- and meso-scale simulation. Joining CA with the DEM undoubtedly improves accuracy of modeling of coupled phenomena during the innovative forming processes in both micro- and macro-scale. Deformation in micro-scale shows anisotropy, which connected with that the polycrystalline material contains grains with different crystallographic orientation, and grain deformation is depended from configuration of directions of main stresses and axis of grain. Then, CA and DEM must be joint solutions of crystal plasticity theory. In the present model, deformation in macro-scale is transferred to meso-sale, where a block contains several, score or hundreds grains, and then is applied in micro-scale to each grain. Creation of low-angle boundaries and their development into high-angle boundaries are simulated by the cellular automata on the base of calculations using finite element method and crystal plasticity theory. The idea proposed in this study and particular solutions are discussed for the case of ultrafine-grained low-carbon steel.

  3. Critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field.

    PubMed

    Dias, D A; Xavier, J C; Plascak, J A

    2017-01-01

    The phase diagram and the critical behavior of the spin-1 and the spin-3/2 two-dimensional Baxter-Wu model in a crystal field are studied by conventional finite-size scaling and conformal invariance theory. The phase diagram of this model, for the spin-1 case, is qualitatively the same as those of the diluted 4-states Potts model and the spin-1 Blume-Capel model. However, for the present case, instead of a tricritical point one has a pentacritical point for a finite value of the crystal field, in disagreement with previous work based on finite-size calculations. On the other hand, for the spin-3/2 case, the phase diagram is much richer and can present, besides a pentacritical point, an additional multicritical end point. Our results also support that the universality class of the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field is the same as the pure Baxter-Wu model, even at the multicritical points.

  4. Critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field

    NASA Astrophysics Data System (ADS)

    Dias, D. A.; Xavier, J. C.; Plascak, J. A.

    2017-01-01

    The phase diagram and the critical behavior of the spin-1 and the spin-3/2 two-dimensional Baxter-Wu model in a crystal field are studied by conventional finite-size scaling and conformal invariance theory. The phase diagram of this model, for the spin-1 case, is qualitatively the same as those of the diluted 4-states Potts model and the spin-1 Blume-Capel model. However, for the present case, instead of a tricritical point one has a pentacritical point for a finite value of the crystal field, in disagreement with previous work based on finite-size calculations. On the other hand, for the spin-3/2 case, the phase diagram is much richer and can present, besides a pentacritical point, an additional multicritical end point. Our results also support that the universality class of the critical behavior of the spin-1 and spin-3/2 Baxter-Wu model in a crystal field is the same as the pure Baxter-Wu model, even at the multicritical points.

  5. Genetic demixing and evolution in linear stepping stone models

    PubMed Central

    Korolev, K. S.; Avlund, Mikkel; Hallatschek, Oskar; Nelson, David R.

    2010-01-01

    Results for mutation, selection, genetic drift, and migration in a one-dimensional continuous population are reviewed and extended. The population is described by a continuous limit of the stepping stone model, which leads to the stochastic Fisher-Kolmogorov-Petrovsky-Piscounov equation with additional terms describing mutations. Although the stepping stone model was first proposed for population genetics, it is closely related to “voter models” of interest in nonequilibrium statistical mechanics. The stepping stone model can also be regarded as an approximation to the dynamics of a thin layer of actively growing pioneers at the frontier of a colony of micro-organisms undergoing a range expansion on a Petri dish. The population tends to segregate into monoallelic domains. This segregation slows down genetic drift and selection because these two evolutionary forces can only act at the boundaries between the domains; the effects of mutation, however, are not significantly affected by the segregation. Although fixation in the neutral well-mixed (or “zero-dimensional”) model occurs exponentially in time, it occurs only algebraically fast in the one-dimensional model. An unusual sublinear increase is also found in the variance of the spatially averaged allele frequency with time. If selection is weak, selective sweeps occur exponentially fast in both well-mixed and one-dimensional populations, but the time constants are different. The relatively unexplored problem of evolutionary dynamics at the edge of an expanding circular colony is studied as well. Also reviewed are how the observed patterns of genetic diversity can be used for statistical inference and the differences are highlighted between the well-mixed and one-dimensional models. Although the focus is on two alleles or variants, q-allele Potts-like models of gene segregation are considered as well. Most of the analytical results are checked with simulations and could be tested against recent spatial

  6. Genetic demixing and evolution in linear stepping stone models

    NASA Astrophysics Data System (ADS)

    Korolev, K. S.; Avlund, Mikkel; Hallatschek, Oskar; Nelson, David R.

    2010-04-01

    Results for mutation, selection, genetic drift, and migration in a one-dimensional continuous population are reviewed and extended. The population is described by a continuous limit of the stepping stone model, which leads to the stochastic Fisher-Kolmogorov-Petrovsky-Piscounov equation with additional terms describing mutations. Although the stepping stone model was first proposed for population genetics, it is closely related to “voter models” of interest in nonequilibrium statistical mechanics. The stepping stone model can also be regarded as an approximation to the dynamics of a thin layer of actively growing pioneers at the frontier of a colony of micro-organisms undergoing a range expansion on a Petri dish. The population tends to segregate into monoallelic domains. This segregation slows down genetic drift and selection because these two evolutionary forces can only act at the boundaries between the domains; the effects of mutation, however, are not significantly affected by the segregation. Although fixation in the neutral well-mixed (or “zero-dimensional”) model occurs exponentially in time, it occurs only algebraically fast in the one-dimensional model. An unusual sublinear increase is also found in the variance of the spatially averaged allele frequency with time. If selection is weak, selective sweeps occur exponentially fast in both well-mixed and one-dimensional populations, but the time constants are different. The relatively unexplored problem of evolutionary dynamics at the edge of an expanding circular colony is studied as well. Also reviewed are how the observed patterns of genetic diversity can be used for statistical inference and the differences are highlighted between the well-mixed and one-dimensional models. Although the focus is on two alleles or variants, q -allele Potts-like models of gene segregation are considered as well. Most of the analytical results are checked with simulations and could be tested against recent spatial

  7. Spatial Modeling of Drug Delivery Routes for Treatment of Disseminated Ovarian Cancer.

    PubMed

    Winner, Kimberly R Kanigel; Steinkamp, Mara P; Lee, Rebecca J; Swat, Maciej; Muller, Carolyn Y; Moses, Melanie E; Jiang, Yi; Wilson, Bridget S

    2016-03-15

    In ovarian cancer, metastasis is typically confined to the peritoneum. Surgical removal of the primary tumor and macroscopic secondary tumors is a common practice, but more effective strategies are needed to target microscopic spheroids persisting in the peritoneal fluid after debulking surgery. To treat this residual disease, therapeutic agents can be administered by either intravenous or intraperitoneal infusion. Here, we describe the use of a cellular Potts model to compare tumor penetration of two classes of drugs (cisplatin and pertuzumab) when delivered by these two alternative routes. The model considers the primary route when the drug is administered either intravenously or intraperitoneally, as well as the subsequent exchange into the other delivery volume as a secondary route. By accounting for these dynamics, the model revealed that intraperitoneal infusion is the markedly superior route for delivery of both small-molecule and antibody therapies into microscopic, avascular tumors typical of patients with ascites. Small tumors attached to peritoneal organs, with vascularity ranging from 2% to 10%, also show enhanced drug delivery via the intraperitoneal route, even though tumor vessels can act as sinks during the dissemination of small molecules. Furthermore, we assessed the ability of the antibody to enter the tumor by in silico and in vivo methods and suggest that optimization of antibody delivery is an important criterion underlying the efficacy of these and other biologics. The use of both delivery routes may provide the best total coverage of tumors, depending on their size and vascularity.

  8. Investigation of SIBM driven recrystallization in alpha Zirconium based on EBSD data and Monte Carlo modeling

    NASA Astrophysics Data System (ADS)

    Jedrychowski, M.; Bacroix, B.; Salman, O. U.; Tarasiuk, J.; Wronski, S.

    2015-08-01

    The work focuses on the influence of moderate plastic deformation on subsequent partial recrystallization of hexagonal zirconium (Zr702). In the considered case, strain induced boundary migration (SIBM) is assumed to be the dominating recrystallization mechanism. This hypothesis is analyzed and tested in detail using experimental EBSD-OIM data and Monte Carlo computer simulations. An EBSD investigation is performed on zirconium samples, which were channel-die compressed in two perpendicular directions: normal direction (ND) and transverse direction (TD) of the initial material sheet. The maximal applied strain was below 17%. Then, samples were briefly annealed in order to achieve a partly recrystallized state. Obtained EBSD data were analyzed in terms of texture evolution associated with a microstructural characterization, including: kernel average misorientation (KAM), grain orientation spread (GOS), twinning, grain size distributions, description of grain boundary regions. In parallel, Monte Carlo Potts model combined with experimental microstructures was employed in order to verify two main recrystallization scenarios: SIBM driven growth from deformed sub-grains and classical growth of recrystallization nuclei. It is concluded that simulation results provided by the SIBM model are in a good agreement with experimental data in terms of texture as well as microstructural evolution.

  9. Spatial modelling of brief and long interactions between T cells and dendritic cells.

    PubMed

    Beltman, Joost B; Marée, Athanasius F M; de Boer, Rob J

    2007-06-01

    In the early phases of an immune response, T cells of appropriate antigen specificity become activated by antigen-presenting cells in secondary lymphoid organs. Two-photon microscopy imaging experiments have shown that this stimulation occurs in distinct stages during which T cells exhibit different motilities and interactions with dendritic cells (DCs). In this paper, we utilize the Cellular Potts Model, a model formalism that takes cell shapes and cellular interactions explicitly into account, to simulate the dynamics of, and interactions between, T cells and DCs in the lymph node paracortex. Our three-dimensional simulations suggest that the initial decrease in T-cell motility after antigen appearance is due to "stop signals" transmitted by activated DCs to T cells. The long-lived interactions that occur at a later stage can only be explained by the presence of both stop signals and a high adhesion between specific T cells and antigen-bearing DCs. Furthermore, our results indicate that long-lasting contacts with T cells are promoted when DCs retract dendrites that detect a specific contact at lower velocities than other dendrites. Finally, by performing long simulations (after prior fitting to short time scale data) we are able to provide an estimate of the average contact duration between T cells and DCs.

  10. Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures.

    PubMed

    Shoji, Mitsuo; Isobe, Hiroshi; Nakajima, Takahito; Shigeta, Yasuteru; Suga, Michihiro; Akita, Fusamichi; Shen, Jian-Ren; Yamaguchi, Kizashi

    2017-03-09

    Large-scale QM/MM calculations were performed to elucidate an optimized geometrical structure of a CaMn4O5 cluster with and without water insertion in the S3 state of the oxygen evolving complex (OEC) of photosystem II (PSII). The left (L)-opened structure was found to be stable under the assumption of no hydroxide anion insertion in the S3 state, whereas the right (R)-opened structure became more stable if one water molecule is inserted to the Mn4Ca cluster. The optimized Mna(4)-Mnd(1) distance determined by QM/MM was about 5.0 Å for the S3 structure without an inserted hydroxide anion, but this is elongated by 0.2-0.3 Å after insertion. These computational results are discussed in relation to the possible mechanisms of O-O bond formation in water oxidation by the OEC of PSII.

  11. FT-IR Characterization of the Light-Induced Ni-L2 and Ni-L3 States of [NiFe] Hydrogenase from Desulfovibrio vulgaris Miyazaki F.

    PubMed

    Tai, Hulin; Nishikawa, Koji; Inoue, Seiya; Higuchi, Yoshiki; Hirota, Shun

    2015-10-29

    Different light-induced Ni-L states of [NiFe] hydrogenase from its Ni-C state have previously been observed by EPR spectroscopy. Herein, we succeeded in detecting simultaneously two Ni-L states of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F by FT-IR spectroscopy. A new light-induced νCO band at 1890 cm(-1) and νCN bands at 2034 and 2047 cm(-1) were detected in the FT-IR spectra of the H2-activated enzyme under N2 atmosphere at basic conditions, in addition to the 1910 cm(-1) νCO band and 2047 and 2061 cm(-1) νCN bands of the Ni-L2 state. The new bands were attributed to the Ni-L3 state by comparison of the FT-IR and EPR spectra. The νCO and νCN frequencies of the Ni-L3 state are the lowest frequencies observed among the corresponding frequencies of standard-type [NiFe] hydrogenases in various redox states. These results indicate that a residue, presumably Ni-coordinating Cys546, is protonated and deprotonated in the Ni-L2 and Ni-L3 states, respectively. Relatively small ΔH (6.4 ± 0.8 kJ mol(-1)) and ΔS (25.5 ± 10.3 J mol(-1) K(-1)) values were obtained for the conversion from the Ni-L2 to Ni-L3 state, which was in agreement with the previous proposals that deprotonation of Cys546 is important for the catalytic reaction of the enzyme.

  12. Theoretical illumination of water-inserted structures of the CaMn4O5 cluster in the S2 and S3 states of oxygen-evolving complex of photosystem II: full geometry optimizations by B3LYP hybrid density functional.

    PubMed

    Isobe, H; Shoji, M; Yamanaka, S; Umena, Y; Kawakami, K; Kamiya, N; Shen, J-R; Yamaguchi, K

    2012-11-28

    Full geometry optimizations of several inorganic model clusters, CaMn(4)O(4)XYZ(H(2)O)(2) (X, Y, Z = H(2)O, OH(-) or O(2-)), by the use of the B3LYP hybrid density functional theory (DFT) have been performed to illuminate plausible molecular structures of the catalytic site for water oxidation in the S(0), S(1), S(2) and S(3) states of the Kok cycle for the oxygen-evolving complex (OEC) of photosystem II (PSII). Optimized geometries obtained by the energy gradient method have revealed the degree of symmetry breaking of the unstable three-center Mn(a)-X-Mn(d) bond in CaMn(4)O(4)XYZ(H(2)O)(2). The right-elongated (R) Mn(a)-X···Mn(d) and left-elongated (L) Mn(a)···X-Mn(d) structures appear to occupy local minima on a double-well potential for several key intermediates in these states. The effects of insertion of one extra water molecule to the vacant coordination site, Mn(d) (Mn(a)), for R (L) structures have also been examined in detail. The greater stability of the L-type structure over the R-type has been concluded for key intermediates in the S(2) and S(3) states. Implications of the present DFT structures are discussed in relation to previous DFT and related results, together with recent X-ray diffraction results for model compounds of cubane-like OEC cluster of PSII.

  13. Unusual high-spin Fe5 +-Ni3 + state and strong ferromagnetism in the mixed perovskite SrFe0.5Ni0.5O3

    NASA Astrophysics Data System (ADS)

    Fan, Fengren; Li, Zhengwei; Zhao, Zhen; Yang, Ke; Wu, Hua

    2016-12-01

    The charge-spin-orbital state plays a vital role in correlated oxides with mixed transition-metal elements, and it is often a matter of debate. Here, we address this issue for the newly synthesized unusual high-valence perovskite SrFe1 -xNixO3 , using an analysis of crystal-field level diagrams, density functional calculations, and Monte Carlo simulations. We have identified the formal high-spin Fe5 +(t2g 3, S =3 /2 ) and high-spin Ni3 +(t2g 5eg2 , S =3 /2 ) state for SrFe0.5Ni0.5O3 , rather than the previously suggested high-spin Fe4 +(t2g 3eg1, S =2 ) and low-spin Ni4 + (t2g 6, S =0 ) state. Moreover, our model and the present results well explain the observed small lattice variation of SrFe1 -xNixO3 (0 ≤x ≤0.5 ) and the above room temperature ferromagnetic order in SrFe0.5Ni0.5O3 regardless of a Fe-Ni atomic order or disorder.

  14. Computer simulation of topological evolution in 2-d grain growth using a continuum diffuse-interface field model

    SciTech Connect

    Fan, D.; Geng, C.; Chen, L.Q.

    1997-03-01

    The local kinetics and topological phenomena during normal grain growth were studied in two dimensions by computer simulations employing a continuum diffuse-interface field model. The relationships between topological class and individual grain growth kinetics were examined, and compared with results obtained previously from analytical theories, experimental results and Monte Carlo simulations. It was shown that both the grain-size and grain-shape (side) distributions are time-invariant and the linear relationship between the mean radii of individual grains and topological class n was reproduced. The moments of the shape distribution were determined, and the differences among the data from soap froth. Potts model and the present simulation were discussed. In the limit when the grain size goes to zero, the average number of grain edges per grain is shown to be between 4 and 5, implying the direct vanishing of 4- and 5-sided grains, which seems to be consistent with recent experimental observations on thin films. Based on the simulation results, the conditions for the applicability of the familiar Mullins-Von Neumann law and the Hillert`s equation were discussed.

  15. Probabilistic model based error correction in a set of various mutant sequences analyzed by next-generation sequencing.

    PubMed

    Aita, Takuyo; Ichihashi, Norikazu; Yomo, Tetsuya

    2013-12-01

    To analyze the evolutionary dynamics of a mutant population in an evolutionary experiment, it is necessary to sequence a vast number of mutants by high-throughput (next-generation) sequencing technologies, which enable rapid and parallel analysis of multikilobase sequences. However, the observed sequences include many errors of base call. Therefore, if next-generation sequencing is applied to analysis of a heterogeneous population of various mutant sequences, it is necessary to discriminate between true bases as point mutations and errors of base call in the observed sequences, and to subject the sequences to error-correction processes. To address this issue, we have developed a novel method of error correction based on the Potts model and a maximum a posteriori probability (MAP) estimate of its parameters corresponding to the "true sequences". Our method of error correction utilizes (1) the "quality scores" which are assigned to individual bases in the observed sequences and (2) the neighborhood relationship among the observed sequences mapped in sequence space. The computer experiments of error correction of artificially generated sequences supported the effectiveness of our method, showing that 50-90% of errors were removed. Interestingly, this method is analogous to a probabilistic model based method of image restoration developed in the field of information engineering.

  16. Statistical Models, Yang-Baxter Equation and Related Topics - Proceedings of the Satellite MEeting of STATPHYS-19; Symmetry, Statistical, Mechanical Models and Applications - Proceedings of the Seventh Nankai Workshop

    NASA Astrophysics Data System (ADS)

    Ge, M. L.; et al.

    1996-09-01

    The Table of Contents for the full book PDF is as follows: * Preface * Part I: Satellite Meeting of STATPHYS-19 * Boundary Yang-Baxter in the RSOS/SOS Representation * Quantum Domains in Ferromagnetic Anisotropic Heisenberg Chains * The Generalized Chiral Clock Model and its Phase Diagram * Algebraic Solution of the Coincidence Problem for Crystals and Quasicrystals * Reflection Equations and Surface Critical Phenomena * Fully Packed Loop Models * Quantum Field Theories in terms of Group-Valued Local Fields: An Overview * C-Statiscal Transition Transforms of the Heisenberg Spin Chain and Braided Symmetry * U(1)-Invariant Local and Integrable Lattice Formulation of the Massive Thirring Model * Corner Transfer Matrices and Novel Polynomials * Rigorous and Numerical Results on Two-Dimensional Oriented Self-Avoiding Walks * The Price for Quantum Group Symmetry: Chiral Versus 2D WZNW Model * Integrable Zn-Chiral Potts Model : The Missing Rapidity-Momentum Relation * Dilute Algebras and Solvable Lattice Models * Falicov-Kimball Model: Ground States and Flux Phase Problem * Mutual Exclusion Statistics in the Exactly Solvable Model of the Mott Metal-Insulator Transition * Quantum Group and the Hofstadter Problem * Domain Walls in the Spin-S Quantum Ising Chain * Quantization of Nonultralocal Models - Generalization of the Theorem for the Multiple Coproduct * Multipoint Functions(Form-factors) of Quantum sine-Gordon Field with Boundary * Three-Dimensional Vertex Model * Probability of Phase Separation and Two Point Temperature Correlation Functions for the Bose Gas with Delta Interaction * On the Fundamental Invariant of the Hecke Algebra Hn(q) * Ternary Z3-Graded Algebras and New Gauge Theories * Thermodynamics of Integrable Quantum Chains : Free Energy and Correlation Lengths * Quantum Integrable Systems and Classical Discrete Nonlinear Dynamics * Quantum Jacobi-Trudi Formula and Analytic Bethe Ansatz * On Boundary Condition of Single Particle and the Spectrum of Many

  17. A BAYESIAN HIERARCHICAL SPATIAL MODEL FOR DENTAL CARIES ASSESSMENT USING NON-GAUSSIAN MARKOV RANDOM FIELDS

    PubMed Central

    Jin, Ick Hoon; Yuan, Ying; Bandyopadhyay, Dipankar

    2016-01-01

    Research in dental caries generates data with two levels of hierarchy: that of a tooth overall and that of the different surfaces of the tooth. The outcomes often exhibit spatial referencing among neighboring teeth and surfaces, i.e., the disease status of a tooth or surface might be influenced by the status of a set of proximal teeth/surfaces. Assessments of dental caries (tooth decay) at the tooth level yield binary outcomes indicating the presence/absence of teeth, and trinary outcomes at the surface level indicating healthy, decayed, or filled surfaces. The presence of these mixed discrete responses complicates the data analysis under a unified framework. To mitigate complications, we develop a Bayesian two-level hierarchical model under suitable (spatial) Markov random field assumptions that accommodates the natural hierarchy within the mixed responses. At the first level, we utilize an autologistic model to accommodate the spatial dependence for the tooth-level binary outcomes. For the second level and conditioned on a tooth being non-missing, we utilize a Potts model to accommodate the spatial referencing for the surface-level trinary outcomes. The regression models at both levels were controlled for plausible covariates (risk factors) of caries, and remain connected through shared parameters. To tackle the computational challenges in our Bayesian estimation scheme caused due to the doubly-intractable normalizing constant, we employ a double Metropolis-Hastings sampler. We compare and contrast our model performances to the standard non-spatial (naive) model using a small simulation study, and illustrate via an application to a clinical dataset on dental caries. PMID:27807470

  18. 18 CFR 740.3 - State applications.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... water management planning program, or modifications thereto, as required by § 740.4(a); (3) A work plan of the major program activities of the State water management planning program which targets... 18 Conservation of Power and Water Resources 2 2012-04-01 2012-04-01 false State applications....

  19. 18 CFR 740.3 - State applications.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... water management planning program, or modifications thereto, as required by § 740.4(a); (3) A work plan of the major program activities of the State water management planning program which targets... 18 Conservation of Power and Water Resources 2 2013-04-01 2012-04-01 true State applications....

  20. 18 CFR 740.3 - State applications.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... water management planning program, or modifications thereto, as required by § 740.4(a); (3) A work plan of the major program activities of the State water management planning program which targets... 18 Conservation of Power and Water Resources 2 2014-04-01 2014-04-01 false State applications....

  1. 18 CFR 740.3 - State applications.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... water management planning program, or modifications thereto, as required by § 740.4(a); (3) A work plan of the major program activities of the State water management planning program which targets... 18 Conservation of Power and Water Resources 2 2011-04-01 2011-04-01 false State applications....

  2. 18 CFR 740.3 - State applications.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... water management planning program, or modifications thereto, as required by § 740.4(a); (3) A work plan of the major program activities of the State water management planning program which targets... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false State applications....

  3. Stepwise positional-orientational order and the multicritical-multistructural global phase diagram of the s=3/2 Ising model from renormalization-group theory.

    PubMed

    Yunus, Çağın; Renklioğlu, Başak; Keskin, Mustafa; Berker, A Nihat

    2016-06-01

    The spin-3/2 Ising model, with nearest-neighbor interactions only, is the prototypical system with two different ordering species, with concentrations regulated by a chemical potential. Its global phase diagram, obtained in d=3 by renormalization-group theory in the Migdal-Kadanoff approximation or equivalently as an exact solution of a d=3 hierarchical lattice, with flows subtended by 40 different fixed points, presents a very rich structure containing eight different ordered and disordered phases, with more than 14 different types of phase diagrams in temperature and chemical potential. It exhibits phases with orientational and/or positional order. It also exhibits quintuple phase transition reentrances. Universality of critical exponents is conserved across different renormalization-group flow basins via redundant fixed points. One of the phase diagrams contains a plastic crystal sequence, with positional and orientational ordering encountered consecutively as temperature is lowered. The global phase diagram also contains double critical points, first-order and critical lines between two ordered phases, critical end points, usual and unusual (inverted) bicritical points, tricritical points, multiple tetracritical points, and zero-temperature criticality and bicriticality. The four-state Potts permutation-symmetric subspace is contained in this model.

  4. Stepwise positional-orientational order and the multicritical-multistructural global phase diagram of the s =3 /2 Ising model from renormalization-group theory

    NASA Astrophysics Data System (ADS)

    Yunus, ćaǧın; Renklioǧlu, Başak; Keskin, Mustafa; Berker, A. Nihat

    2016-06-01

    The spin-3/2 Ising model, with nearest-neighbor interactions only, is the prototypical system with two different ordering species, with concentrations regulated by a chemical potential. Its global phase diagram, obtained in d =3 by renormalization-group theory in the Migdal-Kadanoff approximation or equivalently as an exact solution of a d =3 hierarchical lattice, with flows subtended by 40 different fixed points, presents a very rich structure containing eight different ordered and disordered phases, with more than 14 different types of phase diagrams in temperature and chemical potential. It exhibits phases with orientational and/or positional order. It also exhibits quintuple phase transition reentrances. Universality of critical exponents is conserved across different renormalization-group flow basins via redundant fixed points. One of the phase diagrams contains a plastic crystal sequence, with positional and orientational ordering encountered consecutively as temperature is lowered. The global phase diagram also contains double critical points, first-order and critical lines between two ordered phases, critical end points, usual and unusual (inverted) bicritical points, tricritical points, multiple tetracritical points, and zero-temperature criticality and bicriticality. The four-state Potts permutation-symmetric subspace is contained in this model.

  5. The usual suspects-influence of physicochemical properties on lag time, skin deposition, and percutaneous penetration of nine model compounds.

    PubMed

    Bo Nielsen, Jesper; Ahm Sørensen, Jens; Nielsen, Flemming

    2009-01-01

    The influence of physicochemical properties of nine model compounds on lag time, skin deposition, and percutaneous penetration was evaluated. Static diffusion cells mounted with human skin were used as the experimental model, and experiments were carried out in accordance with Organization for Economic Cooperation and Development (OECD) guidelines. The model compounds were chosen to cover a wide spectrum of solubilities and molecular weights. The pesticides included were glyphosate, dimethoate, pirimicarb, malathion, paclobutrazol, methiocarb, prochloraz, and benzoic acid, with the ninth model compound being caffeine. The fastest dermal penetration was observed for compounds with log Pow values between 1.5 and 4. Malathion did not fit into this generalization. No clear relationship was observed between molecular weight and Kp values. The shortest lag time was observed for the most hydrophilic model compounds. With increasing molecular weight, the lag time rose. Thus, the lag time for the smallest model compound was close to 1.5 h, while the lag time exceeded 20 h for a model compound with a molecular weight of 377 g. A difference in lag time of this magnitude inevitably produces differences in the amounts of a chemical able to penetrate the skin within a limited period of time. The relative deposition in the skin was highest for the lipophilic model compounds. For log Pow values between -1 and 2, a linear relationship was observed between log Pow and log Kp. Comparisons between theoretical Kp values based on the Potts-Guy equation and experimental Kp values demonstrated good agreement. Experimental Kp values based on experiments using full-thickness human skin generally underestimated the calculated Kp values by 25%. The observations are relevant to industrial hygienists and regulatory agencies using experimental data for assessing systemic toxicity following dermal exposures as for development of structure activity relationships for dermal absorption of chemicals.

  6. Unusual universality of branching interfaces in random media

    NASA Astrophysics Data System (ADS)

    Kardar, Mehran; Stella, Attilio L.; Sartoni, Giovanni; Derrida, Bernard

    1995-08-01

    We study the criticality of a Potts interface by introducing a froth model which, unlike its solid-on-solid Ising counterpart, incorporates bubbles of different phases. The interface is fractal at the phase transition of a pure system. However, a position space approximation suggests that the probability of loop formation vanishes marginally at a transition dominated by strong random bond disorder. This implies a linear critical interface, and provides a mechanism for the conjectured equivalence of critical random Potts and Ising models.

  7. Kinetic model of particle-inhibited grain growth

    NASA Astrophysics Data System (ADS)

    Thompson, Gary Scott

    made in 2-D and 3-D Monte Carlo-Potts Model simulations, it was concluded that the decrease in growth rate constant was most likely due to the removal of grain boundary curvature by particles.

  8. Lattice models and integrability: a special issue in honour of F Y Wu

    NASA Astrophysics Data System (ADS)

    Guttmann, A. J.; Jacobsen, J. L.

    2012-12-01

    published in the April issue of Physical Review Letters (PRL) of the same year [4], and in September 1967, Wu moved to Northeastern University to join Lieb's group. Wu taught at Northeastern for 39 years until his retirement in 2006 as the Matthews Distinguished University Professor of Physics. Over the years, Wu has published more than 230 papers and monographs, and he continues to publish after retirement. Most of his research since 1967 is in exact and rigorous analyses of lattice models and integrable systems, which is the theme of this special issue. In 1968, after Wu's arrival at Northeastern, Lieb and Wu obtained the exact solution of the ground state of the one-dimensional Hubbard model and published the result in PRL [5], a work which has since become highly important after the advent of high-temperature superconductivity. This Lieb-Wu paper and Wu's 1982 review of the Potts model in Reviews of Modern Physics [37] are among the most cited papers in condensed matter physics. Later in 1968 Lieb departed Northeastern for MIT. As a result, the full version of the solution was not published until 34 years later [38] when Lieb and Wu collaborated to work on the manuscript on the occasion of Wu's 70th birthday. Wu spent the summer of 1968 at Stony Brook as the guest of C N Yang. Working with Yang's student, C Fan, he extended the Pfaffian solution of the Ising model to general lattices and termed such models 'free-fermion', a term now in common use [6]. In 1972, Wu visited R J Baxter, whom he had met earlier in 1968 at MIT, in Canberra, Australia, with the support of a Fulbright grant. They solved the triangular-lattice Ising model with 3-spin interactions [7], a model now known as the Baxter-Wu model. It was an ideal collaboration. While Baxter derived the solution algebraically, Wu used graphical methods to reduce the problem to an Ashkin-Teller model, which greatly simplifies the presentation. While in Canberra, Wu also studied the 8-vertex model on the honeycomb

  9. Modeling the viscoplastic micromechanical response of two-phase materials using fast Fourier transforms

    SciTech Connect

    Lebensohn, Ricardo A; Lee, Sukbin; Rollett, Anthony D

    2009-01-01

    A viscoplastic approach using the Fast Fourier Transform (FFT) method for obtaining local mechanical response is utilized to study microstructure-property relationships in composite materials. Specifically, three-dimensional, two-phase digital materials containing isotropically coarsened particles surrounded by a matrix phase, generated through a Kinetic Monte Carlo Potts model for Ostwald ripening, are used as instantiations in order to calculate the stress and strain rate fields under uniaxial tension. The effects of the morphology of the matrix phase, the volume fraction and the contiguity of particles, and the polycrystallinity of matrix phase, on the stress and strain rate fields under uniaxial tension are examined. It is found that the first moments of the stress and strain rate fields have a different dependence on the particle volume fraction and the particle contiguity from their second moments. The average stresses and average strain rates of both phases and of the overall composite have rather simple relationships with the particle volume fraction whereas their standard deviations vary strongly, especially when the particle volume fraction is high, and the contiguity of particles has a noticeable effect on the mechanical response. It is also found that the shape of stress distribution in the BCC hard particle phase evolves as the volume fraction of particles in the composite varies, such that it agrees with the stress field in the BCC polycrystal as the volume of particles approaches unity. Finally, it is observed that the stress and strain rate fields in the microstructures with a polycrystalline matrix are less sensitive to changes in volume fraction and contiguity of particles.

  10. Surgical and transcatheter management alternatives in refractory pulmonary hypertension: Potts shunt.

    PubMed

    Kula, Serdar; Atasayan, Vildan

    2015-10-01

    Despite advances in the medical treatment of children with pulmonary arterial hypertension that have resulted in improved health quality and life expectancy, the progression of the disease is still the main problem for some patients. Because of this undesirable condition, the search for new treatment strategies continues for pediatric cardiologists. At this point, the Eisenmenger physiology is the main target because of the long-life expectancy and more stable hemodynamics of patients with Eisenmenger syndrome. Therefore, some invasive procedures may be used for conversion to Eisenmenger physiology with the aim of decompressing the right ventricle.

  11. Measurements of Excitation Functions and Line Polarizations for Electron Impact Excitation of the n = 2, 3 States of Atomic Hydrogen in the Energy Range 11 - 2000 eV

    NASA Technical Reports Server (NTRS)

    James, G. K.; Ajello, J. M.; Kanik, I.; Slevin, J.; Franklin, B.; Shemansky, D.

    1993-01-01

    The electron-atomic hydrogen scattering system is an important testing ground for theoretical models and has received a great deal of attention from experimentalists and theoreticians alike over the years. A complete description of the excitation process requires a knowledge of many different parameters, and experimental measurements of these parameters have been performed in various laboratories around the world. As far as total cross section data are concerned it has been noted that the discrepancy between the data of Long et al. and Williams for n = 2 excitations needs to be resolved in the interests of any further refinement of theory. We report new measurements of total cross sections and atomic line polarizations for both n=2 and n=3 excitations at energies from threshold to 2000 eV...

  12. How the Whole School, Whole Community, Whole Child Model Works: Creating Greater Alignment, Integration, and Collaboration between Health and Education

    ERIC Educational Resources Information Center

    Chiang, Rachelle Johnsson; Meagher, Whitney; Slade, Sean

    2015-01-01

    Background: The Whole School, Whole Community, Whole Child (WSCC) model calls for greater collaboration across the community, school, and health sectors to meet the needs and support the full potential of each child. This article reports on how 3 states and 2 local school districts have implemented aspects of the WSCC model through collaboration,…

  13. Superparamagnetic segmentation by excitable neural systems.

    PubMed

    Neirotti, Juan P; Kurcbart, Samuel M; Caticha, Nestor

    2003-09-01

    Magnetic modeling for clustering or segmentation purposes can either associate the image data to external quenched fields or to the interactions among a set of auxiliary variables. The latter gives rise to superparamagnetic segmentation and is usually done with Potts systems. We have used the superparamagnetic clustering technique to segment images, with the aid of different associated systems. Results using Potts model are comparable to those obtained using excitable FitzHugh-Nagumo and Morris-Lecar model neurons. Interactions between the associated system components are a function of the difference of luminosity on a gray scale of neighbor pixels and the difference of membrane potential.

  14. Statistical Physics Approach to Political Districting Problem

    NASA Astrophysics Data System (ADS)

    Chou, Chung-I.; Li, Sai-Ping

    The Political Districting Problem is to partition a zone into several electoral districts subject to some constraints such as contiguity, population equality, etc. In this paper, we apply statistical physics methods to Political Districting Problem. This political problem is mapped to a q-state Potts model system, and the political constraints are written in the form of an energy function with the interactions between sites or external fields acting on the system. Districting into q voter districts is equivalent to finding the ground state of this q-state Potts model. We illustrate this problem by districting Taipei city and compare it to a computer-generated artificial system.

  15. 7 CFR 718.3 - State committee responsibilities.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... AGRICULTURE FARM MARKETING QUOTAS, ACREAGE ALLOTMENTS, AND PRODUCTION ADJUSTMENT PROVISIONS APPLICABLE TO... digital images. (b) The State committee shall submit to the Deputy Administrator requests to deviate...

  16. 7 CFR 718.3 - State committee responsibilities.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... AGRICULTURE FARM MARKETING QUOTAS, ACREAGE ALLOTMENTS, AND PRODUCTION ADJUSTMENT PROVISIONS APPLICABLE TO... digital images. (b) The State committee shall submit to the Deputy Administrator requests to deviate...

  17. 7 CFR 718.3 - State committee responsibilities.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... AGRICULTURE FARM MARKETING QUOTAS, ACREAGE ALLOTMENTS, AND PRODUCTION ADJUSTMENT PROVISIONS APPLICABLE TO... digital images. (b) The State committee shall submit to the Deputy Administrator requests to deviate...

  18. 7 CFR 718.3 - State committee responsibilities.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... AGRICULTURE FARM MARKETING QUOTAS, ACREAGE ALLOTMENTS, AND PRODUCTION ADJUSTMENT PROVISIONS APPLICABLE TO... digital images. (b) The State committee shall submit to the Deputy Administrator requests to deviate...

  19. 7 CFR 718.3 - State committee responsibilities.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ..., based on cost effectiveness, which counties will use aerial compliance methods and which counties will use ground measurement compliance methods; or (6) Adjust the per acre rate for acreage in excess of 25 acres to reflect the actual cost involved when performing measurement service from aerial slides...

  20. A kinetic model for photoswitching of magnetism in the high spin molecule [Mo(IV)(CN)2(CN-Cu(II)(tren))6](ClO4)8.

    PubMed

    Raghunathan, Rajamani; Ramasesha, S; Mathonière, Corine; Marvaud, Valérie

    2008-09-21

    The heptanuclear complex [Mo(IV)(CN)2(CN-CuL)6]8+ switches from a paramagnetic dark state corresponding to six spin-1/2 Cu(II) ions to a predominantly high spin S = 3 state, on prolonged irradiation with 406 nm laser radiation at low temperature. The system returns to a paramagnetic state on warming to room temperature. The temperature dependence of the chiMT vs. T curve depends upon duration of irradiation. An earlier microscopic model showed that the excitation cross sections in different spin manifolds are similar in magnitude and that photomagnetism is not due to preferential excitation to the S = 3 state. In this paper, we attribute photomagnetism to a long lived S = 3 charge transfer excited state for which there appears to be sufficient experimental evidence. Based on this postulate, we model the photomagnetism by employing a kinetic model which includes internal conversions and intersystem crossings. The key feature of the model is the assumption of the existence of two kinds of S = 3 states: one of which has no direct pathway for internal conversion and the other characterized by slow kinetics for internal conversion to the low-energy states. The trapped S = 3 state can decay via a thermally activated barrier to the other S = 3 state. The experimental chiMT vs. T for two different irradiation times are fitted using Arrhenius dependence of the rate constants in the model.

  1. Entanglement continuous unitary transformations

    NASA Astrophysics Data System (ADS)

    Sahin, Serkan; Schmidt, Kai Phillip; Orús, Román

    2017-01-01

    Continuous unitary transformations are a powerful tool to extract valuable information out of quantum many-body Hamiltonians, in which the so-called flow equation transforms the Hamiltonian to a diagonal or block-diagonal form in second quantization. Yet, one of their main challenges is how to approximate the infinitely-many coupled differential equations that are produced throughout this flow. Here we show that tensor networks offer a natural and non-perturbative truncation scheme in terms of entanglement. The corresponding scheme is called “entanglement-CUT” or eCUT. It can be used to extract the low-energy physics of quantum many-body Hamiltonians, including quasiparticle energy gaps. We provide the general idea behind eCUT and explain its implementation for finite 1d systems using the formalism of matrix product operators. We also present proof-of-principle results for the spin-(1/2) 1d quantum Ising model and the 3-state quantum Potts model in a transverse field. Entanglement-CUTs can also be generalized to higher dimensions and to the thermodynamic limit.

  2. Models and role models.

    PubMed

    ten Cate, Jacob M

    2015-01-01

    Developing experimental models to understand dental caries has been the theme in our research group. Our first, the pH-cycling model, was developed to investigate the chemical reactions in enamel or dentine, which lead to dental caries. It aimed to leverage our understanding of the fluoride mode of action and was also utilized for the formulation of oral care products. In addition, we made use of intra-oral (in situ) models to study other features of the oral environment that drive the de/remineralization balance in individual patients. This model addressed basic questions, such as how enamel and dentine are affected by challenges in the oral cavity, as well as practical issues related to fluoride toothpaste efficacy. The observation that perhaps fluoride is not sufficiently potent to reduce dental caries in the present-day society triggered us to expand our knowledge in the bacterial aetiology of dental caries. For this we developed the Amsterdam Active Attachment biofilm model. Different from studies on planktonic ('single') bacteria, this biofilm model captures bacteria in a habitat similar to dental plaque. With data from the combination of these models, it should be possible to study separate processes which together may lead to dental caries. Also products and novel agents could be evaluated that interfere with either of the processes. Having these separate models in place, a suggestion is made to design computer models to encompass the available information. Models but also role models are of the utmost importance in bringing and guiding research and researchers.

  3. Models, Fiction, and Fictional Models

    NASA Astrophysics Data System (ADS)

    Liu, Chuang

    2014-03-01

    The following sections are included: * Introduction * Why Most Models in Science Are Not Fictional * Typically Fictional Models in Science * Modeling the Unobservable * Fictional Models for the Unobservable? * References

  4. OpenACC programs of the Swendsen-Wang multi-cluster spin flip algorithm

    NASA Astrophysics Data System (ADS)

    Komura, Yukihiro

    2015-12-01

    We present sample OpenACC programs of the Swendsen-Wang multi-cluster spin flip algorithm. OpenACC is a directive-based programming model for accelerators without requiring modification to the underlying CPU code itself. In this paper, we deal with the classical spin models as with the sample CUDA programs (Komura and Okabe, 2014), that is, two-dimensional (2D) Ising model, three-dimensional (3D) Ising model, 2D Potts model, 3D Potts model, 2D XY model and 3D XY model. We explain the details of sample OpenACC programs and compare the performance of the present OpenACC implementations with that of the CUDA implementations for the 2D and 3D Ising models and the 2D and 3D XY models.

  5. Mental Models, Conceptual Models, and Modelling.

    ERIC Educational Resources Information Center

    Greca, Ileana Maria; Moreira, Marco Antonio

    2000-01-01

    Reviews science education research into representations constructed by students in their interactions with the world, its phenomena, and artefacts. Features discussions of mental models, conceptual models, and the activity of modeling. (Contains 30 references.) (Author/WRM)

  6. Three-body interactions in sociophysics and their role in coalition forming

    NASA Astrophysics Data System (ADS)

    Naumis, Gerardo G.; Samaniego-Steta, F.; del Castillo-Mussot, M.; Vázquez, G. J.

    2007-06-01

    An study of the effects of three-body interactions in the process of coalition formation is presented. In particular, we modify a spin glass model of bimodal propensities and also a Potts model in order to include a particular three-body Hamiltonian that reproduces the main features of the required interactions. The model can be used to study conflicts, political struggles, political parties, social networks, wars and organizational structures. As an application, we analyze a simplified model of the Iraq war.

  7. Xtoys: Cellular automata on xwindows

    SciTech Connect

    Creutz, M.

    1995-08-15

    Xtoys is a collection of xwindow programs for demonstrating simulations of various statistical models. Included are xising, for the two dimensional Ising model, xpotts, for the q-state Potts model, xautomalab, for a fairly general class of totalistic cellular automata, xsand, for the Bak-Tang-Wiesenfield model of self organized criticality, and xfires, a simple forest fire simulation. The programs should compile on any machine supporting xwindows.

  8. Diffusion of two brands in competition: Cross-brand effect

    NASA Astrophysics Data System (ADS)

    Laciana, C. E.; Gual, G.; Kalmus, D.; Oteiza-Aguirre, N.; Rovere, S. L.

    2014-11-01

    We study the equilibrium points of a system of equations corresponding to a Bass based model that describes the diffusion of two brands in competition. To increase the understanding of the effects of the cross-brand parameters, we perform a sensitivity analysis. Finally, we show a comparison with an agent-based model inspired in the Potts model. Conclusions include that both models give the same diffusion curves only when the cross coefficients are not null.

  9. Generic, hierarchical framework for massively parallel Wang-Landau sampling.

    PubMed

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P

    2013-05-24

    We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including spin glasses, the Ising model, and the Potts model, lattice protein adsorption, and the self-assembly process in amphiphilic solutions. Without loss of accuracy, the method gives significant speed-up and potentially scales up to petaflop machines.

  10. Generic, Hierarchical Framework for Massively Parallel Wang-Landau Sampling

    NASA Astrophysics Data System (ADS)

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P.

    2013-05-01

    We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models including spin glasses, the Ising model, and the Potts model, lattice protein adsorption, and the self-assembly process in amphiphilic solutions. Without loss of accuracy, the method gives significant speed-up and potentially scales up to petaflop machines.

  11. The scaling state in two-dimensional grain growth

    SciTech Connect

    Mulheran, P.A. . Dept. of Physics)

    1994-11-01

    A new model of normal grain growth in two-dimensional systems is derived from considerations of Potts model simulations. This Randomly Connected Bubble model is based on Hillert's theory and combines the essential topological features of the grain boundary network with the action of capillarity. It successfully predicts what the scaling state of the network should be and explains why the system evolves into this state. The implications for grain growth in real materials are also discussed.

  12. Non-trivial exponents in coarsening phenomena

    NASA Astrophysics Data System (ADS)

    Derrida, B.

    1997-02-01

    One of the simplest examples of stochastic automata is the Glauber dynamics of ferromagnetic spin models such as Ising or Potts models. At zero temperature, if the initial condition is random, one observes a pattern of growing domains with a characteristic size which increases with time like t {1}/{2}. In this self-similar regime, the fraction of spins which never flip up to time t decreases like t- θ where the exponent θ is non-trivial and depends both on the number q of states of the Potts model and on the dimension of space. This exponent can be calculated exactly in one dimension. Similar non-trivial exponents are also present in even simpler models of coarsening, where the dynamical rule is deterministic.

  13. Supermatrix models

    SciTech Connect

    Yost, S.A.

    1991-05-01

    Radom matrix models based on an integral over supermatrices are proposed as a natural extension of bosonic matrix models. The subtle nature of superspace integration allows these models to have very different properties from the analogous bosonic models. Two choices of integration slice are investigated. One leads to a perturbative structure which is reminiscent of, and perhaps identical to, the usual Hermitian matrix models. Another leads to an eigenvalue reduction which can be described by a two component plasma in one dimension. A stationary point of the model is described.

  14. ENTRAINMENT MODELS

    EPA Science Inventory

    This presentation presented information on entrainment models. Entrainment models use entrainment hypotheses to express the continuity equation. The advantage is that plume boundaries are known. A major disadvantage is that the problems that can be solved are rather simple. The ...

  15. a Discrete Simulation of Tumor Growth Concerning Nutrient Influence

    NASA Astrophysics Data System (ADS)

    Sun, L.; Chang, Y. F.; Cai, X.

    We develop a 2-D discrete model to simulate malignant cells growing in healthy tissues using a thermodynamic method on the basis of Potts model. After introducing a malignant seed in a healthy tissue, we use a set of adjustment factors, including the interaction between cells and nutrient, to simulate the growth of malignant cells under different environments. This allows us to investigate the effects of environment on malignant cell growth and the formation of cancer.

  16. Exploring new frontiers in statistical physics with a new, parallel Wang-Landau framework

    NASA Astrophysics Data System (ADS)

    Vogel, Thomas; Li, Ying Wai; Wüst, Thomas; Landau, David P.

    2014-03-01

    Combining traditional Wang-Landau sampling for multiple replica systems with an exchange of densities of states between replicas, we describe a general framework for simulations on massively parallel Petaflop supercomputers. The advantages and general applicability of the method for simulations of complex systems are demonstrated for the classical 2D Potts spin model featuring a strong first-order transition and the self-assembly of lipid bilayers in amphiphilic solutions in a continuous model.

  17. Charged Boundary States in a Z3 Extended Minimal String

    NASA Astrophysics Data System (ADS)

    Kawamoto, Shoichi; Wheater, John F.; Wilshin, Simon

    In this poster, we study the boundary states of the three-state Potts model coupled to two dimensional gravity, which we call Z3 extended minimal string. We find that two different boundary states of this model can be identified with a shift of the boundary cosmological constant. We also point out that the boundary states are classified with respect to the symmetry of the theory. This presentation is based on Ref. 1 to appear soon.

  18. Radiation Models

    ERIC Educational Resources Information Center

    James, W. G. G.

    1970-01-01

    Discusses the historical development of both the wave and the corpuscular photon model of light. Suggests that students should be informed that the two models are complementary and that each model successfully describes a wide range of radiation phenomena. Cites 19 references which might be of interest to physics teachers and students. (LC)

  19. Hydrological models are mediating models

    NASA Astrophysics Data System (ADS)

    Babel, L. V.; Karssenberg, D.

    2013-08-01

    Despite the increasing role of models in hydrological research and decision-making processes, only few accounts of the nature and function of models exist in hydrology. Earlier considerations have traditionally been conducted while making a clear distinction between physically-based and conceptual models. A new philosophical account, primarily based on the fields of physics and economics, transcends classes of models and scientific disciplines by considering models as "mediators" between theory and observations. The core of this approach lies in identifying models as (1) being only partially dependent on theory and observations, (2) integrating non-deductive elements in their construction, and (3) carrying the role of instruments of scientific enquiry about both theory and the world. The applicability of this approach to hydrology is evaluated in the present article. Three widely used hydrological models, each showing a different degree of apparent physicality, are confronted to the main characteristics of the "mediating models" concept. We argue that irrespective of their kind, hydrological models depend on both theory and observations, rather than merely on one of these two domains. Their construction is additionally involving a large number of miscellaneous, external ingredients, such as past experiences, model objectives, knowledge and preferences of the modeller, as well as hardware and software resources. We show that hydrological models convey the role of instruments in scientific practice by mediating between theory and the world. It results from these considerations that the traditional distinction between physically-based and conceptual models is necessarily too simplistic and refers at best to the stage at which theory and observations are steering model construction. The large variety of ingredients involved in model construction would deserve closer attention, for being rarely explicitly presented in peer-reviewed literature. We believe that devoting

  20. Model Experiments and Model Descriptions

    NASA Technical Reports Server (NTRS)

    Jackman, Charles H.; Ko, Malcolm K. W.; Weisenstein, Debra; Scott, Courtney J.; Shia, Run-Lie; Rodriguez, Jose; Sze, N. D.; Vohralik, Peter; Randeniya, Lakshman; Plumb, Ian

    1999-01-01

    The Second Workshop on Stratospheric Models and Measurements Workshop (M&M II) is the continuation of the effort previously started in the first Workshop (M&M I, Prather and Remsberg [1993]) held in 1992. As originally stated, the aim of M&M is to provide a foundation for establishing the credibility of stratospheric models used in environmental assessments of the ozone response to chlorofluorocarbons, aircraft emissions, and other climate-chemistry interactions. To accomplish this, a set of measurements of the present day atmosphere was selected. The intent was that successful simulations of the set of measurements should become the prerequisite for the acceptance of these models as having a reliable prediction for future ozone behavior. This section is divided into two: model experiment and model descriptions. In the model experiment, participant were given the charge to design a number of experiments that would use observations to test whether models are using the correct mechanisms to simulate the distributions of ozone and other trace gases in the atmosphere. The purpose is closely tied to the needs to reduce the uncertainties in the model predicted responses of stratospheric ozone to perturbations. The specifications for the experiments were sent out to the modeling community in June 1997. Twenty eight modeling groups responded to the requests for input. The first part of this section discusses the different modeling group, along with the experiments performed. Part two of this section, gives brief descriptions of each model as provided by the individual modeling groups.

  1. A kinetic model for photoswitching of magnetism in the high spin molecule [Mo(iv)(CN)2(CN Cu(ii)(tren))6](ClO4)8

    NASA Astrophysics Data System (ADS)

    Raghunathan, Rajamani; Ramasesha, S.; Mathonière, Corine; Marvaud, Valérie

    The heptanuclear complex [Mo(IV)(CN)2(CN-CuL)6]8+ exhibits photomagnetism. An earlier microscopic model showed that the transition dipole moments for excitation in different spin manifolds are similar in magnitude. In this paper, we attribute photomagnetism to the long lived S=3 charge transfer excited state for which there appears to be sufficient experimental evidence. We model the photomagnetism by employing a kinetic model which includes internal conversions and intersystem crossings. The key feature of the model is assumption of the existence of two kinds of S=3 states: one which has no direct pathway for internal conversion and the other characterized by slow kinetics for internal conversion to the low-energy states. The trapped S=3 state can decay via a thermally activated barrier to the other S=3 state. The experimental temperature dependence of magnetization plot is fitted using rate constants with Arrhenius dependence. The two different experimental cMT vs. T curves obtained with different irradiation times are fitted with our model. Our studies show that the photomagnetism in these systems is governed by kinetics and not due to differences in oscillator strengths for excitation of the different spin states.

  2. Critical nonequilibrium relaxation in the Swendsen-Wang algorithm in the Berezinsky-Kosterlitz-Thouless and weak first-order phase transitions

    NASA Astrophysics Data System (ADS)

    Nonomura, Yoshihiko; Tomita, Yusuke

    2015-12-01

    Recently we showed that the critical nonequilibrium relaxation in the Swendsen-Wang algorithm is widely described by the stretched-exponential relaxation of physical quantities in the Ising or Heisenberg models. Here we make a similar analysis in the Berezinsky-Kosterlitz-Thouless phase transition in the two-dimensional (2D) X Y model and in the first-order phase transition in the 2D q =5 Potts model and find that these phase transitions are described by the simple exponential relaxation and power-law relaxation of physical quantities, respectively. We compare the relaxation behaviors of these phase transitions with those of the second-order phase transition in the three- and four-dimensional X Y models and in the 2D q -state Potts models for 2 ≤q ≤4 and show that the species of phase transitions can be clearly characterized by the present analysis. We also compare the size dependence of relaxation behaviors of the first-order phase transition in the 2D q =5 and 6 Potts models and propose a quantitative criterion on "weakness" of the first-order phase transition.

  3. Climate Models

    NASA Technical Reports Server (NTRS)

    Druyan, Leonard M.

    2012-01-01

    Climate models is a very broad topic, so a single volume can only offer a small sampling of relevant research activities. This volume of 14 chapters includes descriptions of a variety of modeling studies for a variety of geographic regions by an international roster of authors. The climate research community generally uses the rubric climate models to refer to organized sets of computer instructions that produce simulations of climate evolution. The code is based on physical relationships that describe the shared variability of meteorological parameters such as temperature, humidity, precipitation rate, circulation, radiation fluxes, etc. Three-dimensional climate models are integrated over time in order to compute the temporal and spatial variations of these parameters. Model domains can be global or regional and the horizontal and vertical resolutions of the computational grid vary from model to model. Considering the entire climate system requires accounting for interactions between solar insolation, atmospheric, oceanic and continental processes, the latter including land hydrology and vegetation. Model simulations may concentrate on one or more of these components, but the most sophisticated models will estimate the mutual interactions of all of these environments. Advances in computer technology have prompted investments in more complex model configurations that consider more phenomena interactions than were possible with yesterday s computers. However, not every attempt to add to the computational layers is rewarded by better model performance. Extensive research is required to test and document any advantages gained by greater sophistication in model formulation. One purpose for publishing climate model research results is to present purported advances for evaluation by the scientific community.

  4. Phenomenological models

    SciTech Connect

    Braby, L.A.

    1990-09-01

    The biological effects of ionizing radiation exposure are the result of a complex sequence of physical, chemical, biochemical, and physiological interactions. One way to begin a search for an understanding of health effects of radiation is through the development of phenomenological models of the response. Many models have been presented and tested in the slowly evolving process of characterizing cellular response. A range of models covering different endpoints and phenomena has developed in parallel. Many of these models employ similar assumptions about some underlying processes while differing about the nature of others. An attempt is made to organize many of the models into groups with similar features and to compare the consequences of those features with the actual experimental observations. It is assumed that by showing that some assumptions are inconsistent with experimental observations, the job of devising and testing mechanistic models can be simplified. 43 refs., 13 figs.

  5. Improving Wang-Landau sampling with adaptive windows.

    PubMed

    Cunha-Netto, A G; Caparica, A A; Tsai, Shan-Ho; Dickman, Ronald; Landau, D P

    2008-11-01

    Wang-Landau sampling (WLS) of large systems requires dividing the energy range into "windows" and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) is shown to suffer from boundary effects in simulations of lattice polymers and the five-state Potts model. Here, we implement WLS using adaptive windows. Instead of defining fixed energy windows (or windows in the energy-magnetization plane for the Potts model), the boundary positions depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows. Adaptive windows extend significantly the range of system sizes that may be studied reliably using WLS.

  6. Improving Wang-Landau sampling with adaptive windows

    NASA Astrophysics Data System (ADS)

    Cunha-Netto, A. G.; Caparica, A. A.; Tsai, Shan-Ho; Dickman, Ronald; Landau, D. P.

    2008-11-01

    Wang-Landau sampling (WLS) of large systems requires dividing the energy range into “windows” and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) is shown to suffer from boundary effects in simulations of lattice polymers and the five-state Potts model. Here, we implement WLS using adaptive windows. Instead of defining fixed energy windows (or windows in the energy-magnetization plane for the Potts model), the boundary positions depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows. Adaptive windows extend significantly the range of system sizes that may be studied reliably using WLS.

  7. Spin systems and Political Districting Problem

    NASA Astrophysics Data System (ADS)

    Chou, Chung-I.; Li, Sai-Ping

    2007-03-01

    The aim of the Political Districting Problem is to partition a territory into electoral districts subject to some constraints such as contiguity, population equality, etc. In this paper, we apply statistical physics methods to Political Districting Problem. We will show how to transform the political problem to a spin system, and how to write down a q-state Potts model-like energy function in which the political constraints can be written as interactions between sites or external fields acting on the system. Districting into q voter districts is equivalent to finding the ground state of this q-state Potts model. Searching for the ground state becomes an optimization problem, where optimization algorithms such as the simulated annealing method and Genetic Algorithm can be employed here.

  8. Cloud Modeling

    NASA Technical Reports Server (NTRS)

    Tao, Wei-Kuo; Moncrieff, Mitchell; Einaud, Franco (Technical Monitor)

    2001-01-01

    Numerical cloud models have been developed and applied extensively to study cloud-scale and mesoscale processes during the past four decades. The distinctive aspect of these cloud models is their ability to treat explicitly (or resolve) cloud-scale dynamics. This requires the cloud models to be formulated from the non-hydrostatic equations of motion that explicitly include the vertical acceleration terms since the vertical and horizontal scales of convection are similar. Such models are also necessary in order to allow gravity waves, such as those triggered by clouds, to be resolved explicitly. In contrast, the hydrostatic approximation, usually applied in global or regional models, does allow the presence of gravity waves. In addition, the availability of exponentially increasing computer capabilities has resulted in time integrations increasing from hours to days, domain grids boxes (points) increasing from less than 2000 to more than 2,500,000 grid points with 500 to 1000 m resolution, and 3-D models becoming increasingly prevalent. The cloud resolving model is now at a stage where it can provide reasonably accurate statistical information of the sub-grid, cloud-resolving processes poorly parameterized in climate models and numerical prediction models.

  9. Ventilation Model

    SciTech Connect

    V. Chipman

    2002-10-05

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their post-closure analyses. The Ventilation Model report was initially developed to analyze the effects of preclosure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts, and to provide heat removal data to support EBS design. Revision 00 of the Ventilation Model included documentation of the modeling results from the ANSYS-based heat transfer model. The purposes of Revision 01 of the Ventilation Model are: (1) To validate the conceptual model for preclosure ventilation of emplacement drifts and verify its numerical application in accordance with new procedural requirements as outlined in AP-SIII-10Q, Models (Section 7.0). (2) To satisfy technical issues posed in KTI agreement RDTME 3.14 (Reamer and Williams 2001a). Specifically to demonstrate, with respect to the ANSYS ventilation model, the adequacy of the discretization (Section 6.2.3.1), and the downstream applicability of the model results (i.e. wall heat fractions) to initialize post

  10. Model Selection for Geostatistical Models

    SciTech Connect

    Hoeting, Jennifer A.; Davis, Richard A.; Merton, Andrew A.; Thompson, Sandra E.

    2006-02-01

    We consider the problem of model selection for geospatial data. Spatial correlation is typically ignored in the selection of explanatory variables and this can influence model selection results. For example, the inclusion or exclusion of particular explanatory variables may not be apparent when spatial correlation is ignored. To address this problem, we consider the Akaike Information Criterion (AIC) as applied to a geostatistical model. We offer a heuristic derivation of the AIC in this context and provide simulation results that show that using AIC for a geostatistical model is superior to the often used approach of ignoring spatial correlation in the selection of explanatory variables. These ideas are further demonstrated via a model for lizard abundance. We also employ the principle of minimum description length (MDL) to variable selection for the geostatistical model. The effect of sampling design on the selection of explanatory covariates is also explored.

  11. Modeling Sunspots

    ERIC Educational Resources Information Center

    Oh, Phil Seok; Oh, Sung Jin

    2013-01-01

    Modeling in science has been studied by education researchers for decades and is now being applied broadly in school. It is among the scientific practices featured in the "Next Generation Science Standards" ("NGSS") (Achieve Inc. 2013). This article describes modeling activities in an extracurricular science club in a high…

  12. Dispersion Modeling.

    ERIC Educational Resources Information Center

    Budiansky, Stephen

    1980-01-01

    This article discusses the need for more accurate and complete input data and field verification of the various models of air pollutant dispension. Consideration should be given to changing the form of air quality standards based on enhanced dispersion modeling techniques. (Author/RE)

  13. Qualitative modeling.

    PubMed

    Forbus, Kenneth D

    2011-07-01

    Qualitative modeling concerns the representations and reasoning that people use to understand continuous aspects of the world. Qualitative models formalize everyday notions of causality and provide accounts of how to ground symbolic, relational representations in perceptual processes. This article surveys the basic ideas of qualitative modeling and their applications from a cognitive science perspective. It describes the basic principles of qualitative modeling, and a variety of qualitative representations that have been developed for quantities and for relationships between them, providing a kind of qualitative mathematics. Three ontological frameworks for organizing modeling knowledge (processes, components, and field) are summarized, along with research on automatically assembling models for particular tasks from such knowledge. Qualitative simulation and how it carves up time into meaningful units is discussed. We discuss several accounts of causal reasoning about dynamical systems, based on different choices of qualitative mathematics and ontology. Qualitative spatial reasoning is explored, both in terms of relational systems and visual reasoning. Applications of qualitative models of particular interest to cognitive scientists are described, including how they have been used to capture the expertise of scientists and engineers and how they have been used in education. Open questions and frontiers are also discussed, focusing on relationships between ideas developed in the qualitative modeling community and other areas of cognitive science. WIREs Cogni Sci 2011 2 374-391 DOI: 10.1002/wcs.115 For further resources related to this article, please visit the WIREs website.

  14. Turbulence modeling

    NASA Technical Reports Server (NTRS)

    Bardina, Jorge E.

    1995-01-01

    The objective of this work is to develop, verify, and incorporate the baseline two-equation turbulence models which account for the effects of compressibility into the three-dimensional Reynolds averaged Navier-Stokes (RANS) code and to provide documented descriptions of the models and their numerical procedures so that they can be implemented into 3-D CFD codes for engineering applications.

  15. Statistical mechanics of human resource allocation

    NASA Astrophysics Data System (ADS)

    Inoue, Jun-Ichi; Chen, He

    2014-03-01

    We provide a mathematical platform to investigate the network topology of agents, say, university graduates who are looking for their positions in labor markets. The basic model is described by the so-called Potts spin glass which is well-known in the research field of statistical physics. In the model, each Potts spin (a tiny magnet in atomic scale length) represents the action of each student, and it takes a discrete variable corresponding to the company he/she applies for. We construct the energy to include three distinct effects on the students' behavior, namely, collective effect, market history and international ranking of companies. In this model system, the correlations (the adjacent matrix) between students are taken into account through the pairwise spin-spin interactions. We carry out computer simulations to examine the efficiency of the model. We also show that some chiral representation of the Potts spin enables us to obtain some analytical insights into our labor markets. This work was financially supported by Grant-in-Aid for Scientific Research (C) of Japan Society for the Promotion of Science No. 25330278.

  16. Transmission of order in some unusual dilute systems

    NASA Astrophysics Data System (ADS)

    Adler, Joan; Palmer, R. G.; Meyer, H.

    1987-03-01

    As a system is diluted, the critical temperature T may fall to zero at a concentration X sub c greater than the percolation concentration, because mere connectivity does not guarantee the transmission of order even at T = 0. Detailed results, including bounds on X sub c, are presented for the three-state Potts antiferromagnet on a triangular lattice and for quadrupolar models of (o-H2)x(p-H2)1-x mixtures on fcc and triangular lattices.

  17. Transmission of order in some unusual dilute systems

    NASA Technical Reports Server (NTRS)

    Adler, Joan; Palmer, R. G.; Meyer, H.

    1987-01-01

    As a system is diluted, the critical temperature T may fall to zero at a concentration X sub c greater than the percolation concentration, because mere connectivity does not guarantee the transmission of order even at T = 0. Detailed results, including bounds on X sub c, are presented for the three-state Potts antiferromagnet on a triangular lattice and for quadrupolar models of (o-H2)x(p-H2)1-x mixtures on fcc and triangular lattices.

  18. Climate models and model evaluation

    SciTech Connect

    Gates, W.L.

    1994-12-31

    This brief overview addresses aspects of the nature, uses, evaluation and limitations of climate models. A comprehensive global modeling capability has been achieved only for the physical climate system, which is characterized by processes that serve to transport and exchange momentum, heat and moisture within and between the atmosphere, ocean and land surface. The fundamental aim of climate modeling, and the justification for the use of climate models, is the need to achieve a quantitative understanding of the operation of the climate system and to exploit any potential predictability that may exist.

  19. OSPREY Model

    SciTech Connect

    Veronica J. Rutledge

    2013-01-01

    The absence of industrial scale nuclear fuel reprocessing in the U.S. has precluded the necessary driver for developing the advanced simulation capability now prevalent in so many other countries. Thus, it is essential to model complex series of unit operations to simulate, understand, and predict inherent transient behavior and feedback loops. A capability of accurately simulating the dynamic behavior of advanced fuel cycle separation processes will provide substantial cost savings and many technical benefits. The specific fuel cycle separation process discussed in this report is the off-gas treatment system. The off-gas separation consists of a series of scrubbers and adsorption beds to capture constituents of interest. Dynamic models are being developed to simulate each unit operation involved so each unit operation can be used as a stand-alone model and in series with multiple others. Currently, an adsorption model has been developed within Multi-physics Object Oriented Simulation Environment (MOOSE) developed at the Idaho National Laboratory (INL). Off-gas Separation and REcoverY (OSPREY) models the adsorption of off-gas constituents for dispersed plug flow in a packed bed under non-isothermal and non-isobaric conditions. Inputs to the model include gas, sorbent, and column properties, equilibrium and kinetic data, and inlet conditions. The simulation outputs component concentrations along the column length as a function of time from which breakthrough data is obtained. The breakthrough data can be used to determine bed capacity, which in turn can be used to size columns. It also outputs temperature along the column length as a function of time and pressure drop along the column length. Experimental data and parameters were input into the adsorption model to develop models specific for krypton adsorption. The same can be done for iodine, xenon, and tritium. The model will be validated with experimental breakthrough curves. Customers will be given access to

  20. Model hydrographs

    USGS Publications Warehouse

    Mitchell, W.D.

    1972-01-01

    Model hydrographs are composed of pairs of dimensionless ratios, arrayed in tabular form, which, when modified by the appropriate values of rainfall exceed and by the time and areal characteristics of the drainage basin, satisfactorily represent the flood hydrograph for the basin. Model bydrographs are developed from a dimensionless translation hydrograph, having a time base of T hours and appropriately modified for storm duration by routing through reservoir storage, S=kOx. Models fall into two distinct classes: (1) those for which the value of x is unity and which have all the characteristics of true unit hydrographs and (2) those for which the value of x is other than unity and to which the unit-hydrograph principles of proportionality and superposition do not apply. Twenty-six families of linear models and eight families of nonlinear models in tabular form from the principal subject of this report. Supplemental discussions describe the development of the models and illustrate their application. Other sections of the report, supplemental to the tables, describe methods of determining the hydrograph characteristics, T, k, and x, both from observed hydrograph and from the physical characteristics of the drainage basin. Five illustrative examples of use show that the models, when properly converted to incorporate actual rainfall excess and the time and areal characteristics of the drainage basins, do indeed satisfactorily represent the observed flood hydrographs for the basins.

  1. Stereometric Modelling

    NASA Astrophysics Data System (ADS)

    Grimaldi, P.

    2012-07-01

    These mandatory guidelines are provided for preparation of papers accepted for publication in the series of Volumes of The The stereometric modelling means modelling achieved with : - the use of a pair of virtual cameras, with parallel axes and positioned at a mutual distance average of 1/10 of the distance camera-object (in practice the realization and use of a stereometric camera in the modeling program); - the shot visualization in two distinct windows - the stereoscopic viewing of the shot while modelling. Since the definition of "3D vision" is inaccurately referred to as the simple perspective of an object, it is required to add the word stereo so that "3D stereo vision " shall stand for "three-dimensional view" and ,therefore, measure the width, height and depth of the surveyed image. Thanks to the development of a stereo metric model , either real or virtual, through the "materialization", either real or virtual, of the optical-stereo metric model made visible with a stereoscope. It is feasible a continuous on line updating of the cultural heritage with the help of photogrammetry and stereometric modelling. The catalogue of the Architectonic Photogrammetry Laboratory of Politecnico di Bari is available on line at: http://rappresentazione.stereofot.it:591/StereoFot/FMPro?-db=StereoFot.fp5&-lay=Scheda&-format=cerca.htm&-view

  2. A Model for Math Modeling

    ERIC Educational Resources Information Center

    Lin, Tony; Erfan, Sasan

    2016-01-01

    Mathematical modeling is an open-ended research subject where no definite answers exist for any problem. Math modeling enables thinking outside the box to connect different fields of studies together including statistics, algebra, calculus, matrices, programming and scientific writing. As an integral part of society, it is the foundation for many…

  3. Replica inference approach to unsupervised multiscale image segmentation.

    PubMed

    Hu, Dandan; Ronhovde, Peter; Nussinov, Zohar

    2012-01-01

    We apply a replica-inference-based Potts model method to unsupervised image segmentation on multiple scales. This approach was inspired by the statistical mechanics problem of "community detection" and its phase diagram. Specifically, the problem is cast as identifying tightly bound clusters ("communities" or "solutes") against a background or "solvent." Within our multiresolution approach, we compute information-theory-based correlations among multiple solutions ("replicas") of the same graph over a range of resolutions. Significant multiresolution structures are identified by replica correlations manifest by information theory overlaps. We further employ such information theory measures (such as normalized mutual information and variation of information), thermodynamic quantities such as the system entropy and energy, and dynamic measures monitoring the convergence time to viable solutions as metrics for transitions between various solvable and unsolvable phases. Within the solvable phase, transitions between contending solutions (such as those corresponding to segmentations on different scales) may also appear. With the aid of these correlations as well as thermodynamic measures, the phase diagram of the corresponding Potts model is analyzed at both zero and finite temperatures. Optimal parameters corresponding to a sensible unsupervised segmentations appear within the "easy phase" of the Potts model. Our algorithm is fast and shown to be at least as accurate as the best algorithms to date and to be especially suited to the detection of camouflaged images.

  4. INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Coexistence and Extinction Pattern of Asymmetric Cyclic Game Species in a Square Lattice

    NASA Astrophysics Data System (ADS)

    Dong, Lin-Rong; Li, Yong-Ming; Yang, Guang-Can

    2010-06-01

    The co-evolutionary dynamics of a cyclic game system is investigated in a two-dimensional square lattice with the asymmetrical rates for three species. Different with the well-mixed system, coexistence and extinction emerge alternately in the system, where a “zero-one" behavior is robust for a small population size, whereas, the system is predominated by coexistence for a big population one. We study in detail the influence about the fluctuation to the change of the state, and find that the difference between the maximal amplitude about the fluctuation and the average intensity determines which state the system is ultimately. In addition, we introduce Potts energy to explain the reason of the “zero-one" behavior. It is shown that the average Potts energy per site is the distance to the “zero-one" behavior in the model.

  5. Anchor Modeling

    NASA Astrophysics Data System (ADS)

    Regardt, Olle; Rönnbäck, Lars; Bergholtz, Maria; Johannesson, Paul; Wohed, Petia

    Maintaining and evolving data warehouses is a complex, error prone, and time consuming activity. The main reason for this state of affairs is that the environment of a data warehouse is in constant change, while the warehouse itself needs to provide a stable and consistent interface to information spanning extended periods of time. In this paper, we propose a modeling technique for data warehousing, called anchor modeling, that offers non-destructive extensibility mechanisms, thereby enabling robust and flexible management of changes in source systems. A key benefit of anchor modeling is that changes in a data warehouse environment only require extensions, not modifications, to the data warehouse. This ensures that existing data warehouse applications will remain unaffected by the evolution of the data warehouse, i.e. existing views and functions will not have to be modified as a result of changes in the warehouse model.

  6. Programming models

    SciTech Connect

    Daniel, David J; Mc Pherson, Allen; Thorp, John R; Barrett, Richard; Clay, Robert; De Supinski, Bronis; Dube, Evi; Heroux, Mike; Janssen, Curtis; Langer, Steve; Laros, Jim

    2011-01-14

    A programming model is a set of software technologies that support the expression of algorithms and provide applications with an abstract representation of the capabilities of the underlying hardware architecture. The primary goals are productivity, portability and performance.

  7. Model Lungs.

    ERIC Educational Resources Information Center

    Taylor, Emma

    1991-01-01

    A cheap and simple model that can be made and used by pupils to study the human breathing mechanism is presented. A list of needed materials, procedures for construction, possible refinements, and method of use are included. (KR)

  8. Micromolecular modeling

    NASA Technical Reports Server (NTRS)

    Guillet, J. E.

    1984-01-01

    A reaction kinetics based model of the photodegradation process, which measures all important rate constants, and a computerized model capable of predicting the photodegradation rate and failure modes of a 30 year period, were developed. It is shown that the computerized photodegradation model for polyethylene correctly predicts failure of ELVAX 15 and cross linked ELVAX 150 on outdoor exposure. It is indicated that cross linking ethylene vinyl acetate (EVA) does not significantly change its degradation rate. It is shown that the effect of the stabilizer package is approximately equivalent on both polymers. The computerized model indicates that peroxide decomposers and UV absorbers are the most effective stabilizers. It is found that a combination of UV absorbers and a hindered amine light stabilizer (HALS) is the most effective stabilizer system.

  9. Environmental Modeling

    EPA Pesticide Factsheets

    EPA's modeling community is working to gain insights into certain parts of a physical, biological, economic, or social system by conducting environmental assessments for Agency decision making to complex environmental issues.

  10. Energy Models

    EPA Science Inventory

    Energy models characterize the energy system, its evolution, and its interactions with the broader economy. The energy system consists of primary resources, including both fossil fuels and renewables; power plants, refineries, and other technologies to process and convert these r...

  11. PREDICTIVE MODELS

    SciTech Connect

    Ray, R.M. )

    1986-12-01

    PREDICTIVE MODELS is a collection of five models - CFPM, CO2PM, ICPM, PFPM, and SFPM - used in the 1982-1984 National Petroleum Council study of enhanced oil recovery (EOR) potential. Each pertains to a specific EOR process designed to squeeze additional oil from aging or spent oil fields. The processes are: 1) chemical flooding, where soap-like surfactants are injected into the reservoir to wash out the oil; 2) carbon dioxide miscible flooding, where carbon dioxide mixes with the lighter hydrocarbons making the oil easier to displace; 3) in-situ combustion, which uses the heat from burning some of the underground oil to thin the product; 4) polymer flooding, where thick, cohesive material is pumped into a reservoir to push the oil through the underground rock; and 5) steamflood, where pressurized steam is injected underground to thin the oil. CFPM, the Chemical Flood Predictive Model, models micellar (surfactant)-polymer floods in reservoirs, which have been previously waterflooded to residual oil saturation. Thus, only true tertiary floods are considered. An option allows a rough estimate of oil recovery by caustic or caustic-polymer processes. CO2PM, the Carbon Dioxide miscible flooding Predictive Model, is applicable to both secondary (mobile oil) and tertiary (residual oil) floods, and to either continuous CO2 injection or water-alternating gas processes. ICPM, the In-situ Combustion Predictive Model, computes the recovery and profitability of an in-situ combustion project from generalized performance predictive algorithms. PFPM, the Polymer Flood Predictive Model, is switch-selectable for either polymer or waterflooding, and an option allows the calculation of the incremental oil recovery and economics of polymer relative to waterflooding. SFPM, the Steamflood Predictive Model, is applicable to the steam drive process, but not to cyclic steam injection (steam soak) processes.

  12. Model selection for geostatistical models.

    PubMed

    Hoeting, Jennifer A; Davis, Richard A; Merton, Andrew A; Thompson, Sandra E

    2006-02-01

    We consider the problem of model selection for geospatial data. Spatial correlation is often ignored in the selection of explanatory variables, and this can influence model selection results. For example, the importance of particular explanatory variables may not be apparent when spatial correlation is ignored. To address this problem, we consider the Akaike Information Criterion (AIC) as applied to a geostatistical model. We offer a heuristic derivation of the AIC in this context and provide simulation results that show that using AIC for a geostatistical model is superior to the often-used traditional approach of ignoring spatial correlation in the selection of explanatory variables. These ideas are further demonstrated via a model for lizard abundance. We also apply the principle of minimum description length (MDL) to variable selection for the geostatistical model. The effect of sampling design on the selection of explanatory covariates is also explored. R software to implement the geostatistical model selection methods described in this paper is available in the Supplement.

  13. Scalable Models Using Model Transformation

    DTIC Science & Technology

    2008-07-13

    huge number of web documents. We have created a simplified demo using 5 worker machines in the Ptolemy II modeling and simulation environment [3], as...the pattern of the transformation rule matches any subgraph of the input model. When the TransformationRule actor is opened in the Ptolemy II GUI...tool developed in the Ptolemy II frame- work, existing tools include AGG [14], PROGRES [15], AToM3 [16], FUJABA [17], VIATRA2 [18], and GReAT [19

  14. Modeling reality

    NASA Technical Reports Server (NTRS)

    Denning, Peter J.

    1990-01-01

    Although powerful computers have allowed complex physical and manmade hardware systems to be modeled successfully, we have encountered persistent problems with the reliability of computer models for systems involving human learning, human action, and human organizations. This is not a misfortune; unlike physical and manmade systems, human systems do not operate under a fixed set of laws. The rules governing the actions allowable in the system can be changed without warning at any moment, and can evolve over time. That the governing laws are inherently unpredictable raises serious questions about the reliability of models when applied to human situations. In these domains, computers are better used, not for prediction and planning, but for aiding humans. Examples are systems that help humans speculate about possible futures, offer advice about possible actions in a domain, systems that gather information from the networks, and systems that track and support work flows in organizations.

  15. Reflectance Modeling

    NASA Technical Reports Server (NTRS)

    Smith, J. A. (Principal Investigator)

    1985-01-01

    The overall goal of this work has been to develop a set of computational tools and media abstractions for the terrain bidirectional reflectance problem. The modeling of soil and vegetation surfaces has been emphasized with a gradual increase in the complexity of the media geometries treated. Pragmatic problems involved in the combined modeling of soil, vegetation, and atmospheric effects have been of interest and one of the objectives has been to describe the canopy reflectance problem in a classical radiative transfer sense permitting easier inclusion of our work by other workers in the radiative transfer field.

  16. Supernova models

    SciTech Connect

    Woosley, S.E.; Weaver, T.A.

    1980-01-01

    Recent progress in understanding the observed properties of Type I supernovae as a consequence of the thermonuclear detonation of white dwarf stars and the ensuing decay of the /sup 56/Ni produced therein is reviewed. Within the context of this model for Type I explosions and the 1978 model for Type II explosions, the expected nucleosynthesis and gamma-line spectra from both kinds of supernovae are presented. Finally, a qualitatively new approach to the problem of massive star death and Type II supernovae based upon a combination of rotation and thermonuclear burning is discussed.

  17. Ensemble Models

    EPA Science Inventory

    Ensemble forecasting has been used for operational numerical weather prediction in the United States and Europe since the early 1990s. An ensemble of weather or climate forecasts is used to characterize the two main sources of uncertainty in computer models of physical systems: ...

  18. Modeling Convection

    ERIC Educational Resources Information Center

    Ebert, James R.; Elliott, Nancy A.; Hurteau, Laura; Schulz, Amanda

    2004-01-01

    Students must understand the fundamental process of convection before they can grasp a wide variety of Earth processes, many of which may seem abstract because of the scales on which they operate. Presentation of a very visual, concrete model prior to instruction on these topics may facilitate students' understanding of processes that are largely…

  19. Painting models

    NASA Astrophysics Data System (ADS)

    Baart, F.; Donchyts, G.; van Dam, A.; Plieger, M.

    2015-12-01

    The emergence of interactive art has blurred the line between electronic, computer graphics and art. Here we apply this art form to numerical models. Here we show how the transformation of a numerical model into an interactive painting can both provide insights and solve real world problems. The cases that are used as an example include forensic reconstructions, dredging optimization, barrier design. The system can be fed using any source of time varying vector fields, such as hydrodynamic models. The cases used here, the Indian Ocean (HYCOM), the Wadden Sea (Delft3D Curvilinear), San Francisco Bay (3Di subgrid and Delft3D Flexible Mesh), show that the method used is suitable for different time and spatial scales. High resolution numerical models become interactive paintings by exchanging their velocity fields with a high resolution (>=1M cells) image based flow visualization that runs in a html5 compatible web browser. The image based flow visualization combines three images into a new image: the current image, a drawing, and a uv + mask field. The advection scheme that computes the resultant image is executed in the graphics card using WebGL, allowing for 1M grid cells at 60Hz performance on mediocre graphic cards. The software is provided as open source software. By using different sources for a drawing one can gain insight into several aspects of the velocity fields. These aspects include not only the commonly represented magnitude and direction, but also divergence, topology and turbulence .

  20. Entrepreneurship Models.

    ERIC Educational Resources Information Center

    Finger Lakes Regional Education Center for Economic Development, Mount Morris, NY.

    This guide describes seven model programs that were developed by the Finger Lakes Regional Center for Economic Development (New York) to meet the training needs of female and minority entrepreneurs to help their businesses survive and grow and to assist disabled and dislocated workers and youth in beginning small businesses. The first three models…

  1. Why model?

    PubMed

    Wolkenhauer, Olaf

    2014-01-01

    Next generation sequencing technologies are bringing about a renaissance of mining approaches. A comprehensive picture of the genetic landscape of an individual patient will be useful, for example, to identify groups of patients that do or do not respond to certain therapies. The high expectations may however not be satisfied if the number of patient groups with similar characteristics is going to be very large. I therefore doubt that mining sequence data will give us an understanding of why and when therapies work. For understanding the mechanisms underlying diseases, an alternative approach is to model small networks in quantitative mechanistic detail, to elucidate the role of gene and proteins in dynamically changing the functioning of cells. Here an obvious critique is that these models consider too few components, compared to what might be relevant for any particular cell function. I show here that mining approaches and dynamical systems theory are two ends of a spectrum of methodologies to choose from. Drawing upon personal experience in numerous interdisciplinary collaborations, I provide guidance on how to model by discussing the question "Why model?"

  2. Modeling Muscles

    ERIC Educational Resources Information Center

    Goodwyn, Lauren; Salm, Sarah

    2007-01-01

    Teaching the anatomy of the muscle system to high school students can be challenging. Students often learn about muscle anatomy by memorizing information from textbooks or by observing plastic, inflexible models. Although these mediums help students learn about muscle placement, the mediums do not facilitate understanding regarding integration of…

  3. Atmospheric Modeling

    EPA Science Inventory

    Although air quality models have been applied historically to address issues specific to ambient air quality standards (i.e., one criteria pollutant at a time) or welfare (e.g.. acid deposition or visibility impairment). they are inherently multipollutant based. Therefore. in pri...

  4. Criticality Model

    SciTech Connect

    A. Alsaed

    2004-09-14

    The ''Disposal Criticality Analysis Methodology Topical Report'' (YMP 2003) presents the methodology for evaluating potential criticality situations in the monitored geologic repository. As stated in the referenced Topical Report, the detailed methodology for performing the disposal criticality analyses will be documented in model reports. Many of the models developed in support of the Topical Report differ from the definition of models as given in the Office of Civilian Radioactive Waste Management procedure AP-SIII.10Q, ''Models'', in that they are procedural, rather than mathematical. These model reports document the detailed methodology necessary to implement the approach presented in the Disposal Criticality Analysis Methodology Topical Report and provide calculations utilizing the methodology. Thus, the governing procedure for this type of report is AP-3.12Q, ''Design Calculations and Analyses''. The ''Criticality Model'' is of this latter type, providing a process evaluating the criticality potential of in-package and external configurations. The purpose of this analysis is to layout the process for calculating the criticality potential for various in-package and external configurations and to calculate lower-bound tolerance limit (LBTL) values and determine range of applicability (ROA) parameters. The LBTL calculations and the ROA determinations are performed using selected benchmark experiments that are applicable to various waste forms and various in-package and external configurations. The waste forms considered in this calculation are pressurized water reactor (PWR), boiling water reactor (BWR), Fast Flux Test Facility (FFTF), Training Research Isotope General Atomic (TRIGA), Enrico Fermi, Shippingport pressurized water reactor, Shippingport light water breeder reactor (LWBR), N-Reactor, Melt and Dilute, and Fort Saint Vrain Reactor spent nuclear fuel (SNF). The scope of this analysis is to document the criticality computational method. The criticality

  5. Higher Education Spending and the State Fiscal Stabilization Fund, Part 3: State Case Studies

    ERIC Educational Resources Information Center

    Cohen, Jennifer

    2011-01-01

    By late 2008, the United States was in the midst of its most severe economic recession since the 1930s, brought on by a collapse in real estate prices and exacerbated by the failure of many large banks and financial institutions. Heeding calls from economists, Congress and the Obama administration passed an historic law in early 2009 to stimulate…

  6. 49 CFR 397.3 - State and local laws, ordinances, and regulations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 5 2013-10-01 2013-10-01 false State and local laws, ordinances, and regulations... laws, ordinances, and regulations. Every motor vehicle containing hazardous materials must be driven and parked in compliance with the laws, ordinances, and regulations of the jurisdiction in which it...

  7. Trends in Energy Management Technology - Part 3: State of Practiceof Energy Management, Control, and Information Systems

    SciTech Connect

    Yee, Gaymond; Webster, Tom

    2004-02-01

    In this report, the third in a series, we provide an evaluation of several products that exemplify the current state of practice of Energy Management, Control, and Information Systems (EMCIS). The available features for these products are summarized and analyzed with regard to emerging trends in EMCIS and potential benefits to the federal sector. The first report [1] covered enabling technologies for emerging energy management systems. The second report [2] serves as a basic reference for building control system (BCS) networking fundamentals and includes an assessment of current approaches to open communications. Part 4 of this series will discuss applications software from a user's perspective. It is important for energy managers in the Federal sector to have a high level of knowledge and understanding of these complex energy management systems. This series of reports provides energy practitioners with some basic informational and educational tools to help make decisions relative to energy management systems design, specification, procurement, and energy savings potential.

  8. 50 CFR 70.3 - State cooperation in national fish hatchery area management.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 50 Wildlife and Fisheries 8 2011-10-01 2011-10-01 false State cooperation in national fish hatchery area management. 70.3 Section 70.3 Wildlife and Fisheries UNITED STATES FISH AND WILDLIFE SERVICE, DEPARTMENT OF THE INTERIOR (CONTINUED) MANAGEMENT OF FISHERIES CONSERVATION AREAS NATIONAL FISH...

  9. Impact of Smoke-Free Residence Hall Policies: The Views of Administrators at 3 State Universities

    ERIC Educational Resources Information Center

    Gerson, Megan

    2005-01-01

    Nationwide efforts to protect the public against the health effects of secondhand smoke have prompted college and university administrators to adopt more restrictive smoking policies. Some campus officials are concerned that new policies will lead to student backlash, increased staff workloads, and an increased economic burden. To understand the…

  10. Modeling Molecules

    NASA Technical Reports Server (NTRS)

    2000-01-01

    The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

  11. Combustor Modelling

    DTIC Science & Technology

    1980-02-01

    three-dimensional gas turbine combustion chamber flows. ASME 23rd Int. Gas Turbine Conference. London (1978) 10). R.S. Reynolds, T.E. Kuhn & H.C. Mongia ... combustion data. 2 4 The concept of this global model approach is to trantform the TJI region in a physically compatible way that can be computationally...is also addressed.- ee a ot s um FUEL EFFECTS ON GAS TURBINE COMBUSTION : Fuel characteristics which are most likely to, affect the design- of future

  12. Nuclear Models

    NASA Astrophysics Data System (ADS)

    Fossión, Rubén

    2010-09-01

    The atomic nucleus is a typical example of a many-body problem. On the one hand, the number of nucleons (protons and neutrons) that constitute the nucleus is too large to allow for exact calculations. On the other hand, the number of constituent particles is too small for the individual nuclear excitation states to be explained by statistical methods. Another problem, particular for the atomic nucleus, is that the nucleon-nucleon (n-n) interaction is not one of the fundamental forces of Nature, and is hard to put in a single closed equation. The nucleon-nucleon interaction also behaves differently between two free nucleons (bare interaction) and between two nucleons in the nuclear medium (dressed interaction). Because of the above reasons, specific nuclear many-body models have been devised of which each one sheds light on some selected aspects of nuclear structure. Only combining the viewpoints of different models, a global insight of the atomic nucleus can be gained. In this chapter, we revise the the Nuclear Shell Model as an example of the microscopic approach, and the Collective Model as an example of the geometric approach. Finally, we study the statistical properties of nuclear spectra, basing on symmetry principles, to find out whether there is quantum chaos in the atomic nucleus. All three major approaches have been rewarded with the Nobel Prize of Physics. In the text, we will stress how each approach introduces its own series of approximations to reduce the prohibitingly large number of degrees of freedom of the full many-body problem to a smaller manageable number of effective degrees of freedom.

  13. Model checking

    NASA Technical Reports Server (NTRS)

    Dill, David L.

    1995-01-01

    Automatic formal verification methods for finite-state systems, also known as model-checking, successfully reduce labor costs since they are mostly automatic. Model checkers explicitly or implicitly enumerate the reachable state space of a system, whose behavior is described implicitly, perhaps by a program or a collection of finite automata. Simple properties, such as mutual exclusion or absence of deadlock, can be checked by inspecting individual states. More complex properties, such as lack of starvation, require search for cycles in the state graph with particular properties. Specifications to be checked may consist of built-in properties, such as deadlock or 'unspecified receptions' of messages, another program or implicit description, to be compared with a simulation, bisimulation, or language inclusion relation, or an assertion in one of several temporal logics. Finite-state verification tools are beginning to have a significant impact in commercial designs. There are many success stories of verification tools finding bugs in protocols or hardware controllers. In some cases, these tools have been incorporated into design methodology. Research in finite-state verification has been advancing rapidly, and is showing no signs of slowing down. Recent results include probabilistic algorithms for verification, exploitation of symmetry and independent events, and the use symbolic representations for Boolean functions and systems of linear inequalities. One of the most exciting areas for further research is the combination of model-checking with theorem-proving methods.

  14. Modeling biomembranes.

    SciTech Connect

    Plimpton, Steven James; Heffernan, Julieanne; Sasaki, Darryl Yoshio; Frischknecht, Amalie Lucile; Stevens, Mark Jackson; Frink, Laura J. Douglas

    2005-11-01

    Understanding the properties and behavior of biomembranes is fundamental to many biological processes and technologies. Microdomains in biomembranes or ''lipid rafts'' are now known to be an integral part of cell signaling, vesicle formation, fusion processes, protein trafficking, and viral and toxin infection processes. Understanding how microdomains form, how they depend on membrane constituents, and how they act not only has biological implications, but also will impact Sandia's effort in development of membranes that structurally adapt to their environment in a controlled manner. To provide such understanding, we created physically-based models of biomembranes. Molecular dynamics (MD) simulations and classical density functional theory (DFT) calculations using these models were applied to phenomena such as microdomain formation, membrane fusion, pattern formation, and protein insertion. Because lipid dynamics and self-organization in membranes occur on length and time scales beyond atomistic MD, we used coarse-grained models of double tail lipid molecules that spontaneously self-assemble into bilayers. DFT provided equilibrium information on membrane structure. Experimental work was performed to further help elucidate the fundamental membrane organization principles.

  15. Molecular Modeling

    NASA Astrophysics Data System (ADS)

    Holmes, Jon L.

    1999-06-01

    Molecular modeling has trickled down from the realm of pharmaceutical and research laboratories into the realm of undergraduate chemistry instruction. It has opened avenues for the visualization of chemical concepts that previously were difficult or impossible to convey. I am sure that many of you have developed exercises using the various molecular modeling tools. It is the desire of this Journal to become an avenue for you to share these exercises among your colleagues. It is to this end that Ron Starkey has agreed to edit such a column and to publish not only the description of such exercises, but also the software documents they use. The WWW is the obvious medium to distribute this combination and so accepted submissions will appear online as a feature of JCE Internet. Typical molecular modeling exercise: finding conformation energies. Molecular Modeling Exercises and Experiments is the latest feature column of JCE Internet, joining Conceptual Questions and Challenge Problems, Hal's Picks, and Mathcad in the Chemistry Curriculum. JCE Internet continues to seek submissions in these areas of interest and submissions of general interest. If you have developed materials and would like to submit them, please see our Guide to Submissions for more information. The Chemical Education Resource Shelf, Equipment Buyers Guide, and WWW Site Review would also like to hear about chemistry textbooks and software, equipment, and WWW sites, respectively. Please consult JCE Internet Features to learn more about these resources at JCE Online. Email Announcements Would you like to be informed by email when the latest issue of the Journal is available online? when a new JCE Software title is shipping? when a new JCE Internet article has been published or is available for Open Review? when your subscription is about to expire? A new feature of JCE Online makes this possible. Visit our Guestbook to learn how. When

  16. 10. MOVABLE BED SEDIMENTATION MODELS. DOGTOOTH BEND MODEL (MODEL SCALE: ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    10. MOVABLE BED SEDIMENTATION MODELS. DOGTOOTH BEND MODEL (MODEL SCALE: 1' = 400' HORIZONTAL, 1' = 100' VERTICAL), AND GREENVILLE BRIDGE MODEL (MODEL SCALE: 1' = 360' HORIZONTAL, 1' = 100' VERTICAL). - Waterways Experiment Station, Hydraulics Laboratory, Halls Ferry Road, 2 miles south of I-20, Vicksburg, Warren County, MS

  17. Students' Models of Curve Fitting: A Models and Modeling Perspective

    ERIC Educational Resources Information Center

    Gupta, Shweta

    2010-01-01

    The Models and Modeling Perspectives (MMP) has evolved out of research that began 26 years ago. MMP researchers use Model Eliciting Activities (MEAs) to elicit students' mental models. In this study MMP was used as the conceptual framework to investigate the nature of students' models of curve fitting in a problem-solving environment consisting of…

  18. Biomimetic modelling.

    PubMed Central

    Vincent, Julian F V

    2003-01-01

    Biomimetics is seen as a path from biology to engineering. The only path from engineering to biology in current use is the application of engineering concepts and models to biological systems. However, there is another pathway: the verification of biological mechanisms by manufacture, leading to an iterative process between biology and engineering in which the new understanding that the engineering implementation of a biological system can bring is fed back into biology, allowing a more complete and certain understanding and the possibility of further revelations for application in engineering. This is a pathway as yet unformalized, and one that offers the possibility that engineers can also be scientists. PMID:14561351

  19. Noise-induced absorbing phase transition in a model of opinion formation

    NASA Astrophysics Data System (ADS)

    Vieira, Allan R.; Crokidakis, Nuno

    2016-08-01

    In this work we study a 3-state (+1, -1, 0) opinion model in the presence of noise and disorder. We consider pairwise competitive interactions, with a fraction p of those interactions being negative (disorder). Moreover, there is a noise q that represents the probability of an individual spontaneously change his opinion to the neutral state. Our aim is to study how the increase/decrease of the fraction of neutral agents affects the critical behavior of the system and the evolution of opinions. We derive analytical expressions for the order parameter of the model, as well as for the stationary fraction of each opinion, and we show that there are distinct phase transitions. One is the usual ferro-paramagnetic transition, that is in the Ising universality class. In addition, there are para-absorbing and ferro-absorbing transitions, presenting the directed percolation universality class. Our results are complemented by numerical simulations.

  20. Modeling of Instabilities and Self-organization at the Frictional Interface

    NASA Astrophysics Data System (ADS)

    Mortazavi, Vahid

    results show how interfacial patterns form, how the transition between stick and slip zones occurs, and which parameters affect them. In chapter 6, we use Cellular Potts Model to study contact angle (CA) hysteresis as a measure of solid-liquid energy dissipation. We simulate CA hysteresis for a droplet over the tilted patterned surface, and a bubble placed under the surface immersed in liquid. We discuss the dependency of CA hysteresis on the surface structure and other parameters. This analysis allows decoupling of the 1D (pinning of the triple line) and 2D effects (adhesion hysteresis in the contact area) and obtain new insights on the nature of CA hysteresis. To summarize, we examine different cases in frictional interface and observe similar trends. We investigate and discus how these trends could be beneficial in design, synthesis and characterization of different materials and tribosystems. Furthermore, we describe how to utilize fundamental concepts for specific engineering applications. Finally, the main theme of this research is to find new applications of concept of self-organization to tribology and the role played by different physical and chemical interactions in modifying and controlling friction and wear. (Abstract shortened by UMI.)

  1. House: Southeast/Front Elevation, Northeast/Side Elevation, Northwest/Rear Elevation, Southwest/Side Elevation, House ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    House: Southeast/Front Elevation, Northeast/Side Elevation, Northwest/Rear Elevation, Southwest/Side Elevation, House Plan - Driapsa Centennial Farm, Potts Hill European Community, 4511 Potts Hill Road, Bainbridge, Ross County, OH

  2. Root Cellar: Plan, Southeast/Side Elevation, Northwest/Side Elevation, Northeast/Side Elevation, Southwest/Side ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Root Cellar: Plan, Southeast/Side Elevation, Northwest/Side Elevation, Northeast/Side Elevation, Southwest/Side Elevation - Driapsa Centennial Farm, Potts Hill European Community, 4511 Potts Hill Road, Bainbridge, Ross County, OH

  3. Barn: Loft Plan, Ground Floor Plan, Northwest/Side Elevation, Southeast/Front Elevation, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Barn: Loft Plan, Ground Floor Plan, Northwest/Side Elevation, Southeast/Front Elevation, Southwest/Side Elevation, Northeast/Side Elevation - Driapsa Centennial Farm, Potts Hill European Community, 4511 Potts Hill Road, Bainbridge, Ross County, OH

  4. Pre-Modeling Ensures Accurate Solid Models

    ERIC Educational Resources Information Center

    Gow, George

    2010-01-01

    Successful solid modeling requires a well-organized design tree. The design tree is a list of all the object's features and the sequential order in which they are modeled. The solid-modeling process is faster and less prone to modeling errors when the design tree is a simple and geometrically logical definition of the modeled object. Few high…

  5. Modeling metrology for calibration of OPC models

    NASA Astrophysics Data System (ADS)

    Mack, Chris A.; Raghunathan, Ananthan; Sturtevant, John; Deng, Yunfei; Zuniga, Christian; Adam, Kostas

    2016-03-01

    Optical Proximity Correction (OPC) has continually improved in accuracy over the years by adding more physically based models. Here, we further extend OPC modeling by adding the Analytical Linescan Model (ALM) to account for systematic biases in CD-SEM metrology. The ALM was added to a conventional OPC model calibration flow and the accuracy of the calibrated model with the ALM was compared to the standard model without the ALM using validation data. Without using any adjustable parameters in the ALM, OPC validation accuracy was improved by 5%. While very preliminary, these results give hope that modeling metrology could be an important next step in OPC model improvement.

  6. Direct handling of sharp interfacial energy for microstructural evolution

    DOE PAGES

    Hernández–Rivera, Efraín; Tikare, Veena; Noirot, Laurence; ...

    2014-08-24

    In this study, we introduce a simplification to the previously demonstrated hybrid Potts–phase field (hPPF), which relates interfacial energies to microstructural sharp interfaces. The model defines interfacial energy by a Potts-like discrete interface approach of counting unlike neighbors, which we use to compute local curvature. The model is compared to the hPPF by studying interfacial characteristics and grain growth behavior. The models give virtually identical results, while the new model allows the simulator more direct control of interfacial energy.

  7. Multipoint Green's functions in 1 + 1 dimensional integrable quantum field theories

    NASA Astrophysics Data System (ADS)

    Babujian, H. M.; Karowski, M.; Tsvelik, A. M.

    2017-04-01

    We calculate the multipoint Green's functions in 1+1 dimensional integrable quantum field theories. We use the crossing formula for general models and calculate the 3 and 4 point functions taking in to account only the lower nontrivial intermediate states contributions. Then we apply the general results to the examples of the scaling Z2 Ising model, sinh-Gordon model and Z3 scaling Potts model. We demonstrate this calculations explicitly. The results can be applied to physical phenomena as for example to the Raman scattering.

  8. Building Mental Models by Dissecting Physical Models

    ERIC Educational Resources Information Center

    Srivastava, Anveshna

    2016-01-01

    When students build physical models from prefabricated components to learn about model systems, there is an implicit trade-off between the physical degrees of freedom in building the model and the intensity of instructor supervision needed. Models that are too flexible, permitting multiple possible constructions require greater supervision to…

  9. I&C Modeling in SPAR Models

    SciTech Connect

    John A. Schroeder

    2012-06-01

    The Standardized Plant Analysis Risk (SPAR) models for the U.S. commercial nuclear power plants currently have very limited instrumentation and control (I&C) modeling [1]. Most of the I&C components in the operating plant SPAR models are related to the reactor protection system. This was identified as a finding during the industry peer review of SPAR models. While the Emergency Safeguard Features (ESF) actuation and control system was incorporated into the Peach Bottom Unit 2 SPAR model in a recent effort [2], various approaches to expend resources for detailed I&C modeling in other SPAR models are investigated.

  10. Sp(3, R) decomposition of the SU(3) no-core shell model basis

    NASA Astrophysics Data System (ADS)

    Luo, Fengqiao; Caprio, Mark A.; Dytrych, Tomas

    2014-03-01

    Numerical evidence shows an important role of the symplectic Sp(3, R) symmetry in the ab initio no-core shell model results for light nuclei. Therefore, the construction of symplectic states from SU(3) states is necessary, as a prerequisite and crucial step of understanding the symplectic symmetry for those nuclei. This presentation will provide an introduction to our numerical calculation that decomposes the basis states of Sp(3, R) irreducible representations in terms of SU(3) nuclear basis. We use the null space of the Sp(3, R) generator B (02) to find the extremal states, and then ladder them with the generator A (20) to build the entire irreps. Supported by the Research Corporation for Science Advancement under a Cottrell Scholar Award, by the US DOE under grants DE-FG02-95ER-40934 and DE-SC0005248, and by the US NSF under grant OCI-0904874.

  11. Phase transitions in antiferromagnets with a NaCl structure

    NASA Astrophysics Data System (ADS)

    Kassan-Ogly, F. A.; Filippov, B. N.

    2006-05-01

    A revised derivation scheme of possible magnetic structures in an FCC lattice with the nearest- and next-nearest-neighbor interactions taken into account is proposed. A model of simultaneous magnetic and structural phase transitions of the first order is developed for antiferromagnets with a NaCl structure and with a strong cubic magnetic anisotropy on the base of synthesis of magnetic modified 6-state Potts model and theoretical models of structural phase transitions in cubic crystals. It is shown that the high-temperature diffuse magnetic scattering of neutrons transforms into magnetic Bragg reflections below Néel point.

  12. Energy spectrum and critical exponents of the free parafermion Z N spin chain

    NASA Astrophysics Data System (ADS)

    Alcaraz, Francisco C.; Batchelor, Murray T.; Liu, Zi-Zhong

    2017-04-01

    Results are given for the ground state energy and excitation spectrum of a simple N-state Z N spin chain described by free parafermions. The model is non-Hermitian for N≥slant 3 with a real ground state energy and a complex excitation spectrum. Although having a simpler Hamiltonian than the superintegrable chiral Potts model, the model is seen to share some properties with it, e.g. the specific heat exponent α =1-2/N and the anisotropic correlation length exponents {ν\\parallel}=1 and {ν\\bot}=2/N .

  13. Cluster Algorithm Special Purpose Processor

    NASA Astrophysics Data System (ADS)

    Talapov, A. L.; Shchur, L. N.; Andreichenko, V. B.; Dotsenko, Vl. S.

    We describe a Special Purpose Processor, realizing the Wolff algorithm in hardware, which is fast enough to study the critical behaviour of 2D Ising-like systems containing more than one million spins. The processor has been checked to produce correct results for a pure Ising model and for Ising model with random bonds. Its data also agree with the Nishimori exact results for spin glass. Only minor changes of the SPP design are necessary to increase the dimensionality and to take into account more complex systems such as Potts models.

  14. Engineering Structurally Configurable Models with Model Transformation

    DTIC Science & Technology

    2008-12-15

    model in the case of Simulink, and a dataflow model in the case of LabVIEW). Research modeling tools such as Ptolemy II [14], ForSyDe [21], SPEX [30...functionality of our model transformation tool built in the Ptolemy II framework, and its application to large models of distributed and parallel embedded...in Ptolemy II, the same idea can be applied to other modeling tools such as Simulink, LabVIEW, ForSyDe, SPEX and ModHel’X. Moreover, the recent OMG

  15. Modeling cholera outbreaks

    PubMed Central

    Longini, Ira M.; Morris, J. Glenn

    2014-01-01

    Mathematical modeling can be a valuable tool for studying infectious disease outbreak dynamics and simulating the effects of possible interventions. Here, we describe approaches to modeling cholera outbreaks and how models have been applied to explore intervention strategies, particularly in Haiti. Mathematical models can play an important role in formulating and evaluating complex cholera outbreak response options. Major challenges to cholera modeling are insufficient data for calibrating models and the need to tailor models for different outbreak scenarios. PMID:23412687

  16. Air Quality Dispersion Modeling - Alternative Models

    EPA Pesticide Factsheets

    Models, not listed in Appendix W, that can be used in regulatory applications with case-by-case justification to the Reviewing Authority as noted in Section 3.2, Use of Alternative Models, in Appendix W.

  17. Uncertainty Modeling Via Frequency Domain Model Validation

    NASA Technical Reports Server (NTRS)

    Waszak, Martin R.; Andrisani, Dominick, II

    1999-01-01

    Abstract The majority of literature on robust control assumes that a design model is available and that the uncertainty model bounds the actual variations about the nominal model. However, methods for generating accurate design models have not received as much attention in the literature. The influence of the level of accuracy of the uncertainty model on closed loop performance has received even less attention. The research reported herein is an initial step in applying and extending the concept of model validation to the problem of obtaining practical uncertainty models for robust control analysis and design applications. An extension of model validation called 'sequential validation' is presented and applied to a simple spring-mass-damper system to establish the feasibility of the approach and demonstrate the benefits of the new developments.

  18. Model selection for logistic regression models

    NASA Astrophysics Data System (ADS)

    Duller, Christine

    2012-09-01

    Model selection for logistic regression models decides which of some given potential regressors have an effect and hence should be included in the final model. The second interesting question is whether a certain factor is heterogeneous among some subsets, i.e. whether the model should include a random intercept or not. In this paper these questions will be answered with classical as well as with Bayesian methods. The application show some results of recent research projects in medicine and business administration.

  19. "Bohr's Atomic Model."

    ERIC Educational Resources Information Center

    Willden, Jeff

    2001-01-01

    "Bohr's Atomic Model" is a small interactive multimedia program that introduces the viewer to a simplified model of the atom. This interactive simulation lets students build an atom using an atomic construction set. The underlying design methodology for "Bohr's Atomic Model" is model-centered instruction, which means the central model of the…

  20. Bohr model as an algebraic collective model

    SciTech Connect

    Rowe, D. J.; Welsh, T. A.; Caprio, M. A.

    2009-05-15

    Developments and applications are presented of an algebraic version of Bohr's collective model. Illustrative examples show that fully converged calculations can be performed quickly and easily for a large range of Hamiltonians. As a result, the Bohr model becomes an effective tool in the analysis of experimental data. The examples are chosen both to confirm the reliability of the algebraic collective model and to show the diversity of results that can be obtained by its use. The focus of the paper is to facilitate identification of the limitations of the Bohr model with a view to developing more realistic, computationally tractable models.

  1. Building mental models by dissecting physical models.

    PubMed

    Srivastava, Anveshna

    2016-01-01

    When students build physical models from prefabricated components to learn about model systems, there is an implicit trade-off between the physical degrees of freedom in building the model and the intensity of instructor supervision needed. Models that are too flexible, permitting multiple possible constructions require greater supervision to ensure focused learning; models that are too constrained require less supervision, but can be constructed mechanically, with little to no conceptual engagement. We propose "model-dissection" as an alternative to "model-building," whereby instructors could make efficient use of supervisory resources, while simultaneously promoting focused learning. We report empirical results from a study conducted with biology undergraduate students, where we demonstrate that asking them to "dissect" out specific conceptual structures from an already built 3D physical model leads to a significant improvement in performance than asking them to build the 3D model from simpler components. Using questionnaires to measure understanding both before and after model-based interventions for two cohorts of students, we find that both the "builders" and the "dissectors" improve in the post-test, but it is the latter group who show statistically significant improvement. These results, in addition to the intrinsic time-efficiency of "model dissection," suggest that it could be a valuable pedagogical tool.

  2. Geologic Framework Model Analysis Model Report

    SciTech Connect

    R. Clayton

    2000-12-19

    The purpose of this report is to document the Geologic Framework Model (GFM), Version 3.1 (GFM3.1) with regard to data input, modeling methods, assumptions, uncertainties, limitations, and validation of the model results, qualification status of the model, and the differences between Version 3.1 and previous versions. The GFM represents a three-dimensional interpretation of the stratigraphy and structural features of the location of the potential Yucca Mountain radioactive waste repository. The GFM encompasses an area of 65 square miles (170 square kilometers) and a volume of 185 cubic miles (771 cubic kilometers). The boundaries of the GFM were chosen to encompass the most widely distributed set of exploratory boreholes (the Water Table or WT series) and to provide a geologic framework over the area of interest for hydrologic flow and radionuclide transport modeling through the unsaturated zone (UZ). The depth of the model is constrained by the inferred depth of the Tertiary-Paleozoic unconformity. The GFM was constructed from geologic map and borehole data. Additional information from measured stratigraphy sections, gravity profiles, and seismic profiles was also considered. This interim change notice (ICN) was prepared in accordance with the Technical Work Plan for the Integrated Site Model Process Model Report Revision 01 (CRWMS M&O 2000). The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The GFM is one component of the Integrated Site Model (ISM) (Figure l), which has been developed to provide a consistent volumetric portrayal of the rock layers, rock properties, and mineralogy of the Yucca Mountain site. The ISM consists of three components: (1) Geologic Framework Model (GFM); (2) Rock Properties Model (RPM); and (3) Mineralogic Model (MM). The ISM merges the detailed project stratigraphy into model stratigraphic units that are most useful for the primary downstream models and the

  3. Photochemical Modeling Applications

    EPA Pesticide Factsheets

    Provides access to modeling applications involving photochemical models, including modeling of ozone, particulate matter (PM), and mercury for national and regional EPA regulations such as the Clean Air Interstate Rule (CAIR) and the Clean Air Mercury Rule

  4. Educating with Aircraft Models

    ERIC Educational Resources Information Center

    Steele, Hobie

    1976-01-01

    Described is utilization of aircraft models, model aircraft clubs, and model aircraft magazines to promote student interest in aerospace education. The addresses for clubs and magazines are included. (SL)

  5. Mesoscale Benchmark Demonstration Problem 1: Mesoscale Simulations of Intra-granular Fission Gas Bubbles in UO2 under Post-irradiation Thermal Annealing

    SciTech Connect

    Li, Yulan; Hu, Shenyang Y.; Montgomery, Robert; Gao, Fei; Sun, Xin; Tonks, Michael; Biner, Bullent; Millet, Paul; Tikare, Veena; Radhakrishnan, Balasubramaniam; Andersson , David

    2012-04-11

    A study was conducted to evaluate the capabilities of different numerical methods used to represent microstructure behavior at the mesoscale for irradiated material using an idealized benchmark problem. The purpose of the mesoscale benchmark problem was to provide a common basis to assess several mesoscale methods with the objective of identifying the strengths and areas of improvement in the predictive modeling of microstructure evolution. In this work, mesoscale models (phase-field, Potts, and kinetic Monte Carlo) developed by PNNL, INL, SNL, and ORNL were used to calculate the evolution kinetics of intra-granular fission gas bubbles in UO2 fuel under post-irradiation thermal annealing conditions. The benchmark problem was constructed to include important microstructural evolution mechanisms on the kinetics of intra-granular fission gas bubble behavior such as the atomic diffusion of Xe atoms, U vacancies, and O vacancies, the effect of vacancy capture and emission from defects, and the elastic interaction of non-equilibrium gas bubbles. An idealized set of assumptions was imposed on the benchmark problem to simplify the mechanisms considered. The capability and numerical efficiency of different models are compared against selected experimental and simulation results. These comparisons find that the phase-field methods, by the nature of the free energy formulation, are able to represent a larger subset of the mechanisms influencing the intra-granular bubble growth and coarsening mechanisms in the idealized benchmark problem as compared to the Potts and kinetic Monte Carlo methods. It is recognized that the mesoscale benchmark problem as formulated does not specifically highlight the strengths of the discrete particle modeling used in the Potts and kinetic Monte Carlo methods. Future efforts are recommended to construct increasingly more complex mesoscale benchmark problems to further verify and validate the predictive capabilities of the mesoscale modeling

  6. Orbital Debris Modeling

    NASA Technical Reports Server (NTRS)

    Liou, J. C.

    2012-01-01

    Presentation outlne: (1) The NASA Orbital Debris (OD) Engineering Model -- A mathematical model capable of predicting OD impact risks for the ISS and other critical space assets (2) The NASA OD Evolutionary Model -- A physical model capable of predicting future debris environment based on user-specified scenarios (3) The NASA Standard Satellite Breakup Model -- A model describing the outcome of a satellite breakup (explosion or collision)

  7. Chiral phase from three-spin interactions in an optical lattice

    SciTech Connect

    D'Cruz, Christian; Pachos, Jiannis K.

    2005-10-15

    A spin-1/2 chain model that includes three-spin interactions can effectively describe the dynamics of two species of bosons trapped in an optical lattice with a triangular-ladder configuration. A perturbative theoretical approach and numerical study of its ground state is performed that reveals a rich variety of phases and criticalities. We identify phases with periodicity one, two, or three, as well as critical points that belong in the same universality class as the Ising or the three-state Potts model. We establish a range of parameters, corresponding to a large degeneracy present between phases with period 2 and 3, that nests a gapless incommensurate chiral phase.

  8. The free energy in a class of quantum spin systems and interchange processes

    NASA Astrophysics Data System (ADS)

    Björnberg, J. E.

    2016-07-01

    We study a class of quantum spin systems in the mean-field setting of the complete graph. For spin S = 1/2, the model is the Heisenberg ferromagnet, and for general spin S ∈ 1/2 N, it has a probabilistic representation as a cycle-weighted interchange process. We determine the free energy and the critical temperature (recovering results by Tóth and by Penrose when S = 1/2). The critical temperature is shown to coincide (as a function of S) with that of the q = 2S + 1 state classical Potts model, and the phase transition is discontinuous when S ≥ 1.

  9. Fragmentation of Fractal Random Structures

    NASA Astrophysics Data System (ADS)

    Elçi, Eren Metin; Weigel, Martin; Fytas, Nikolaos G.

    2015-03-01

    We analyze the fragmentation behavior of random clusters on the lattice under a process where bonds between neighboring sites are successively broken. Modeling such structures by configurations of a generalized Potts or random-cluster model allows us to discuss a wide range of systems with fractal properties including trees as well as dense clusters. We present exact results for the densities of fragmenting edges and the distribution of fragment sizes for critical clusters in two dimensions. Dynamical fragmentation with a size cutoff leads to broad distributions of fragment sizes. The resulting power laws are shown to encode characteristic fingerprints of the fragmented objects.

  10. Markov chain Monte Carlo method without detailed balance.

    PubMed

    Suwa, Hidemaro; Todo, Synge

    2010-09-17

    We present a specific algorithm that generally satisfies the balance condition without imposing the detailed balance in the Markov chain Monte Carlo. In our algorithm, the average rejection rate is minimized, and even reduced to zero in many relevant cases. The absence of the detailed balance also introduces a net stochastic flow in a configuration space, which further boosts up the convergence. We demonstrate that the autocorrelation time of the Potts model becomes more than 6 times shorter than that by the conventional Metropolis algorithm. Based on the same concept, a bounce-free worm algorithm for generic quantum spin models is formulated as well.

  11. Continuous system modeling

    NASA Technical Reports Server (NTRS)

    Cellier, Francois E.

    1991-01-01

    A comprehensive and systematic introduction is presented for the concepts associated with 'modeling', involving the transition from a physical system down to an abstract description of that system in the form of a set of differential and/or difference equations, and basing its treatment of modeling on the mathematics of dynamical systems. Attention is given to the principles of passive electrical circuit modeling, planar mechanical systems modeling, hierarchical modular modeling of continuous systems, and bond-graph modeling. Also discussed are modeling in equilibrium thermodynamics, population dynamics, and system dynamics, inductive reasoning, artificial neural networks, and automated model synthesis.

  12. Regularized Structural Equation Modeling.

    PubMed

    Jacobucci, Ross; Grimm, Kevin J; McArdle, John J

    A new method is proposed that extends the use of regularization in both lasso and ridge regression to structural equation models. The method is termed regularized structural equation modeling (RegSEM). RegSEM penalizes specific parameters in structural equation models, with the goal of creating easier to understand and simpler models. Although regularization has gained wide adoption in regression, very little has transferred to models with latent variables. By adding penalties to specific parameters in a structural equation model, researchers have a high level of flexibility in reducing model complexity, overcoming poor fitting models, and the creation of models that are more likely to generalize to new samples. The proposed method was evaluated through a simulation study, two illustrative examples involving a measurement model, and one empirical example involving the structural part of the model to demonstrate RegSEM's utility.

  13. ROCK PROPERTIES MODEL ANALYSIS MODEL REPORT

    SciTech Connect

    Clinton Lum

    2002-02-04

    The purpose of this Analysis and Model Report (AMR) is to document Rock Properties Model (RPM) 3.1 with regard to input data, model methods, assumptions, uncertainties and limitations of model results, and qualification status of the model. The report also documents the differences between the current and previous versions and validation of the model. The rock properties models are intended principally for use as input to numerical physical-process modeling, such as of ground-water flow and/or radionuclide transport. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. This work was conducted in accordance with the following planning documents: WA-0344, ''3-D Rock Properties Modeling for FY 1998'' (SNL 1997, WA-0358), ''3-D Rock Properties Modeling for FY 1999'' (SNL 1999), and the technical development plan, Rock Properties Model Version 3.1, (CRWMS M&O 1999c). The Interim Change Notice (ICNs), ICN 02 and ICN 03, of this AMR were prepared as part of activities being conducted under the Technical Work Plan, TWP-NBS-GS-000003, ''Technical Work Plan for the Integrated Site Model, Process Model Report, Revision 01'' (CRWMS M&O 2000b). The purpose of ICN 03 is to record changes in data input status due to data qualification and verification activities. These work plans describe the scope, objectives, tasks, methodology, and implementing procedures for model construction. The constraints, caveats, and limitations associated with this model are discussed in the appropriate text sections that follow. The work scope for this activity consists of the following: (1) Conversion of the input data (laboratory measured porosity data, x-ray diffraction mineralogy, petrophysical calculations of bound water, and petrophysical calculations of porosity) for each borehole into stratigraphic coordinates; (2) Re-sampling and merging of data sets; (3) Development of geostatistical simulations of porosity; (4

  14. Model Reduction of Viscoelastic Finite Element Models

    NASA Astrophysics Data System (ADS)

    Park, C. H.; Inman, D. J.; Lam, M. J.

    1999-01-01

    This paper examines a method of adding viscoelastic properties to finite element models by using additional co-ordinates to account for the frequency dependence usually associated with such damping materials. Several such methods exist and all suffer from an increase in order of the final finite model which is undesirable in many applications. Here we propose to combine one of these methods, the GHM (Golla-Hughes-McTavish) method, with model reduction techniques to remove the objection of increased model order. The result of combining several methods is an ability to add the effects of visoelastic components to finite element or other analytical models without increasing the order of the system. The procedure is illustrated by a numerical example. The method proposed here results in a viscoelastic finite element of a structure without increasing the order of the original model.

  15. Neurometric Modeling: Computational Modeling of Individual Brains

    DTIC Science & Technology

    2011-05-16

    Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 15. SUBJECT TERMS Neural networks, computational neuroscience, fMRI ...obtained using functional MRI. Algorithmic processing of these measurements can exploit a variety of statistical machine learning methods to... statistical machine learning methods to synthesize a new kind of neuro-cognitive model, which we call neurometric models. These executable models could be

  16. Better models are more effectively connected models

    NASA Astrophysics Data System (ADS)

    Nunes, João Pedro; Bielders, Charles; Darboux, Frederic; Fiener, Peter; Finger, David; Turnbull-Lloyd, Laura; Wainwright, John

    2016-04-01

    The concept of hydrologic and geomorphologic connectivity describes the processes and pathways which link sources (e.g. rainfall, snow and ice melt, springs, eroded areas and barren lands) to accumulation areas (e.g. foot slopes, streams, aquifers, reservoirs), and the spatial variations thereof. There are many examples of hydrological and sediment connectivity on a watershed scale; in consequence, a process-based understanding of connectivity is crucial to help managers understand their systems and adopt adequate measures for flood prevention, pollution mitigation and soil protection, among others. Modelling is often used as a tool to understand and predict fluxes within a catchment by complementing observations with model results. Catchment models should therefore be able to reproduce the linkages, and thus the connectivity of water and sediment fluxes within the systems under simulation. In modelling, a high level of spatial and temporal detail is desirable to ensure taking into account a maximum number of components, which then enables connectivity to emerge from the simulated structures and functions. However, computational constraints and, in many cases, lack of data prevent the representation of all relevant processes and spatial/temporal variability in most models. In most cases, therefore, the level of detail selected for modelling is too coarse to represent the system in a way in which connectivity can emerge; a problem which can be circumvented by representing fine-scale structures and processes within coarser scale models using a variety of approaches. This poster focuses on the results of ongoing discussions on modelling connectivity held during several workshops within COST Action Connecteur. It assesses the current state of the art of incorporating the concept of connectivity in hydrological and sediment models, as well as the attitudes of modellers towards this issue. The discussion will focus on the different approaches through which connectivity

  17. Strong decays of excited 1D charmed(-strange) mesons in the covariant oscillator quark model

    NASA Astrophysics Data System (ADS)

    Maeda, Tomohito; Yoshida, Kento; Yamada, Kenji; Ishida, Shin; Oda, Masuho

    2016-05-01

    Recently observed charmed mesons, D1* (2760), D3* (2760) and charmed-strange mesons, Ds1 * (2860), Ds3 * (2860), by BaBar and LHCb collaborations are considered to be plausible candidates for c q ¯ 13 DJ (q = u, d, s) states. We calculate the strong decays with one pion (kaon) emission of these states including well-established 1S and 1P charmed(-strange) mesons within the framework of the covariant oscillator quark model. The results obtained are compared with the experimental data and the typical nonrelativistic quark-model calculations. Concerning the results for 1S and 1P states, we find that, thanks to the relativistic effects of decay form factors, our model parameters take reasonable values, though our relativistic approach and the nonrelativistic quark model give similar decay widths in agreement with experiment. While the results obtained for 13 DJ=1,3 states are roughly consistent with the present data, they should be checked by the future precise measurement.

  18. Biosphere Model Report

    SciTech Connect

    M. A. Wasiolek

    2003-10-27

    The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), the TSPA-LA. The ERMYN model provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs), the reference biosphere, the human receptor, and assumptions (Section 6.2 and Section 6.3); (3) Building a mathematical model using the biosphere conceptual model and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN model compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN model by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); and (8) Validating the ERMYN model by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7).

  19. Biosphere Model Report

    SciTech Connect

    D. W. Wu

    2003-07-16

    The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), the TSPA-LA. The ERMYN model provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs), the reference biosphere, the human receptor, and assumptions (Section 6.2 and Section 6.3); (3) Building a mathematical model using the biosphere conceptual model and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN model compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN model by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); and (8) Validating the ERMYN model by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7).

  20. Qualitative Student Models.

    ERIC Educational Resources Information Center

    Clancey, William J.

    The concept of a qualitative model is used as the focus of this review of qualitative student models in order to compare alternative computational models and to contrast domain requirements. The report is divided into eight sections: (1) Origins and Goals (adaptive instruction, qualitative models of processes, components of an artificial…

  1. Models for Ammunition Management

    DTIC Science & Technology

    1977-08-01

    Analysis Operations Research Management Models Mobilization Planning Computer Programming Ammunition Management Economic Analysis Production Planning...ammunition managers on a unique set of nine modern computer models specifically developed to support the conventional ammunition management decision...DECISION MODELS DIRECTORATE ROCK ISLAND, ILLINOIS 61201 r ABSTRACT This special management report presents a unique set of nine computer models

  2. Generative Models of Disfluency

    ERIC Educational Resources Information Center

    Miller, Timothy A.

    2010-01-01

    This thesis describes a generative model for representing disfluent phenomena in human speech. This model makes use of observed syntactic structure present in disfluent speech, and uses a right-corner transform on syntax trees to model this structure in a very natural way. Specifically, the phenomenon of speech repair is modeled by explicitly…

  3. Multimodeling and Model Abstraction

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The multiplicity of models of the same process or phenomenon is the commonplace in environmental modeling. Last 10 years brought marked interest to making use of the variety of conceptual approaches instead of attempting to find the best model or using a single preferred model. Two systematic approa...

  4. Biomass Scenario Model

    SciTech Connect

    2015-09-01

    The Biomass Scenario Model (BSM) is a unique, carefully validated, state-of-the-art dynamic model of the domestic biofuels supply chain which explicitly focuses on policy issues, their feasibility, and potential side effects. It integrates resource availability, physical/technological/economic constraints, behavior, and policy. The model uses a system dynamics simulation (not optimization) to model dynamic interactions across the supply chain.

  5. The Instrumental Model

    ERIC Educational Resources Information Center

    Yeates, Devin Rodney

    2011-01-01

    The goal of this dissertation is to enable better predictive models by engaging raw experimental data through the Instrumental Model. The Instrumental Model captures the protocols and procedures of experimental data analysis. The approach is formalized by encoding the Instrumental Model in an XML record. Decoupling the raw experimental data from…

  6. AIDS Epidemiological models

    NASA Astrophysics Data System (ADS)

    Rahmani, Fouad Lazhar

    2010-11-01

    The aim of this paper is to present mathematical modelling of the spread of infection in the context of the transmission of the human immunodeficiency virus (HIV) and the acquired immune deficiency syndrome (AIDS). These models are based in part on the models suggested in the field of th AIDS mathematical modelling as reported by ISHAM [6].

  7. Talk about toy models

    NASA Astrophysics Data System (ADS)

    Luczak, Joshua

    2017-02-01

    Scientific models are frequently discussed in philosophy of science. A great deal of the discussion is centred on approximation, idealisation, and on how these models achieve their representational function. Despite the importance, distinct nature, and high presence of toy models, they have received little attention from philosophers. This paper hopes to remedy this situation. It aims to elevate the status of toy models: by distinguishing them from approximations and idealisations, by highlighting and elaborating on several ways the Kac ring, a simple statistical mechanical model, is used as a toy model, and by explaining why toy models can be used to successfully carry out important work without performing a representational function.

  8. Equivalent Dynamic Models.

    PubMed

    Molenaar, Peter C M

    2017-02-16

    Equivalences of two classes of dynamic models for weakly stationary multivariate time series are discussed: dynamic factor models and autoregressive models. It is shown that exploratory dynamic factor models can be rotated, yielding an infinite set of equivalent solutions for any observed series. It also is shown that dynamic factor models with lagged factor loadings are not equivalent to the currently popular state-space models, and that restriction of attention to the latter type of models may yield invalid results. The known equivalent vector autoregressive model types, standard and structural, are given a new interpretation in which they are conceived of as the extremes of an innovating type of hybrid vector autoregressive models. It is shown that consideration of hybrid models solves many problems, in particular with Granger causality testing.

  9. Knowledge and information modeling.

    PubMed

    Madsen, Maria

    2010-01-01

    This chapter gives an educational overview of: * commonly used modelling methods what they represent * the importance of selecting the tools and methods suited to the health information system being designed * how the quality of the information or knowledge model is determined by the quality of the system requirements specification * differentiating between the purpose of information models and knowledge models * the benefits of the openEHR approach for health care data modeling.

  10. Introduction to Adjoint Models

    NASA Technical Reports Server (NTRS)

    Errico, Ronald M.

    2015-01-01

    In this lecture, some fundamentals of adjoint models will be described. This includes a basic derivation of tangent linear and corresponding adjoint models from a parent nonlinear model, the interpretation of adjoint-derived sensitivity fields, a description of methods of automatic differentiation, and the use of adjoint models to solve various optimization problems, including singular vectors. Concluding remarks will attempt to correct common misconceptions about adjoint models and their utilization.

  11. Stable models of superacceleration

    SciTech Connect

    Kaplinghat, Manoj; Rajaraman, Arvind

    2007-05-15

    We discuss an instability in a large class of models where dark energy is coupled to matter. In these models the mass of the scalar field is much larger than the expansion rate of the Universe. We find models in which this instability is absent, and show that these models generically predict an apparent equation of state for dark energy smaller than -1, i.e., superacceleration. These models have no acausal behavior or ghosts.

  12. WASP TRANSPORT MODELING AND WASP ECOLOGICAL MODELING

    EPA Science Inventory

    A combination of lectures, demonstrations, and hands-on excercises will be used to introduce pollutant transport modeling with the U.S. EPA's general water quality model, WASP (Water Quality Analysis Simulation Program). WASP features include a user-friendly Windows-based interfa...

  13. Model Shrinkage for Discriminative Language Models

    NASA Astrophysics Data System (ADS)

    Oba, Takanobu; Hori, Takaaki; Nakamura, Atsushi; Ito, Akinori

    This paper describes a technique for overcoming the model shrinkage problem in automatic speech recognition (ASR), which allows application developers and users to control the model size with less degradation of accuracy. Recently, models for ASR systems tend to be large and this can constitute a bottleneck for developers and users without special knowledge of ASR with respect to introducing the ASR function. Specifically, discriminative language models (DLMs) are usually designed in a high-dimensional parameter space, although DLMs have gained increasing attention as an approach for improving recognition accuracy. Our proposed method can be applied to linear models including DLMs, in which the score of an input sample is given by the inner product of its features and the model parameters, but our proposed method can shrink models in an easy computation by obtaining simple statistics, which are square sums of feature values appearing in a data set. Our experimental results show that our proposed method can shrink a DLM with little degradation in accuracy and perform properly whether or not the data for obtaining the statistics are the same as the data for training the model.

  14. Geochemistry Model Validation Report: External Accumulation Model

    SciTech Connect

    K. Zarrabi

    2001-09-27

    The purpose of this Analysis and Modeling Report (AMR) is to validate the External Accumulation Model that predicts accumulation of fissile materials in fractures and lithophysae in the rock beneath a degrading waste package (WP) in the potential monitored geologic repository at Yucca Mountain. (Lithophysae are voids in the rock having concentric shells of finely crystalline alkali feldspar, quartz, and other materials that were formed due to entrapped gas that later escaped, DOE 1998, p. A-25.) The intended use of this model is to estimate the quantities of external accumulation of fissile material for use in external criticality risk assessments for different types of degrading WPs: U.S. Department of Energy (DOE) Spent Nuclear Fuel (SNF) codisposed with High Level Waste (HLW) glass, commercial SNF, and Immobilized Plutonium Ceramic (Pu-ceramic) codisposed with HLW glass. The scope of the model validation is to (1) describe the model and the parameters used to develop the model, (2) provide rationale for selection of the parameters by comparisons with measured values, and (3) demonstrate that the parameters chosen are the most conservative selection for external criticality risk calculations. To demonstrate the applicability of the model, a Pu-ceramic WP is used as an example. The model begins with a source term from separately documented EQ6 calculations; where the source term is defined as the composition versus time of the water flowing out of a breached waste package (WP). Next, PHREEQC, is used to simulate the transport and interaction of the source term with the resident water and fractured tuff below the repository. In these simulations the primary mechanism for accumulation is mixing of the high pH, actinide-laden source term with resident water; thus lowering the pH values sufficiently for fissile minerals to become insoluble and precipitate. In the final section of the model, the outputs from PHREEQC, are processed to produce mass of accumulation

  15. Trapped Radiation Model Uncertainties: Model-Data and Model-Model Comparisons

    NASA Technical Reports Server (NTRS)

    Armstrong, T. W.; Colborn, B. L.

    2000-01-01

    The standard AP8 and AE8 models for predicting trapped proton and electron environments have been compared with several sets of flight data to evaluate model uncertainties. Model comparisons are made with flux and dose measurements made on various U.S. low-Earth orbit satellites (APEX, CRRES, DMSP, LDEF, NOAA) and Space Shuttle flights, on Russian satellites (Photon-8, Cosmos-1887, Cosmos-2044), and on the Russian Mir Space Station. This report gives the details of the model-data comparisons-summary results in terms of empirical model uncertainty factors that can be applied for spacecraft design applications are given in a combination report. The results of model-model comparisons are also presented from standard AP8 and AE8 model predictions compared with the European Space Agency versions of AP8 and AE8 and with Russian-trapped radiation models.

  16. Trapped Radiation Model Uncertainties: Model-Data and Model-Model Comparisons

    NASA Technical Reports Server (NTRS)

    Armstrong, T. W.; Colborn, B. L.

    2000-01-01

    The standard AP8 and AE8 models for predicting trapped proton and electron environments have been compared with several sets of flight data to evaluate model uncertainties. Model comparisons are made with flux and dose measurements made on various U.S. low-Earth orbit satellites (APEX, CRRES, DMSP. LDEF, NOAA) and Space Shuttle flights, on Russian satellites (Photon-8, Cosmos-1887, Cosmos-2044), and on the Russian Mir space station. This report gives the details of the model-data comparisons -- summary results in terms of empirical model uncertainty factors that can be applied for spacecraft design applications are given in a companion report. The results of model-model comparisons are also presented from standard AP8 and AE8 model predictions compared with the European Space Agency versions of AP8 and AE8 and with Russian trapped radiation models.

  17. Multiple model inference.

    SciTech Connect

    Swiler, Laura Painton; Urbina, Angel

    2010-07-01

    This paper compares three approaches for model selection: classical least squares methods, information theoretic criteria, and Bayesian approaches. Least squares methods are not model selection methods although one can select the model that yields the smallest sum-of-squared error function. Information theoretic approaches balance overfitting with model accuracy by incorporating terms that penalize more parameters with a log-likelihood term to reflect goodness of fit. Bayesian model selection involves calculating the posterior probability that each model is correct, given experimental data and prior probabilities that each model is correct. As part of this calculation, one often calibrates the parameters of each model and this is included in the Bayesian calculations. Our approach is demonstrated on a structural dynamics example with models for energy dissipation and peak force across a bolted joint. The three approaches are compared and the influence of the log-likelihood term in all approaches is discussed.

  18. Model Validation Status Review

    SciTech Connect

    E.L. Hardin

    2001-11-28

    The primary objective for the Model Validation Status Review was to perform a one-time evaluation of model validation associated with the analysis/model reports (AMRs) containing model input to total-system performance assessment (TSPA) for the Yucca Mountain site recommendation (SR). This review was performed in response to Corrective Action Request BSC-01-C-01 (Clark 2001, Krisha 2001) pursuant to Quality Assurance review findings of an adverse trend in model validation deficiency. The review findings in this report provide the following information which defines the extent of model validation deficiency and the corrective action needed: (1) AMRs that contain or support models are identified, and conversely, for each model the supporting documentation is identified. (2) The use for each model is determined based on whether the output is used directly for TSPA-SR, or for screening (exclusion) of features, events, and processes (FEPs), and the nature of the model output. (3) Two approaches are used to evaluate the extent to which the validation for each model is compliant with AP-3.10Q (Analyses and Models). The approaches differ in regard to whether model validation is achieved within individual AMRs as originally intended, or whether model validation could be readily achieved by incorporating information from other sources. (4) Recommendations are presented for changes to the AMRs, and additional model development activities or data collection, that will remedy model validation review findings, in support of licensing activities. The Model Validation Status Review emphasized those AMRs that support TSPA-SR (CRWMS M&O 2000bl and 2000bm). A series of workshops and teleconferences was held to discuss and integrate the review findings. The review encompassed 125 AMRs (Table 1) plus certain other supporting documents and data needed to assess model validity. The AMRs were grouped in 21 model areas representing the modeling of processes affecting the natural and

  19. Modeling nonstationary longitudinal data.

    PubMed

    Núñez-Antón, V; Zimmerman, D L

    2000-09-01

    An important theme of longitudinal data analysis in the past two decades has been the development and use of explicit parametric models for the data's variance-covariance structure. A variety of these models have been proposed, of which most are second-order stationary. A few are flexible enough to accommodate nonstationarity, i.e., nonconstant variances and/or correlations that are not a function solely of elapsed time between measurements. We review five nonstationary models that we regard as most useful: (1) the unstructured covariance model, (2) unstructured antedependence models, (3) structured antedependence models, (4) autoregressive integrated moving average and similar models, and (5) random coefficients models. We evaluate the relative strengths and limitations of each model, emphasizing when it is inappropriate or unlikely to be useful. We present three examples to illustrate the fitting and comparison of the models and to demonstrate that nonstationary longitudinal data can be modeled effectively and, in some cases, quite parsimoniously. In these examples, the antedependence models generally prove to be superior and the random coefficients models prove to be inferior. We conclude that antedependence models should be given much greater consideration than they have historically received.

  20. Modeling volatility using state space models.

    PubMed

    Timmer, J; Weigend, A S

    1997-08-01

    In time series problems, noise can be divided into two categories: dynamic noise which drives the process, and observational noise which is added in the measurement process, but does not influence future values of the system. In this framework, we show that empirical volatilities (the squared relative returns of prices) exhibit a significant amount of observational noise. To model and predict their time evolution adequately, we estimate state space models that explicitly include observational noise. We obtain relaxation times for shocks in the logarithm of volatility ranging from three weeks (for foreign exchange) to three to five months (for stock indices). In most cases, a two-dimensional hidden state is required to yield residuals that are consistent with white noise. We compare these results with ordinary autoregressive models (without a hidden state) and find that autoregressive models underestimate the relaxation times by about two orders of magnitude since they do not distinguish between observational and dynamic noise. This new interpretation of the dynamics of volatility in terms of relaxators in a state space model carries over to stochastic volatility models and to GARCH models, and is useful for several problems in finance, including risk management and the pricing of derivative securities. Data sets used: Olsen & Associates high frequency DEM/USD foreign exchange rates (8 years). Nikkei 225 index (40 years). Dow Jones Industrial Average (25 years).

  1. Reliability model generator

    NASA Technical Reports Server (NTRS)

    McMann, Catherine M. (Inventor); Cohen, Gerald C. (Inventor)

    1991-01-01

    An improved method and system for automatically generating reliability models for use with a reliability evaluation tool is described. The reliability model generator of the present invention includes means for storing a plurality of low level reliability models which represent the reliability characteristics for low level system components. In addition, the present invention includes means for defining the interconnection of the low level reliability models via a system architecture description. In accordance with the principles of the present invention, a reliability model for the entire system is automatically generated by aggregating the low level reliability models based on the system architecture description.

  2. Energy-consumption modelling

    SciTech Connect

    Reiter, E.R.

    1980-01-01

    A highly sophisticated and accurate approach is described to compute on an hourly or daily basis the energy consumption for space heating by individual buildings, urban sectors, and whole cities. The need for models and specifically weather-sensitive models, composite models, and space-heating models are discussed. Development of the Colorado State University Model, based on heat-transfer equations and on a heuristic, adaptive, self-organizing computation learning approach, is described. Results of modeling energy consumption by the city of Minneapolis and Cheyenne are given. Some data on energy consumption in individual buildings are included.

  3. Modeling Guru: Knowledge Base for NASA Modelers

    NASA Astrophysics Data System (ADS)

    Seablom, M. S.; Wojcik, G. S.; van Aartsen, B. H.

    2009-05-01

    Modeling Guru is an on-line knowledge-sharing resource for anyone involved with or interested in NASA's scientific models or High End Computing (HEC) systems. Developed and maintained by the NASA's Software Integration and Visualization Office (SIVO) and the NASA Center for Computational Sciences (NCCS), Modeling Guru's combined forums and knowledge base for research and collaboration is becoming a repository for the accumulated expertise of NASA's scientific modeling and HEC communities. All NASA modelers and associates are encouraged to participate and provide knowledge about the models and systems so that other users may benefit from their experience. Modeling Guru is divided into a hierarchy of communities, each with its own set forums and knowledge base documents. Current modeling communities include those for space science, land and atmospheric dynamics, atmospheric chemistry, and oceanography. In addition, there are communities focused on NCCS systems, HEC tools and libraries, and programming and scripting languages. Anyone may view most of the content on Modeling Guru (available at http://modelingguru.nasa.gov/), but you must log in to post messages and subscribe to community postings. The site offers a full range of "Web 2.0" features, including discussion forums, "wiki" document generation, document uploading, RSS feeds, search tools, blogs, email notification, and "breadcrumb" links. A discussion (a.k.a. forum "thread") is used to post comments, solicit feedback, or ask questions. If marked as a question, SIVO will monitor the thread, and normally respond within a day. Discussions can include embedded images, tables, and formatting through the use of the Rich Text Editor. Also, the user can add "Tags" to their thread to facilitate later searches. The "knowledge base" is comprised of documents that are used to capture and share expertise with others. The default "wiki" document lets users edit within the browser so others can easily collaborate on the

  4. A future of the model organism model

    PubMed Central

    Rine, Jasper

    2014-01-01

    Changes in technology are fundamentally reframing our concept of what constitutes a model organism. Nevertheless, research advances in the more traditional model organisms have enabled fresh and exciting opportunities for young scientists to establish new careers and offer the hope of comprehensive understanding of fundamental processes in life. New advances in translational research can be expected to heighten the importance of basic research in model organisms and expand opportunities. However, researchers must take special care and implement new resources to enable the newest members of the community to engage fully with the remarkable legacy of information in these fields. PMID:24577733

  5. Phase transition of 2×2 adsorbates on FCC(1 1 1) and HCP(0 0 0 1) surfaces

    NASA Astrophysics Data System (ADS)

    Sakamoto, Yoshifumi

    2003-04-01

    Order-disorder transition of adsorbates at metal surfaces is discussed based on Monte Carlo calculations for a lattice gas model on a triangular net. Repulsive interactions up to second neighbour sites and fixed concentration 1/4 of particles of lattice gas, are assumed for the 2×2 ordered structure. Calculated phase diagram and the critical exponent for susceptibility are presented. Stress is put on cases other than the second-order transition belonging to the four-state Potts universality class.

  6. New numerical method to study phase transitions and its applications

    SciTech Connect

    Lee, Jooyoung; Kosterlitz, J.M.

    1991-11-01

    We present a powerful method of identifying the nature of transitions by numerical simulation of finite systems. By studying the finite size scaling properties of free energy barrier between competing states, we can identify unambiguously a weak first order transition even when accessible system sizes are L/{xi} < 0.05 as in the five state Potts model in two dimensions. When studying a continuous phase transition we obtain quite accurate estimates of critical exponents by treating it as a field driven first order transition. The method has been successfully applied to various systems.

  7. Instantons and surface tension at a first-order transition

    NASA Astrophysics Data System (ADS)

    Gupta, Sourendu

    1994-04-01

    We study the dynamics of the first-order phase transition in the two-dimensional 15-state Potts model, both at and off equilibrium. We find that phase changes take place through nucleation in both cases, and finite volume effects are described well through an instanton computation. Thus a dynamical measurement of the surface tension is possible. We find that the order-disorder surface tension is compatible with perfect wetting. An accurate treatment of fluctuations about the instanton solution is seen to be of great importance. Current Address: Theory Group, TIFR, Homi Bhabha Road, Bombay 400005, India.

  8. Adhesion between cells, diffusion of growth factors, and elasticity of the AER produce the paddle shape of the chick limb

    PubMed Central

    Popławski, Nikodem J.; Swat, Maciej; Gens, J. Scott; Glazier, James A.

    2007-01-01

    A central question in developmental biology is how cells interact to organize into tissues? In this paper, we study the role of mesenchyme-ectoderm interaction in the growing chick limb bud using Glazier and Graner's cellular Potts model, a grid-based stochastic framework designed to simulate cell interactions and movement. We simulate cellular mechanisms including cell adhesion, growth, and division and diffusion of morphogens, to show that differential adhesion between the cells, diffusion of growth factors through the extracellular matrix, and the elastic properties of the apical ectodermal ridge together can produce the proper shape of the limb bud. PMID:18167520

  9. Biosphere Model Report

    SciTech Connect

    D.W. Wu; A.J. Smith

    2004-11-08

    The purpose of this report is to document the biosphere model, the Environmental Radiation Model for Yucca Mountain, Nevada (ERMYN), which describes radionuclide transport processes in the biosphere and associated human exposure that may arise as the result of radionuclide release from the geologic repository at Yucca Mountain. The biosphere model is one of the process models that support the Yucca Mountain Project (YMP) Total System Performance Assessment (TSPA) for the license application (LA), TSPA-LA. The ERMYN provides the capability of performing human radiation dose assessments. This report documents the biosphere model, which includes: (1) Describing the reference biosphere, human receptor, exposure scenarios, and primary radionuclides for each exposure scenario (Section 6.1); (2) Developing a biosphere conceptual model using site-specific features, events, and processes (FEPs) (Section 6.2), the reference biosphere (Section 6.1.1), the human receptor (Section 6.1.2), and approximations (Sections 6.3.1.4 and 6.3.2.4); (3) Building a mathematical model using the biosphere conceptual model (Section 6.3) and published biosphere models (Sections 6.4 and 6.5); (4) Summarizing input parameters for the mathematical model, including the uncertainty associated with input values (Section 6.6); (5) Identifying improvements in the ERMYN compared with the model used in previous biosphere modeling (Section 6.7); (6) Constructing an ERMYN implementation tool (model) based on the biosphere mathematical model using GoldSim stochastic simulation software (Sections 6.8 and 6.9); (7) Verifying the ERMYN by comparing output from the software with hand calculations to ensure that the GoldSim implementation is correct (Section 6.10); (8) Validating the ERMYN by corroborating it with published biosphere models; comparing conceptual models, mathematical models, and numerical results (Section 7).

  10. Develop a Model Component

    NASA Technical Reports Server (NTRS)

    Ensey, Tyler S.

    2013-01-01

    During my internship at NASA, I was a model developer for Ground Support Equipment (GSE). The purpose of a model developer is to develop and unit test model component libraries (fluid, electrical, gas, etc.). The models are designed to simulate software for GSE (Ground Special Power, Crew Access Arm, Cryo, Fire and Leak Detection System, Environmental Control System (ECS), etc. .) before they are implemented into hardware. These models support verifying local control and remote software for End-Item Software Under Test (SUT). The model simulates the physical behavior (function, state, limits and 110) of each end-item and it's dependencies as defined in the Subsystem Interface Table, Software Requirements & Design Specification (SRDS), Ground Integrated Schematic (GIS), and System Mechanical Schematic.(SMS). The software of each specific model component is simulated through MATLAB's Simulink program. The intensiv model development life cycle is a.s follows: Identify source documents; identify model scope; update schedule; preliminary design review; develop model requirements; update model.. scope; update schedule; detailed design review; create/modify library component; implement library components reference; implement subsystem components; develop a test script; run the test script; develop users guide; send model out for peer review; the model is sent out for verifictionlvalidation; if there is empirical data, a validation data package is generated; if there is not empirical data, a verification package is generated; the test results are then reviewed; and finally, the user. requests accreditation, and a statement of accreditation is prepared. Once each component model is reviewed and approved, they are intertwined together into one integrated model. This integrated model is then tested itself, through a test script and autotest, so that it can be concluded that all models work conjointly, for a single purpose. The component I was assigned, specifically, was a

  11. Aerosol Modeling for the Global Model Initiative

    NASA Technical Reports Server (NTRS)

    Weisenstein, Debra K.; Ko, Malcolm K. W.

    2001-01-01

    The goal of this project is to develop an aerosol module to be used within the framework of the Global Modeling Initiative (GMI). The model development work will be preformed jointly by the University of Michigan and AER, using existing aerosol models at the two institutions as starting points. The GMI aerosol model will be tested, evaluated against observations, and then applied to assessment of the effects of aircraft sulfur emissions as needed by the NASA Subsonic Assessment in 2001. The work includes the following tasks: 1. Implementation of the sulfur cycle within GMI, including sources, sinks, and aqueous conversion of sulfur. Aerosol modules will be added as they are developed and the GMI schedule permits. 2. Addition of aerosol types other than sulfate particles, including dust, soot, organic carbon, and black carbon. 3. Development of new and more efficient parameterizations for treating sulfate aerosol nucleation, condensation, and coagulation among different particle sizes and types.

  12. Nonlinear Modeling by Assembling Piecewise Linear Models

    NASA Technical Reports Server (NTRS)

    Yao, Weigang; Liou, Meng-Sing

    2013-01-01

    To preserve nonlinearity of a full order system over a parameters range of interest, we propose a simple modeling approach by assembling a set of piecewise local solutions, including the first-order Taylor series terms expanded about some sampling states. The work by Rewienski and White inspired our use of piecewise linear local solutions. The assembly of these local approximations is accomplished by assigning nonlinear weights, through radial basis functions in this study. The efficacy of the proposed procedure is validated for a two-dimensional airfoil moving at different Mach numbers and pitching motions, under which the flow exhibits prominent nonlinear behaviors. All results confirm that our nonlinear model is accurate and stable for predicting not only aerodynamic forces but also detailed flowfields. Moreover, the model is robustness-accurate for inputs considerably different from the base trajectory in form and magnitude. This modeling preserves nonlinearity of the problems considered in a rather simple and accurate manner.

  13. Aggregation in ecosystem models and model stability

    NASA Astrophysics Data System (ADS)

    Giricheva, Evgeniya

    2015-05-01

    Using a multimodal approach to research ecosystems improves usage of available information on an object. This study presents several models of the Bering Sea ecosystem. The ecosystem is considered as a closed object, that is, the influence of the environment is not provided. We then add the links with the external medium in the models. The models differ in terms of the degree and method of grouping components. Our method is based on the differences in habitat and food source of groups, which allows us to determine the grouping of species with a greater effect on system dynamics. In particular, we determine whether benthic fish aggregation or pelagic fish aggregation can change the consumption structure of some groups of species, and consequently, the behavior of the entire model system.

  14. PREDICTIVE MODELS. Enhanced Oil Recovery Model

    SciTech Connect

    Ray, R.M.

    1992-02-26

    PREDICTIVE MODELS is a collection of five models - CFPM, CO2PM, ICPM, PFPM, and SFPM - used in the 1982-1984 National Petroleum Council study of enhanced oil recovery (EOR) potential. Each pertains to a specific EOR process designed to squeeze additional oil from aging or spent oil fields. The processes are: 1 chemical flooding, where soap-like surfactants are injected into the reservoir to wash out the oil; 2 carbon dioxide miscible flooding, where carbon dioxide mixes with the lighter hydrocarbons making the oil easier to displace; 3 in-situ combustion, which uses the heat from burning some of the underground oil to thin the product; 4 polymer flooding, where thick, cohesive material is pumped into a reservoir to push the oil through the underground rock; and 5 steamflood, where pressurized steam is injected underground to thin the oil. CFPM, the Chemical Flood Predictive Model, models micellar (surfactant)-polymer floods in reservoirs, which have been previously waterflooded to residual oil saturation. Thus, only true tertiary floods are considered. An option allows a rough estimate of oil recovery by caustic or caustic-polymer processes. CO2PM, the Carbon Dioxide miscible flooding Predictive Model, is applicable to both secondary (mobile oil) and tertiary (residual oil) floods, and to either continuous CO2 injection or water-alternating gas processes. ICPM, the In-situ Combustion Predictive Model, computes the recovery and profitability of an in-situ combustion project from generalized performance predictive algorithms. PFPM, the Polymer Flood Predictive Model, is switch-selectable for either polymer or waterflooding, and an option allows the calculation of the incremental oil recovery and economics of polymer relative to waterflooding. SFPM, the Steamflood Predictive Model, is applicable to the steam drive process, but not to cyclic steam injection (steam soak) processes.

  15. Of Molecules and Models.

    ERIC Educational Resources Information Center

    Brinner, Bonnie

    1992-01-01

    Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

  16. Bounding Species Distribution Models

    NASA Technical Reports Server (NTRS)

    Stohlgren, Thomas J.; Jarnevich, Cahterine S.; Morisette, Jeffrey T.; Esaias, Wayne E.

    2011-01-01

    Species distribution models are increasing in popularity for mapping suitable habitat for species of management concern. Many investigators now recognize that extrapolations of these models with geographic information systems (GIS) might be sensitive to the environmental bounds of the data used in their development, yet there is no recommended best practice for "clamping" model extrapolations. We relied on two commonly used modeling approaches: classification and regression tree (CART) and maximum entropy (Maxent) models, and we tested a simple alteration of the model extrapolations, bounding extrapolations to the maximum and minimum values of primary environmental predictors, to provide a more realistic map of suitable habitat of hybridized Africanized honey bees in the southwestern United States. Findings suggest that multiple models of bounding, and the most conservative bounding of species distribution models, like those presented here, should probably replace the unbounded or loosely bounded techniques currently used [Current Zoology 57 (5): 642-647, 2011].

  17. Mass modeling for bars

    NASA Technical Reports Server (NTRS)

    Butler, Thomas G.

    1987-01-01

    Methods of modeling mass for bars are surveyed. A method for extending John Archer's concept of consistent mass beyond just translational inertia effects is included. Recommendations are given for various types of modeling situations.

  18. Green Infrastructure Modeling Toolkit

    EPA Pesticide Factsheets

    EPA's Green Infrastructure Modeling Toolkit is a toolkit of 5 EPA green infrastructure models and tools, along with communication materials, that can be used as a teaching tool and a quick reference resource when making GI implementation decisions.

  19. X-33 RCS model

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Model support system and instumentation cabling of the 1% scale X-33 reaction control system model. Installed in the Unitary Plan Wind Tunnel for supersonic testing. In building 1251, test section #2.

  20. SEDIMENT GEOCHEMICAL MODEL

    EPA Science Inventory

    Until recently, sediment geochemical models (diagenetic models) have been only able to explain sedimentary flux and concentration profiles for a few simplified geochemical cycles (e.g., nitrogen, carbon and sulfur). However with advances in numerical methods, increased accuracy ...

  1. Modeling EERE deployment programs

    SciTech Connect

    Cort, K. A.; Hostick, D. J.; Belzer, D. B.; Livingston, O. V.

    2007-11-01

    The purpose of the project was to identify and characterize the modeling of deployment programs within the EERE Technology Development (TD) programs, address possible improvements to the modeling process, and note gaps in knowledge for future research.

  2. The Model Builders

    NASA Technical Reports Server (NTRS)

    1991-01-01

    This video explores the world of modeling at the NASA Johnson Space Center. Artisans create models, large and small, to help scientists and engineers make final design modifications before building more costly prototypes.

  3. Model comparison in ANOVA.

    PubMed

    Rouder, Jeffrey N; Engelhardt, Christopher R; McCabe, Simon; Morey, Richard D

    2016-12-01

    Analysis of variance (ANOVA), the workhorse analysis of experimental designs, consists of F-tests of main effects and interactions. Yet, testing, including traditional ANOVA, has been recently critiqued on a number of theoretical and practical grounds. In light of these critiques, model comparison and model selection serve as an attractive alternative. Model comparison differs from testing in that one can support a null or nested model vis-a-vis a more general alternative by penalizing more flexible models. We argue this ability to support more simple models allows for more nuanced theoretical conclusions than provided by traditional ANOVA F-tests. We provide a model comparison strategy and show how ANOVA models may be reparameterized to better address substantive questions in data analysis.

  4. Protein solubility modeling

    NASA Technical Reports Server (NTRS)

    Agena, S. M.; Pusey, M. L.; Bogle, I. D.

    1999-01-01

    A thermodynamic framework (UNIQUAC model with temperature dependent parameters) is applied to model the salt-induced protein crystallization equilibrium, i.e., protein solubility. The framework introduces a term for the solubility product describing protein transfer between the liquid and solid phase and a term for the solution behavior describing deviation from ideal solution. Protein solubility is modeled as a function of salt concentration and temperature for a four-component system consisting of a protein, pseudo solvent (water and buffer), cation, and anion (salt). Two different systems, lysozyme with sodium chloride and concanavalin A with ammonium sulfate, are investigated. Comparison of the modeled and experimental protein solubility data results in an average root mean square deviation of 5.8%, demonstrating that the model closely follows the experimental behavior. Model calculations and model parameters are reviewed to examine the model and protein crystallization process. Copyright 1999 John Wiley & Sons, Inc.

  5. Consistent model driven architecture

    NASA Astrophysics Data System (ADS)

    Niepostyn, Stanisław J.

    2015-09-01

    The goal of the MDA is to produce software systems from abstract models in a way where human interaction is restricted to a minimum. These abstract models are based on the UML language. However, the semantics of UML models is defined in a natural language. Subsequently the verification of consistency of these diagrams is needed in order to identify errors in requirements at the early stage of the development process. The verification of consistency is difficult due to a semi-formal nature of UML diagrams. We propose automatic verification of consistency of the series of UML diagrams originating from abstract models implemented with our consistency rules. This Consistent Model Driven Architecture approach enables us to generate automatically complete workflow applications from consistent and complete models developed from abstract models (e.g. Business Context Diagram). Therefore, our method can be used to check practicability (feasibility) of software architecture models.

  6. Ginocchio model with isospin

    NASA Astrophysics Data System (ADS)

    Okai, Tadashi; Otsuka, Takaharu; Arima, Akito

    1992-02-01

    We study the sp(8) subgroup of the isospin-invariant Ginnocchio model. The allowed quantum numbers are determined in terms of Young's diagrams. Using this result, we discuss the excitation energy of a model hamiltonian.

  7. Modeling DNA Replication.

    ERIC Educational Resources Information Center

    Bennett, Joan

    1998-01-01

    Recommends the use of a model of DNA made out of Velcro to help students visualize the steps of DNA replication. Includes a materials list, construction directions, and details of the demonstration using the model parts. (DDR)

  8. Bounding species distribution models

    USGS Publications Warehouse

    Stohlgren, T.J.; Jarnevich, C.S.; Esaias, W.E.; Morisette, J.T.

    2011-01-01

    Species distribution models are increasing in popularity for mapping suitable habitat for species of management concern. Many investigators now recognize that extrapolations of these models with geographic information systems (GIS) might be sensitive to the environmental bounds of the data used in their development, yet there is no recommended best practice for "clamping" model extrapolations. We relied on two commonly used modeling approaches: classification and regression tree (CART) and maximum entropy (Maxent) models, and we tested a simple alteration of the model extrapolations, bounding extrapolations to the maximum and minimum values of primary environmental predictors, to provide a more realistic map of suitable habitat of hybridized Africanized honey bees in the southwestern United States. Findings suggest that multiple models of bounding, and the most conservative bounding of species distribution models, like those presented here, should probably replace the unbounded or loosely bounded techniques currently used. ?? 2011 Current Zoology.

  9. Modelling pelagic biogeography

    NASA Astrophysics Data System (ADS)

    Olson, Donald B.; Hood, Raleigh R.

    Various combinations of physical and biological models are used to explore factors that determine the distribution of organisms in the world's oceans. The physical models examined include simple box models with parameterized inter-box exchanges that take into account variable box geometries, and specified continuous flows either in the Eulerian frame as stream-functions or as Lagrangian trajectories. A 1-dimensional mixed-layer model and a primitive equation channel model are introduced as examples of dynamical models depicting ocean physics. Biological models are discussed starting with a simple nitrogen (N), phytoplankton (P), zooplankton (Z) and detritus (D), NPZD formulation. The equilibria of this model is explored analytically as an example of computing steady state solutions, and then considering where in parameter space extinction occurs. Nonlinearities and expansion of NPZD to multi-species models are also treated. This is followed by the introduction of a nonlinear three-component food chain model, multi-species Lotka-Voltera competition models, and finally a discussion of structured population models including a derivation of a genetics model written in terms of genotypes. The physical models are then coupled with the biological ones in a series of examples. Both the box model with Lotka-Voltera multi-species population dynamics, and the 1-dimensional mixed-layer model with NPZD are used to demonstrate how the existence of spatial and temporal niches can allow a large number of species to coexist within biogeographic domains even though conditions at most sites and times are not conducive to supporting such diversity. These models recreate the basic diversity patterns observed in the pelagic ecosystem at various latitudes. The box model simulations also demonstrate the tendency for diffusive models to overestimate the dispersion of a species. In order to explore the dynamics of the edges of biogeographic domains a three species food chain model is

  10. Hierarchical Bass model

    NASA Astrophysics Data System (ADS)

    Tashiro, Tohru

    2014-03-01

    We propose a new model about diffusion of a product which includes a memory of how many adopters or advertisements a non-adopter met, where (non-)adopters mean people (not) possessing the product. This effect is lacking in the Bass model. As an application, we utilize the model to fit the iPod sales data, and so the better agreement is obtained than the Bass model.

  11. Methodology for Stochastic Modeling.

    DTIC Science & Technology

    1985-01-01

    AD-AISS 851 METHODOLOGY FOR STOCHASTIC MODELING(U) ARMY MATERIEL 11 SYSTEMS ANALYSIS ACTIYITY ABERDEEN PROVING GROUND MD H E COHEN JAN 95 RNSAA-TR-41...FORM T REPORT NUMBER 2. GOVT ACCESSION NO. 3. RECIPIENT’$ CATALOG NUMBER 4. TITLE (and Subtitle) S. TYPE OF REPORT & PERIOD COVERED Methodology for...autoregression models, moving average models, ARMA, adaptive modeling, covariance methods , singular value decom- position, order determination rational

  12. Reinforced Concrete Modeling

    DTIC Science & Technology

    1982-07-01

    AFWL-TR-82-9 AFWL-TR-82-9 REINFORCED CONCRETE MODELING H. L. Schreyer J. W. Jeter, Jr. New Mexico Engineering Reseprch Institute University of New...Subtitle) S. TYPE OF REPORT & PERIOD COVERED REINFORCED CONCRETE MODELING Final Report 6. PERFORMING OtG. REPORT NUMBER NMERI TA8-9 7. AUTHORg) S...loading were identified and used to evaluate current concrete models . Since the endochronic and viscoplastic models provide satisfactory descriptions

  13. Atmospheric density models

    NASA Technical Reports Server (NTRS)

    Mueller, A. C.

    1977-01-01

    An atmospheric model developed by Jacchia, quite accurate but requiring a large amount of computer storage and execution time, was found to be ill-suited for the space shuttle onboard program. The development of a simple atmospheric density model to simulate the Jacchia model was studied. Required characteristics including variation with solar activity, diurnal variation, variation with geomagnetic activity, semiannual variation, and variation with height were met by the new atmospheric density model.

  14. Soil moisture modeling review

    NASA Technical Reports Server (NTRS)

    Hildreth, W. W.

    1978-01-01

    A determination of the state of the art in soil moisture transport modeling based on physical or physiological principles was made. It was found that soil moisture models based on physical principles have been under development for more than 10 years. However, these models were shown to represent infiltration and redistribution of soil moisture quite well. Evapotranspiration has not been as adequately incorporated into the models.

  15. Model Engineering using Multimodeling

    DTIC Science & Technology

    2008-04-16

    given as a Statecharts model, and interprets it as a hierarchical multimodel. We then show an equivalent model constructed with Ptolemy II [13] that...That work followed on Ptolemy Classic [9], which provided a software architecture supporting a general form of hierarchical multimodeling. In [9...Colif [10]. This approach does not segregate distinct models of computation hierarchically. Ptolemy Classic [9] also illustrated multi-view modeling

  16. Mathematical circulatory system model

    NASA Technical Reports Server (NTRS)

    Lakin, William D. (Inventor); Stevens, Scott A. (Inventor)

    2010-01-01

    A system and method of modeling a circulatory system including a regulatory mechanism parameter. In one embodiment, a regulatory mechanism parameter in a lumped parameter model is represented as a logistic function. In another embodiment, the circulatory system model includes a compliant vessel, the model having a parameter representing a change in pressure due to contraction of smooth muscles of a wall of the vessel.

  17. Future of groundwater modeling

    USGS Publications Warehouse

    Langevin, Christian D.; Panday, Sorab

    2012-01-01

    With an increasing need to better manage water resources, the future of groundwater modeling is bright and exciting. However, while the past can be described and the present is known, the future of groundwater modeling, just like a groundwater model result, is highly uncertain and any prediction is probably not going to be entirely representative. Thus we acknowledge this as we present our vision of where groundwater modeling may be headed.

  18. Surface complexation modeling

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Adsorption-desorption reactions are important processes that affect the transport of contaminants in the environment. Surface complexation models are chemical models that can account for the effects of variable chemical conditions, such as pH, on adsorption reactions. These models define specific ...

  19. Rock Properties Model

    SciTech Connect

    C. Lum

    2004-09-16

    The purpose of this model report is to document the Rock Properties Model version 3.1 with regard to input data, model methods, assumptions, uncertainties and limitations of model results, and qualification status of the model. The report also documents the differences between the current and previous versions and validation of the model. The rock properties model provides mean matrix and lithophysae porosity, and the cross-correlated mean bulk density as direct input to the ''Saturated Zone Flow and Transport Model Abstraction'', MDL-NBS-HS-000021, REV 02 (BSC 2004 [DIRS 170042]). The constraints, caveats, and limitations associated with this model are discussed in Section 6.6 and 8.2. Model validation accomplished by corroboration with data not cited as direct input is discussed in Section 7. The revision of this model report was performed as part of activities being conducted under the ''Technical Work Plan for: The Integrated Site Model, Revision 05'' (BSC 2004 [DIRS 169635]). The purpose of this revision is to bring the report up to current procedural requirements and address the Regulatory Integration Team evaluation comments. The work plan describes the scope, objectives, tasks, methodology, and procedures for this process.

  20. General Graded Response Model.

    ERIC Educational Resources Information Center

    Samejima, Fumiko

    This paper describes the graded response model. The graded response model represents a family of mathematical models that deal with ordered polytomous categories, such as: (1) letter grading; (2) an attitude survey with "strongly disagree, disagree, agree, and strongly agree" choices; (3) partial credit given in accord with an…

  1. Models, Norms and Sharing.

    ERIC Educational Resources Information Center

    Harris, Mary B.

    To investigate the effect of modeling on altruism, 156 third and fifth grade children were exposed to a model who either shared with them, gave to a charity, or refused to share. The test apparatus, identified as a game, consisted of a box with signal lights and a chute through which marbles were dispensed. Subjects and the model played the game…

  2. Designing cyclic universe models.

    PubMed

    Khoury, Justin; Steinhardt, Paul J; Turok, Neil

    2004-01-23

    The phenomenological constraints on the scalar field potential in cyclic models of the Universe are presented. We show that cyclic models require a comparable degree of tuning to that needed for inflationary models. The constraints are reduced to a set of simple design rules including "fast-roll" parameters analogous to the "slow-roll" parameters in inflation.

  3. Modelling Vocabulary Loss

    ERIC Educational Resources Information Center

    Meara, Paul

    2004-01-01

    This paper describes some simple simulation models of vocabulary attrition. The attrition process is modelled using a random autonomous Boolean network model, and some parallels with real attrition data are drawn. The paper argues that applying a complex systems approach to attrition can provide some important insights, which suggest that real…

  4. Open Source Molecular Modeling

    PubMed Central

    Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

    2016-01-01

    The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. PMID:27631126

  5. A Model Performance

    ERIC Educational Resources Information Center

    Thornton, Bradley D.; Smalley, Robert A.

    2008-01-01

    Building information modeling (BIM) uses three-dimensional modeling concepts, information technology and interoperable software to design, construct and operate a facility. However, BIM can be more than a tool for virtual modeling--it can provide schools with a 3-D walkthrough of a project while it still is on the electronic drawing board. BIM can…

  6. Modeling EERE Deployment Programs

    SciTech Connect

    Cort, K. A.; Hostick, D. J.; Belzer, D. B.; Livingston, O. V.

    2007-11-01

    This report compiles information and conclusions gathered as part of the “Modeling EERE Deployment Programs” project. The purpose of the project was to identify and characterize the modeling of deployment programs within the EERE Technology Development (TD) programs, address possible improvements to the modeling process, and note gaps in knowledge in which future research is needed.

  7. Modeling Applications and Tools

    EPA Pesticide Factsheets

    The U.S. EPA's Air Quality Modeling Group (AQMG) conducts modeling analyses to support policy and regulatory decisions in OAR and provides leadership and direction on the full range of air quality models and other mathematical simulation techniques used in

  8. Model Rockets and Microchips.

    ERIC Educational Resources Information Center

    Fitzsimmons, Charles P.

    1986-01-01

    Points out the instructional applications and program possibilities of a unit on model rocketry. Describes the ways that microcomputers can assist in model rocket design and in problem calculations. Provides a descriptive listing of model rocket software for the Apple II microcomputer. (ML)

  9. IR DIAL performance modeling

    SciTech Connect

    Sharlemann, E.T.

    1994-07-01

    We are developing a DIAL performance model for CALIOPE at LLNL. The intent of the model is to provide quick and interactive parameter sensitivity calculations with immediate graphical output. A brief overview of the features of the performance model is given, along with an example of performance calculations for a non-CALIOPE application.

  10. Modeling and Remodeling Writing

    ERIC Educational Resources Information Center

    Hayes, John R.

    2012-01-01

    In Section 1 of this article, the author discusses the succession of models of adult writing that he and his colleagues have proposed from 1980 to the present. He notes the most important changes that differentiate earlier and later models and discusses reasons for the changes. In Section 2, he describes his recent efforts to model young…

  11. Campus Energy Modeling Platform

    SciTech Connect

    Sides, Scott; Kemper, Travis; Larsen, Ross; Graf, Peter

    2014-09-19

    NREL's Campus Energy Modeling project provides a suite of simulation tools for integrated, data driven energy modeling of commercial buildings and campuses using Simulink. The tools enable development of fully interconnected models for commercial campus energy infrastructure, including electrical distribution systems, district heating and cooling, onsite generation (both conventional and renewable), building loads, energy storage, and control systems.

  12. Modeling Natural Selection

    ERIC Educational Resources Information Center

    Bogiages, Christopher A.; Lotter, Christine

    2011-01-01

    In their research, scientists generate, test, and modify scientific models. These models can be shared with others and demonstrate a scientist's understanding of how the natural world works. Similarly, students can generate and modify models to gain a better understanding of the content, process, and nature of science (Kenyon, Schwarz, and Hug…

  13. Groves model accuracy study

    NASA Astrophysics Data System (ADS)

    Peterson, Matthew C.

    1991-08-01

    The United States Air Force Environmental Technical Applications Center (USAFETAC) was tasked to review the scientific literature for studies of the Groves Neutral Density Climatology Model and compare the Groves Model with others in the 30-60 km range. The tasking included a request to investigate the merits of comparing accuracy of the Groves Model to rocketsonde data. USAFETAC analysts found the Groves Model to be state of the art for middle-atmospheric climatological models. In reviewing previous comparisons with other models and with space shuttle-derived atmospheric densities, good density vs altitude agreement was found in almost all cases. A simple technique involving comparison of the model with range reference atmospheres was found to be the most economical way to compare the Groves Model with rocketsonde data; an example of this type is provided. The Groves 85 Model is used routinely in USAFETAC's Improved Point Analysis Model (IPAM). To create this model, Dr. Gerald Vann Groves produced tabulations of atmospheric density based on data derived from satellite observations and modified by rocketsonde observations. Neutral Density as presented here refers to the monthly mean density in 10-degree latitude bands as a function of altitude. The Groves 85 Model zonal mean density tabulations are given in their entirety.

  14. The Accreditation Plus Model.

    ERIC Educational Resources Information Center

    Ayers, Jerry B.; And Others

    1988-01-01

    The Accreditation Plus model developed by the Center for Teacher Education Evaluation of Tennessee Technological University (Cookeville) for evaluation of teacher education programs is described. An amalgamation of the accreditation model and use-tailored evaluation plans, the model calls for informed eclecticism in the assembly of evaluation…

  15. Improved analytic nutation model

    NASA Technical Reports Server (NTRS)

    Yoder, C. F.; Ivins, E. R.

    1988-01-01

    Models describing the earth's nutations are discussed. It is found that the simple model of Sasao et al., (1981) differs from Wahr's (1981) theory term by term by less than 0.3 marcsec if a modern earth structure model is used to evaluate the nutation structure constants. In addition, the effect of oceans is estimated.

  16. Modeling Climate Dynamically

    ERIC Educational Resources Information Center

    Walsh, Jim; McGehee, Richard

    2013-01-01

    A dynamical systems approach to energy balance models of climate is presented, focusing on low order, or conceptual, models. Included are global average and latitude-dependent, surface temperature models. The development and analysis of the differential equations and corresponding bifurcation diagrams provides a host of appropriate material for…

  17. Model Breaking Points Conceptualized

    ERIC Educational Resources Information Center

    Vig, Rozy; Murray, Eileen; Star, Jon R.

    2014-01-01

    Current curriculum initiatives (e.g., National Governors Association Center for Best Practices and Council of Chief State School Officers 2010) advocate that models be used in the mathematics classroom. However, despite their apparent promise, there comes a point when models break, a point in the mathematical problem space where the model cannot,…

  18. Modern Media Education Models

    ERIC Educational Resources Information Center

    Fedorov, Alexander

    2011-01-01

    The author supposed that media education models can be divided into the following groups: (1) educational-information models (the study of the theory, history, language of media culture, etc.), based on the cultural, aesthetic, semiotic, socio-cultural theories of media education; (2) educational-ethical models (the study of moral, religions,…

  19. Models and Indicators.

    ERIC Educational Resources Information Center

    Land, Kenneth C.

    2001-01-01

    Examines the definition, construction, and interpretation of social indicators. Shows how standard classes of formalisms used to construct models in contemporary sociology are derived from the general theory of models. Reviews recent model building and evaluation related to active life expectancy among the elderly, fertility rates, and indicators…

  20. Generalized Latent Trait Models.

    ERIC Educational Resources Information Center

    Moustaki, Irini; Knott, Martin

    2000-01-01

    Discusses a general model framework within which manifest variables with different distributions in the exponential family can be analyzed with a latent trait model. Presents a unified maximum likelihood method for estimating the parameters of the generalized latent trait model and discusses the scoring of individuals on the latent dimensions.…

  1. Molecular Models in Biology

    ERIC Educational Resources Information Center

    Goodman, Richard E.

    1970-01-01

    Describes types of molecular models (ball-and-stick, framework, and space-filling) and evaluates commercially available kits. Gives instructions for constructive models from polystyrene balls and pipe-cleaners. Models are useful for class demonstrations although not sufficiently accurate for research use. Illustrations show biologically important…

  2. A Model Chemistry Class.

    ERIC Educational Resources Information Center

    Summerlin, Lee; Borgford, Christie

    1989-01-01

    Described is an activity which uses a 96-well reaction plate and soda straws to construct a model of the periodic table of the elements. The model illustrates the ionization energies of the various elements. Construction of the model and related concepts are discussed. (CW)

  3. Models for Products

    ERIC Educational Resources Information Center

    Speiser, Bob; Walter, Chuck

    2011-01-01

    This paper explores how models can support productive thinking. For us a model is a "thing", a tool to help make sense of something. We restrict attention to specific models for whole-number multiplication, hence the wording of the title. They support evolving thinking in large measure through the ways their users redesign them. They assume new…

  4. How the Whole School, Whole Community, Whole Child Model Works: Creating Greater Alignment, Integration, and Collaboration Between Health and Education

    PubMed Central

    Chiang, Rachelle Johnsson; Meagher, Whitney; Slade, Sean

    2015-01-01

    BACKGROUND The Whole School, Whole Community, Whole Child (WSCC) model calls for greater collaboration across the community, school, and health sectors to meet the needs and support the full potential of each child. This article reports on how 3 states and 2 local school districts have implemented aspects of the WSCC model through collaboration, leadership and policy creation, alignment, and implementation. METHODS We searched state health and education department websites, local school district websites, state legislative databases, and sources of peer-reviewed and gray literature to identify materials demonstrating adoption and implementation of coordinated school health, the WSCC model, and associated policies and practices in identified states and districts. We conducted informal interviews in each state and district to reinforce the document review. RESULTS States and local school districts have been able to strategically increase collaboration, integration, and alignment of health and education through the adoption and implementation of policy and practice supporting the WSCC model. Successful utilization of the WSCC model has led to substantial positive changes in school health environments, policies, and practices. CONCLUSIONS Collaboration among health and education sectors to integrate and align services may lead to improved efficiencies and better health and education outcomes for students. PMID:26440819

  5. Advances in Watershed Models and Modeling

    NASA Astrophysics Data System (ADS)

    Yeh, G. T.; Zhang, F.

    2015-12-01

    The development of watershed models and their applications to real-world problems has evolved significantly since 1960's. Watershed models can be classified based on what media are included, what processes are dealt with, and what approaches are taken. In term of media, a watershed may include segregated overland regime, river-canal-open channel networks, ponds-reservoirs-small lakes, and subsurface media. It may also include integrated media of all these or a partial set of these as well as man-made control structures. In term of processes, a watershed model may deal with coupled or decoupled hydrological and biogeochemical cycles. These processes include fluid flow, thermal transport, salinity transport, sediment transport, reactive transport, and biota and microbe kinetics. In terms of approaches, either parametric or physics-based approach can be taken. This talk discusses the evolution of watershed models in the past sixty years. The advances of watershed models center around their increasing design capability to foster these segregated or integrated media and coupled or decoupled processes. Widely used models developed by academia, research institutes, government agencies, and private industries will be reviewed in terms of the media and processes included as well as approaches taken. Many types of potential benchmark problems in general can be proposed and will be discussed. This presentation will focus on three benchmark problems of biogeochemical cycles. These three problems, dealing with water quality transport, will be formulated in terms of reactive transport. Simulation results will be illustrated using WASH123D, a watershed model developed and continuously updated by the author and his PhD graduates. Keywords: Hydrological Cycles, Biogeochemical Cycles, Biota Kinetics, Parametric Approach, Physics-based Approach, Reactive Transport.

  6. 43 CFR 2623.3 - States not permitted to dispose of lands except with reservation of minerals.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... (2000) STATE GRANTS School Land Grants to Certain States Extended To Include Mineral Sections § 2623.3... section 1 of the Act of January 25, 1927, provides: That the additional grant made by this Act is upon the express condition that all sales, grants, deeds, or patents for any of the lands so granted shall...

  7. 43 CFR 2623.3 - States not permitted to dispose of lands except with reservation of minerals.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... (2000) STATE GRANTS School Land Grants to Certain States Extended To Include Mineral Sections § 2623.3... section 1 of the Act of January 25, 1927, provides: That the additional grant made by this Act is upon the express condition that all sales, grants, deeds, or patents for any of the lands so granted shall...

  8. 43 CFR 2623.3 - States not permitted to dispose of lands except with reservation of minerals.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... (2000) STATE GRANTS School Land Grants to Certain States Extended To Include Mineral Sections § 2623.3... section 1 of the Act of January 25, 1927, provides: That the additional grant made by this Act is upon the express condition that all sales, grants, deeds, or patents for any of the lands so granted shall...

  9. 43 CFR 2623.3 - States not permitted to dispose of lands except with reservation of minerals.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... (2000) STATE GRANTS School Land Grants to Certain States Extended To Include Mineral Sections § 2623.3... section 1 of the Act of January 25, 1927, provides: That the additional grant made by this Act is upon the express condition that all sales, grants, deeds, or patents for any of the lands so granted shall...

  10. 9 CFR 331.3 - States designated under paragraph 301(c) of the Act; application of regulations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 9 Animals and Animal Products 2 2011-01-01 2011-01-01 false States designated under paragraph 301(c) of the Act; application of regulations. 331.3 Section 331.3 Animals and Animal Products FOOD... DESIGNATED STATES AND TERRITORIES; AND FOR DESIGNATION OF ESTABLISHMENTS WHICH ENDANGER PUBLIC HEALTH AND...

  11. 9 CFR 331.3 - States designated under paragraph 301(c) of the Act; application of regulations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 9 Animals and Animal Products 2 2013-01-01 2013-01-01 false States designated under paragraph 301(c) of the Act; application of regulations. 331.3 Section 331.3 Animals and Animal Products FOOD... DESIGNATED STATES AND TERRITORIES; AND FOR DESIGNATION OF ESTABLISHMENTS WHICH ENDANGER PUBLIC HEALTH AND...

  12. 9 CFR 331.3 - States designated under paragraph 301(c) of the Act; application of regulations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 9 Animals and Animal Products 2 2014-01-01 2014-01-01 false States designated under paragraph 301(c) of the Act; application of regulations. 331.3 Section 331.3 Animals and Animal Products FOOD... DESIGNATED STATES AND TERRITORIES; AND FOR DESIGNATION OF ESTABLISHMENTS WHICH ENDANGER PUBLIC HEALTH AND...

  13. 9 CFR 331.3 - States designated under paragraph 301(c) of the Act; application of regulations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 9 Animals and Animal Products 2 2012-01-01 2012-01-01 false States designated under paragraph 301(c) of the Act; application of regulations. 331.3 Section 331.3 Animals and Animal Products FOOD... DESIGNATED STATES AND TERRITORIES; AND FOR DESIGNATION OF ESTABLISHMENTS WHICH ENDANGER PUBLIC HEALTH AND...

  14. 9 CFR 331.3 - States designated under paragraph 301(c) of the Act; application of regulations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 9 Animals and Animal Products 2 2010-01-01 2010-01-01 false States designated under paragraph 301(c) of the Act; application of regulations. 331.3 Section 331.3 Animals and Animal Products FOOD... DESIGNATED STATES AND TERRITORIES; AND FOR DESIGNATION OF ESTABLISHMENTS WHICH ENDANGER PUBLIC HEALTH AND...

  15. Transgenesis for pig models

    PubMed Central

    Yum, Soo-Young; Yoon, Ki-Young; Lee, Choong-Il; Lee, Byeong-Chun

    2016-01-01

    Animal models, particularly pigs, have come to play an important role in translational biomedical research. There have been many pig models with genetically modifications via somatic cell nuclear transfer (SCNT). However, because most transgenic pigs have been produced by random integration to date, the necessity for more exact gene-mutated models using recombinase based conditional gene expression like mice has been raised. Currently, advanced genome-editing technologies enable us to generate specific gene-deleted and -inserted pig models. In the future, the development of pig models with gene editing technologies could be a valuable resource for biomedical research. PMID:27030199

  16. UZ Colloid Transport Model

    SciTech Connect

    M. McGraw

    2000-04-13

    The UZ Colloid Transport model development plan states that the objective of this Analysis/Model Report (AMR) is to document the development of a model for simulating unsaturated colloid transport. This objective includes the following: (1) use of a process level model to evaluate the potential mechanisms for colloid transport at Yucca Mountain; (2) Provide ranges of parameters for significant colloid transport processes to Performance Assessment (PA) for the unsaturated zone (UZ); (3) Provide a basis for development of an abstracted model for use in PA calculations.

  17. Mathematical modeling in neuroendocrinology.

    PubMed

    Bertram, Richard

    2015-04-01

    Mathematical models are commonly used in neuroscience, both as tools for integrating data and as devices for designing new experiments that test model predictions. The wide range of relevant spatial and temporal scales in the neuroendocrine system makes neuroendocrinology a branch of neuroscience with great potential for modeling. This article provides an overview of concepts that are useful for understanding mathematical models of the neuroendocrine system, as well as design principles that have been illuminated through the use of mathematical models. These principles are found over and over again in cellular dynamics, and serve as building blocks for understanding some of the complex temporal dynamics that are exhibited throughout the neuroendocrine system.

  18. Models of Goldstone gauginos

    NASA Astrophysics Data System (ADS)

    Alves, Daniele S. M.; Galloway, Jamison; McCullough, Matthew; Weiner, Neal

    2016-04-01

    Models with Dirac gauginos are appealing scenarios for physics beyond the Standard Model. They have smaller radiative corrections to scalar soft masses, a suppression of certain supersymmetry (SUSY) production processes at the LHC, and ameliorated flavor constraints. Unfortunately, they are generically plagued by tachyons charged under the Standard Model, and attempts to eliminate such states typically spoil the positive features. The recently proposed "Goldstone gaugino" mechanism provides a simple realization of Dirac gauginos that is automatically free of dangerous tachyonic states. We provide details on this mechanism and explore models for its origin. In particular, we find SUSY QCD models that realize this idea simply and discuss scenarios for unification.

  19. Mechanics of materials model

    NASA Technical Reports Server (NTRS)

    Meister, Jeffrey P.

    1987-01-01

    The Mechanics of Materials Model (MOMM) is a three-dimensional inelastic structural analysis code for use as an early design stage tool for hot section components. MOMM is a stiffness method finite element code that uses a network of beams to characterize component behavior. The MOMM contains three material models to account for inelastic material behavior. These include the simplified material model, which assumes a bilinear stress-strain response; the state-of-the-art model, which utilizes the classical elastic-plastic-creep strain decomposition; and Walker's viscoplastic model, which accounts for the interaction between creep and plasticity that occurs under cyclic loading conditions.

  20. Laser Range Camera Modeling

    SciTech Connect

    Storjohann, K.

    1990-01-01

    This paper describes an imaging model that was derived for use with a laser range camera (LRC) developed by the Advanced Intelligent Machines Division of Odetics. However, this model could be applied to any comparable imaging system. Both the derivation of the model and the determination of the LRC's intrinsic parameters are explained. For the purpose of evaluating the LRC's extrinsic parameters, i.e., its external orientation, a transformation of the LRC's imaging model into a standard camera's (SC) pinhole model is derived. By virtue of this transformation, the evaluation of the LRC's external orientation can be found by applying any SC calibration technique.

  1. The FREZCHEM Model

    NASA Astrophysics Data System (ADS)

    Marion, Giles M.; Kargel, Jeffrey S.

    Implementation of the Pitzer approach is through the FREZCHEM (FREEZING CHEMISTRY) model, which is at the core of this work. This model was originally designed to simulate salt chemistries and freezing processes at low temperatures (-54 to 25°C) and 1 atm pressure. Over the years, this model has been broadened to include more chemistries (from 16 to 58 solid phases), a broader temperature range for some chemistries (to 113°C), and incorporation of a pressure dependence (1 to 1000 bars) into the model. Implementation, parameterization, validation, and limitations of the FREZCHEM model are extensively discussed in Chapter 3.

  2. Models of the universe

    NASA Astrophysics Data System (ADS)

    Fischer, Arthur E.

    1996-01-01

    In this paper a theory of models of the universe is proposed. We refer to such models ascosmological models, where a cosmological model is defined as an Einstein-inextendible Einstein spacetime. A cosmological model isabsolute if it is a Lorentz-inextendible Einstein spacetime,predictive if it is globally hyperbolic, andnon-predictive if it is nonglobally-hyperbolic. We discuss several features of these models in the study of cosmology. As an example, any compact Einstein spacetime is always a non-predictive absolute cosmological model, whereas a noncompact complete Einstein spacetime is an absolute cosmological model which may be either predictive or non-predictive. We discuss the important role played by maximal Einstein spacetimes. In particular, we examine the possible proper Lorentz-extensions of such spacetimes, and show that a spatially compact maximal Einstein spacetime is exclusively either a predictive cosmological model or a proper sub-spacetime of a non-predictive cosmological model. Provided that the Strong Cosmic Censorship conjecture is true, a generic spatially compact maximal Einstein spacetime must be a predictive cosmological model. It isconjectured that the Strong Cosmic Censorship conjecture isnot true, and converting a vice to a virtue it is argued that the failure of the Strong Cosmic Censorship conjecture would point to what may be general relativity's greatest prediction of all, namely,that general relativity predicts that general relativity cannot predict the entire history of the universe.

  3. Modelling Farm Animal Welfare

    PubMed Central

    Collins, Lisa M.; Part, Chérie E.

    2013-01-01

    Simple Summary In this review paper we discuss the different modeling techniques that have been used in animal welfare research to date. We look at what questions they have been used to answer, the advantages and pitfalls of the methods, and how future research can best use these approaches to answer some of the most important upcoming questions in farm animal welfare. Abstract The use of models in the life sciences has greatly expanded in scope and advanced in technique in recent decades. However, the range, type and complexity of models used in farm animal welfare is comparatively poor, despite the great scope for use of modeling in this field of research. In this paper, we review the different modeling approaches used in farm animal welfare science to date, discussing the types of questions they have been used to answer, the merits and problems associated with the method, and possible future applications of each technique. We find that the most frequently published types of model used in farm animal welfare are conceptual and assessment models; two types of model that are frequently (though not exclusively) based on expert opinion. Simulation, optimization, scenario, and systems modeling approaches are rarer in animal welfare, despite being commonly used in other related fields. Finally, common issues such as a lack of quantitative data to parameterize models, and model selection and validation are discussed throughout the review, with possible solutions and alternative approaches suggested. PMID:26487411

  4. Distributed fuzzy system modeling

    SciTech Connect

    Pedrycz, W.; Chi Fung Lam, P.; Rocha, A.F.

    1995-05-01

    The paper introduces and studies an idea of distributed modeling treating it as a new paradigm of fuzzy system modeling and analysis. This form of modeling is oriented towards developing individual (local) fuzzy models for specific modeling landmarks (expressed as fuzzy sets) and determining the essential logical relationships between these local models. The models themselves are implemented in the form of logic processors being regarded as specialized fuzzy neural networks. The interaction between the processors is developed either in an inhibitory or excitatory way. In more descriptive way, the distributed model can be sought as a collection of fuzzy finite state machines with their individual local first or higher order memories. It is also clarified how the concept of distributed modeling narrows down a gap between purely numerical (quantitative) models and the qualitative ones originated within the realm of Artificial Intelligence. The overall architecture of distributed modeling is discussed along with the detailed learning schemes. The results of extensive simulation experiments are provided as well. 17 refs.

  5. Horizontal model fusion paradigm

    NASA Astrophysics Data System (ADS)

    Julier, Simon J.; Durrant-Whyte, Hugh F.

    1996-05-01

    In navigation and tracking problems, the identification of an appropriate model of vehicular or target motion is vital to most practical data fusion algorithms. The true system dynamics are rarely known, and approximations are usually employed. Since systems can exhibit strikingly different behaviors, multiple models may be needed to describe each of these behaviors. Current methods either use model switching (a single process model is chosen from the set using a decision rule) or consider the models as a set of competing hypothesis, only one of which is 'correct'. However, these methods fail to exploit the fact that all models are of the same system and that all of them are, to some degree, 'correct'. In this paper we present a new paradigm for fusing information from a set of multiple process models. The predictions from each process model are regarded as observations which are corrupted by correlated noise. By employing the standard Kalman filter equations we combine data from multiple sensors and multiple process models optimally. There are a number of significant practical advantages to this technique. First, the performance of the system always equals or betters that of the best estimator in the set of models being used. Second, the same decision theoretic machinery can be used to select the process models as well as the sensor suites.

  6. Calibrated Properties Model

    SciTech Connect

    T. Ghezzehej

    2004-10-04

    The purpose of this model report is to document the calibrated properties model that provides calibrated property sets for unsaturated zone (UZ) flow and transport process models (UZ models). The calibration of the property sets is performed through inverse modeling. This work followed, and was planned in, ''Technical Work Plan (TWP) for: Unsaturated Zone Flow Analysis and Model Report Integration'' (BSC 2004 [DIRS 169654], Sections 1.2.6 and 2.1.1.6). Direct inputs to this model report were derived from the following upstream analysis and model reports: ''Analysis of Hydrologic Properties Data'' (BSC 2004 [DIRS 170038]); ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (BSC 2004 [DIRS 169855]); ''Simulation of Net Infiltration for Present-Day and Potential Future Climates'' (BSC 2004 [DIRS 170007]); ''Geologic Framework Model'' (GFM2000) (BSC 2004 [DIRS 170029]). Additionally, this model report incorporates errata of the previous version and closure of the Key Technical Issue agreement TSPAI 3.26 (Section 6.2.2 and Appendix B), and it is revised for improved transparency.

  7. A model of strength

    USGS Publications Warehouse

    Johnson, Douglas H.; Cook, R.D.

    2013-01-01

    In her AAAS News & Notes piece "Can the Southwest manage its thirst?" (26 July, p. 362), K. Wren quotes Ajay Kalra, who advocates a particular method for predicting Colorado River streamflow "because it eschews complex physical climate models for a statistical data-driven modeling approach." A preference for data-driven models may be appropriate in this individual situation, but it is not so generally, Data-driven models often come with a warning against extrapolating beyond the range of the data used to develop the models. When the future is like the past, data-driven models can work well for prediction, but it is easy to over-model local or transient phenomena, often leading to predictive inaccuracy (1). Mechanistic models are built on established knowledge of the process that connects the response variables with the predictors, using information obtained outside of an extant data set. One may shy away from a mechanistic approach when the underlying process is judged to be too complicated, but good predictive models can be constructed with statistical components that account for ingredients missing in the mechanistic analysis. Models with sound mechanistic components are more generally applicable and robust than data-driven models.

  8. TEAMS Model Analyzer

    NASA Technical Reports Server (NTRS)

    Tijidjian, Raffi P.

    2010-01-01

    The TEAMS model analyzer is a supporting tool developed to work with models created with TEAMS (Testability, Engineering, and Maintenance System), which was developed by QSI. In an effort to reduce the time spent in the manual process that each TEAMS modeler must perform in the preparation of reporting for model reviews, a new tool has been developed as an aid to models developed in TEAMS. The software allows for the viewing, reporting, and checking of TEAMS models that are checked into the TEAMS model database. The software allows the user to selectively model in a hierarchical tree outline view that displays the components, failure modes, and ports. The reporting features allow the user to quickly gather statistics about the model, and generate an input/output report pertaining to all of the components. Rules can be automatically validated against the model, with a report generated containing resulting inconsistencies. In addition to reducing manual effort, this software also provides an automated process framework for the Verification and Validation (V&V) effort that will follow development of these models. The aid of such an automated tool would have a significant impact on the V&V process.

  9. Physical modelling in biomechanics.

    PubMed Central

    Koehl, M A R

    2003-01-01

    Physical models, like mathematical models, are useful tools in biomechanical research. Physical models enable investigators to explore parameter space in a way that is not possible using a comparative approach with living organisms: parameters can be varied one at a time to measure the performance consequences of each, while values and combinations not found in nature can be tested. Experiments using physical models in the laboratory or field can circumvent problems posed by uncooperative or endangered organisms. Physical models also permit some aspects of the biomechanical performance of extinct organisms to be measured. Use of properly scaled physical models allows detailed physical measurements to be made for organisms that are too small or fast to be easily studied directly. The process of physical modelling and the advantages and limitations of this approach are illustrated using examples from our research on hydrodynamic forces on sessile organisms, mechanics of hydraulic skeletons, food capture by zooplankton and odour interception by olfactory antennules. PMID:14561350

  10. Programming Models in HPC

    SciTech Connect

    Shipman, Galen M.

    2016-06-13

    These are the slides for a presentation on programming models in HPC, at the Los Alamos National Laboratory's Parallel Computing Summer School. The following topics are covered: Flynn's Taxonomy of computer architectures; single instruction single data; single instruction multiple data; multiple instruction multiple data; address space organization; definition of Trinity (Intel Xeon-Phi is a MIMD architecture); single program multiple data; multiple program multiple data; ExMatEx workflow overview; definition of a programming model, programming languages, runtime systems; programming model and environments; MPI (Message Passing Interface); OpenMP; Kokkos (Performance Portable Thread-Parallel Programming Model); Kokkos abstractions, patterns, policies, and spaces; RAJA, a systematic approach to node-level portability and tuning; overview of the Legion Programming Model; mapping tasks and data to hardware resources; interoperability: supporting task-level models; Legion S3D execution and performance details; workflow, integration of external resources into the programming model.

  11. Foam process models.

    SciTech Connect

    Moffat, Harry K.; Noble, David R.; Baer, Thomas A.; Adolf, Douglas Brian; Rao, Rekha Ranjana; Mondy, Lisa Ann

    2008-09-01

    In this report, we summarize our work on developing a production level foam processing computational model suitable for predicting the self-expansion of foam in complex geometries. The model is based on a finite element representation of the equations of motion, with the movement of the free surface represented using the level set method, and has been implemented in SIERRA/ARIA. An empirically based time- and temperature-dependent density model is used to encapsulate the complex physics of foam nucleation and growth in a numerically tractable model. The change in density with time is at the heart of the foam self-expansion as it creates the motion of the foam. This continuum-level model uses an homogenized description of foam, which does not include the gas explicitly. Results from the model are compared to temperature-instrumented flow visualization experiments giving the location of the foam front as a function of time for our EFAR model system.

  12. Toward Scientific Numerical Modeling

    NASA Technical Reports Server (NTRS)

    Kleb, Bil

    2007-01-01

    Ultimately, scientific numerical models need quantified output uncertainties so that modeling can evolve to better match reality. Documenting model input uncertainties and verifying that numerical models are translated into code correctly, however, are necessary first steps toward that goal. Without known input parameter uncertainties, model sensitivities are all one can determine, and without code verification, output uncertainties are simply not reliable. To address these two shortcomings, two proposals are offered: (1) an unobtrusive mechanism to document input parameter uncertainties in situ and (2) an adaptation of the Scientific Method to numerical model development and deployment. Because these two steps require changes in the computational simulation community to bear fruit, they are presented in terms of the Beckhard-Harris-Gleicher change model.

  13. Modelling structured data with Probabilistic Graphical Models

    NASA Astrophysics Data System (ADS)

    Forbes, F.

    2016-05-01

    Most clustering and classification methods are based on the assumption that the objects to be clustered are independent. However, in more and more modern applications, data are structured in a way that makes this assumption not realistic and potentially misleading. A typical example that can be viewed as a clustering task is image segmentation where the objects are the pixels on a regular grid and depend on neighbouring pixels on this grid. Also, when data are geographically located, it is of interest to cluster data with an underlying dependence structure accounting for some spatial localisation. These spatial interactions can be naturally encoded via a graph not necessarily regular as a grid. Data sets can then be modelled via Markov random fields and mixture models (e.g. the so-called MRF and Hidden MRF). More generally, probabilistic graphical models are tools that can be used to represent and manipulate data in a structured way while modeling uncertainty. This chapter introduces the basic concepts. The two main classes of probabilistic graphical models are considered: Bayesian networks and Markov networks. The key concept of conditional independence and its link to Markov properties is presented. The main problems that can be solved with such tools are described. Some illustrations are given associated with some practical work.

  14. Ventilation Model Report

    SciTech Connect

    V. Chipman; J. Case

    2002-12-20

    The purpose of the Ventilation Model is to simulate the heat transfer processes in and around waste emplacement drifts during periods of forced ventilation. The model evaluates the effects of emplacement drift ventilation on the thermal conditions in the emplacement drifts and surrounding rock mass, and calculates the heat removal by ventilation as a measure of the viability of ventilation to delay the onset of peak repository temperature and reduce its magnitude. The heat removal by ventilation is temporally and spatially dependent, and is expressed as the fraction of heat carried away by the ventilation air compared to the fraction of heat produced by radionuclide decay. One minus the heat removal is called the wall heat fraction, or the remaining amount of heat that is transferred via conduction to the surrounding rock mass. Downstream models, such as the ''Multiscale Thermohydrologic Model'' (BSC 2001), use the wall heat fractions as outputted from the Ventilation Model to initialize their post-closure analyses. The Ventilation Model report was initially developed to analyze the effects of preclosure continuous ventilation in the Engineered Barrier System (EBS) emplacement drifts, and to provide heat removal data to support EBS design. Revision 00 of the Ventilation Model included documentation of the modeling results from the ANSYS-based heat transfer model. Revision 01 ICN 01 included the results of the unqualified software code MULTIFLUX to assess the influence of moisture on the ventilation efficiency. The purposes of Revision 02 of the Ventilation Model are: (1) To validate the conceptual model for preclosure ventilation of emplacement drifts and verify its numerical application in accordance with new procedural requirements as outlined in AP-SIII-10Q, Models (Section 7.0). (2) To satisfy technical issues posed in KTI agreement RDTME 3.14 (Reamer and Williams 2001a). Specifically to demonstrate, with respect to the ANSYS ventilation model, the adequacy of

  15. Influence of satellite-derived photolysis rates and NOx emissions on Texas ozone modeling

    NASA Astrophysics Data System (ADS)

    Tang, W.; Cohan, D. S.; Pour-Biazar, A.; Lamsal, L. N.; White, A.; Xiao, X.; Zhou, W.; Henderson, B. H.; Lash, B.

    2014-09-01

    Uncertain photolysis rates and emission inventory impair the accuracy of state-level ozone (O3) regulatory modeling. Past studies have separately used satellite-observed clouds to correct the model-predicted photolysis rates, or satellite-constrained top-down NOx emissions to identify and reduce uncertainties in bottom-up NOx emissions. However, the joint application of multiple satellite-derived model inputs to improve O3 State Implementation Plan (SIP) modeling has rarely been explored. In this study, Geostationary Operational Environmental Satellite (GOES) observations of clouds are applied to derive the photolysis rates, replacing those used in Texas SIP modeling. This changes modeled O3 concentrations by up to 80 ppb and improves O3 simulations by reducing modeled normalized mean bias (NMB) and normalized mean error (NME) by up to 0.1. A sector-based discrete Kalman filter (DKF) inversion approach is incorporated with the Comprehensive Air Quality Model with extensions (CAMx)-Decoupled Direct Method (DDM) model to adjust Texas NOx emissions using a high resolution Ozone Monitoring Instrument (OMI) NO2 product. The discrepancy between OMI and CAMx NO2 vertical column densities (VCD) is further reduced by increasing modeled NOx lifetime and adding an artificial amount of NO2 in the upper troposphere. The sector-based DKF inversion tends to scale down area and non-road NOx emissions by 50%, leading to a 2-5 ppb decrease in ground 8 h O3 predictions. Model performance in simulating ground NO2 and O3 are improved using inverted NOx emissions, with 0.25 and 0.04 reductions in NMBs and 0.13 and 0.04 reductions in NMEs, respectively. Using both GOES-derived photolysis rates and OMI-constrained NOx emissions together reduces modeled NMB and NME by 0.05 and increases the model correlation with ground measurement in O3 simulations and makes O3 more sensitive to NOx emissions in the O3 non-attainment areas.

  16. Thermal phase transitions in a honeycomb lattice gas with three-body interactions.

    PubMed

    Lohöfer, Maximilian; Bonnes, Lars; Wessel, Stefan

    2013-11-01

    We study the thermal phase transitions in a classical (hard-core) lattice gas model with nearest-neighbor three-body interactions on the honeycomb lattice, based on parallel tempering Monte Carlo simulations. This system realizes incompressible low-temperature phases at fractional fillings of 9/16, 5/8, and 3/4 that were identified in a previous study of a related quantum model. In particular, both the 9/16 and the 5/8 phase exhibit an extensive ground-state degeneracy reflecting the frustrated nature of the three-body interactions on the honeycomb lattice. The thermal melting of the 9/16 phase is found to be a first-order, discontinuous phase transition. On the other hand, from the thermodynamic behavior we obtain indications for a four-states Potts-model thermal transition out of the 5/8 phase. We find that this thermal Potts-model transition relates to the selection of one out of four extensive sectors within the low-energy manifold of the 5/8 phase, which we obtain via an exact mapping of the ground-state manifold to a hard-core dimer model on an embedded honeycomb superlattice.

  17. Phyloclimatic modeling: combining phylogenetics and bioclimatic modeling.

    PubMed

    Yesson, C; Culham, A

    2006-10-01

    We investigate the impact of past climates on plant diversification by tracking the "footprint" of climate change on a phylogenetic tree. Diversity within the cosmopolitan carnivorous plant genus Drosera (Droseraceae) is focused within Mediterranean climate regions. We explore whether this diversity is temporally linked to Mediterranean-type climatic shifts of the mid-Miocene and whether climate preferences are conservative over phylogenetic timescales. Phyloclimatic modeling combines environmental niche (bioclimatic) modeling with phylogenetics in order to study evolutionary patterns in relation to climate change. We present the largest and most complete such example to date using Drosera. The bioclimatic models of extant species demonstrate clear phylogenetic patterns; this is particularly evident for the tuberous sundews from southwestern Australia (subgenus Ergaleium). We employ a method for establishing confidence intervals of node ages on a phylogeny using replicates from a Bayesian phylogenetic analysis. This chronogram shows that many clades, including subgenus Ergaleium and section Bryastrum, diversified during the establishment of the Mediterranean-type climate. Ancestral reconstructions of bioclimatic models demonstrate a pattern of preference for this climate type within these groups. Ancestral bioclimatic models are projected into palaeo-climate reconstructions for the time periods indicated by the chronogram. We present two such examples that each generate plausible estimates of ancestral lineage distribution, which are similar to their current distributions. This is the first study to attempt bioclimatic projections on evolutionary time scales. The sundews appear to have diversified in response to local climate development. Some groups are specialized for Mediterranean climates, others show wide-ranging generalism. This demonstrates that Phyloclimatic modeling could be repeated for other plant groups and is fundamental to the understanding of

  18. Constitutive models in LAME.

    SciTech Connect

    Hammerand, Daniel Carl; Scherzinger, William Mark

    2007-09-01

    The Library of Advanced Materials for Engineering (LAME) provides a common repository for constitutive models that can be used in computational solid mechanics codes. A number of models including both hypoelastic (rate) and hyperelastic (total strain) constitutive forms have been implemented in LAME. The structure and testing of LAME is described in Scherzinger and Hammerand ([3] and [4]). The purpose of the present report is to describe the material models which have already been implemented into LAME. The descriptions are designed to give useful information to both analysts and code developers. Thus far, 33 non-ITAR/non-CRADA protected material models have been incorporated. These include everything from the simple isotropic linear elastic models to a number of elastic-plastic models for metals to models for honeycomb, foams, potting epoxies and rubber. A complete description of each model is outside the scope of the current report. Rather, the aim here is to delineate the properties, state variables, functions, and methods for each model. However, a brief description of some of the constitutive details is provided for a number of the material models. Where appropriate, the SAND reports available for each model have been cited. Many models have state variable aliases for some or all of their state variables. These alias names can be used for outputting desired quantities. The state variable aliases available for results output have been listed in this report. However, not all models use these aliases. For those models, no state variable names are listed. Nevertheless, the number of state variables employed by each model is always given. Currently, there are four possible functions for a material model. This report lists which of these four methods are employed in each material model. As far as analysts are concerned, this information is included only for the awareness purposes. The analyst can take confidence in the fact that model has been properly implemented

  19. Modeling and Prediction Overview

    SciTech Connect

    Ermak, D L

    2002-10-18

    Effective preparation for and response to the release of toxic materials into the atmosphere hinges on accurate predictions of the dispersion pathway, concentration, and ultimate fate of the chemical or biological agent. Of particular interest is the threat to civilian populations within major urban areas, which are likely targets for potential attacks. The goals of the CBNP Modeling and Prediction area are: (1) Development of a suite of validated, multi-scale, atmospheric transport and fate modeling capabilities for chemical and biological agent releases within the complex urban environment; (2) Integration of these models and related user tools into operational emergency response systems. Existing transport and fate models are being adapted to treat the complex atmospheric flows within and around structures (e.g., buildings, subway systems, urban areas) and over terrain. Relevant source terms and the chemical and physical behavior of gas- and particle-phase species (e.g., losses due to deposition, bio-agent viability, degradation) are also being developed and incorporated into the models. Model validation is performed using both laboratory and field data. CBNP is producing and testing a suite of models with differing levels of complexity and fidelity to address the full range of user needs and applications. Lumped-parameter transport models are being developed for subway systems and building interiors, supplemented by the use of computational fluid dynamics (CFD) models to describe the circulation within large, open spaces such as auditoriums. Both sophisticated CFD transport models and simpler fast-response models are under development to treat the complex flow around individual structures and arrays of buildings. Urban parameterizations are being incorporated into regional-scale weather forecast, meteorological data assimilation, and dispersion models for problems involving larger-scale urban and suburban areas. Source term and dose response models are being

  20. Drought modeling - A review

    NASA Astrophysics Data System (ADS)

    Mishra, Ashok K.; Singh, Vijay P.

    2011-06-01

    SummaryIn recent years droughts have been occurring frequently, and their impacts are being aggravated by the rise in water demand and the variability in hydro-meteorological variables due to climate change. As a result, drought hydrology has been receiving much attention. A variety of concepts have been applied to modeling droughts, ranging from simplistic approaches to more complex models. It is important to understand different modeling approaches as well as their advantages and limitations. This paper, supplementing the previous paper ( Mishra and Singh, 2010) where different concepts of droughts were highlighted, reviews different methodologies used for drought modeling, which include drought forecasting, probability based modeling, spatio-temporal analysis, use of Global Climate Models (GCMs) for drought scenarios, land data assimilation systems for drought modeling, and drought planning. It is found that there have been significant improvements in modeling droughts over the past three decades. Hybrid models, incorporating large scale climate indices, seem to be promising for long lead-time drought forecasting. Further research is needed to understand the spatio-temporal complexity of droughts under climate change due to changes in spatio-temporal variability of precipitation. Applications of copula based models for multivariate drought characterization seem to be promising for better drought characterization. Research on decision support systems should be advanced for issuing warnings, assessing risk, and taking precautionary measures, and the effective ways for the flow of information from decision makers to users need to be developed. Finally, some remarks are made regarding the future outlook for drought research.

  1. Quantitative Rheological Model Selection

    NASA Astrophysics Data System (ADS)

    Freund, Jonathan; Ewoldt, Randy

    2014-11-01

    The more parameters in a rheological the better it will reproduce available data, though this does not mean that it is necessarily a better justified model. Good fits are only part of model selection. We employ a Bayesian inference approach that quantifies model suitability by balancing closeness to data against both the number of model parameters and their a priori uncertainty. The penalty depends upon prior-to-calibration expectation of the viable range of values that model parameters might take, which we discuss as an essential aspect of the selection criterion. Models that are physically grounded are usually accompanied by tighter physical constraints on their respective parameters. The analysis reflects a basic principle: models grounded in physics can be expected to enjoy greater generality and perform better away from where they are calibrated. In contrast, purely empirical models can provide comparable fits, but the model selection framework penalizes their a priori uncertainty. We demonstrate the approach by selecting the best-justified number of modes in a Multi-mode Maxwell description of PVA-Borax. We also quantify relative merits of the Maxwell model relative to powerlaw fits and purely empirical fits for PVA-Borax, a viscoelastic liquid, and gluten.

  2. The Earth System Model

    NASA Technical Reports Server (NTRS)

    Schoeberl, Mark; Rood, Richard B.; Hildebrand, Peter; Raymond, Carol

    2003-01-01

    The Earth System Model is the natural evolution of current climate models and will be the ultimate embodiment of our geophysical understanding of the planet. These models are constructed from components - atmosphere, ocean, ice, land, chemistry, solid earth, etc. models and merged together through a coupling program which is responsible for the exchange of data from the components. Climate models and future earth system models will have standardized modules, and these standards are now being developed by the ESMF project funded by NASA. The Earth System Model will have a variety of uses beyond climate prediction. The model can be used to build climate data records making it the core of an assimilation system, and it can be used in OSSE experiments to evaluate. The computing and storage requirements for the ESM appear to be daunting. However, the Japanese ES theoretical computing capability is already within 20% of the minimum requirements needed for some 2010 climate model applications. Thus it seems very possible that a focused effort to build an Earth System Model will achieve succcss.

  3. Geochemical modeling: a review

    SciTech Connect

    Jenne, E.A.

    1981-06-01

    Two general families of geochemical models presently exist. The ion speciation-solubility group of geochemical models contain submodels to first calculate a distribution of aqueous species and to secondly test the hypothesis that the water is near equilibrium with particular solid phases. These models may or may not calculate the adsorption of dissolved constituents and simulate the dissolution and precipitation (mass transfer) of solid phases. Another family of geochemical models, the reaction path models, simulates the stepwise precipitation of solid phases as a result of reacting specified amounts of water and rock. Reaction path models first perform an aqueous speciation of the dissolved constituents of the water, test solubility hypotheses, then perform the reaction path modeling. Certain improvements in the present versions of these models would enhance their value and usefulness to applications in nuclear-waste isolation, etc. Mass-transfer calculations of limited extent are certainly within the capabilities of state-of-the-art models. However, the reaction path models require an expansion of their thermodynamic data bases and systematic validation before they are generally accepted.

  4. Improved Screened Hydrogenic Model

    SciTech Connect

    Nishikawa, T.

    1996-05-01

    Screened Hydrogenic Model is widely used for energy level calculation in hydrodynamic code of inertial confinement fusion because Screened Hydrogenic Model is simple algebraic calculation. More{close_quote}s Screened Hydrogenic Model and his screening constants are usually used to calculate opacity and equation of state. By the use of his model, energy level can be consistently calculated with ion{close_quote}s total energy. But his model take into account the principal quantum number dependence only and cannot reproduce hydrogenic energy levels. As the precise experiment about opacity measurement is performed, it becomes clear that his model is not enough to use for opacity calculation. In this paper, his model is improved in the framework of Screened Hydrogenic Model. The improved model can reproduce the hydrogenic energy levels and include azimuthal quantum number dependence and the effect from another quantum state (a kind of inner quantum number). Screening constants are fitted by spectroscopic data and sophisticate calculations. By the use of improved model, energy levels are calculated more accurately for low-{ital z} ions. {copyright} {ital 1996 American Institute of Physics.}

  5. [Mathematical models of hysteresis

    SciTech Connect

    Mayergoyz, I.D.

    1991-01-01

    The research described in this proposal is currently being supported by the US Department of Energy under the contract Mathematical Models of Hysteresis''. Thus, before discussing the proposed research in detail, it is worthwhile to describe and summarize the main results achieved in the course of our work under the above contract. Our ongoing research has largely been focused on the development of mathematical models of hysteretic nonlinearities with nonlocal memories''. The distinct feature of these nonlinearities is that their current states depend on past histories of input variations. It turns out that memories of hysteretic nonlinearities are quite selective. Indeed, experiments show that only some past input extrema leave their marks upon future states of hysteretic nonlinearities. Thus special mathematical tools are needed in order to describe nonlocal selective memories of hysteretic nonlinearities. Our research has been primarily concerned with Preisach-type models of hysteresis. All these models have a common generic feature; they are constructed as superpositions of simplest hysteretic nonlinearities-rectangular loops. Our study has by and large been centered around the following topics: various generalizations and extensions of the classical Preisach model, finding of necessary and sufficient conditions for the representation of actual hysteretic nonlinearities by various Preisach type models, solution of identification problems for these models, numerical implementation and experimental testing of Preisach type models. Although the study of Preisach type models has constituted the main direction of the research, some effort has also been made to establish some interesting connections between these models and such topics as: the critical state model for superconducting hysteresis, the classical Stoner-Wohlfarth model of vector magnetic hysteresis, thermal activation type models for viscosity, magnetostrictive hysteresis and neural networks.

  6. Turbulence modeling and experiments

    NASA Technical Reports Server (NTRS)

    Shabbir, Aamir

    1992-01-01

    The best way of verifying turbulence is to do a direct comparison between the various terms and their models. The success of this approach depends upon the availability of the data for the exact correlations (both experimental and DNS). The other approach involves numerically solving the differential equations and then comparing the results with the data. The results of such a computation will depend upon the accuracy of all the modeled terms and constants. Because of this it is sometimes difficult to find the cause of a poor performance by a model. However, such a calculation is still meaningful in other ways as it shows how a complete Reynolds stress model performs. Thirteen homogeneous flows are numerically computed using the second order closure models. We concentrate only on those models which use a linear (or quasi-linear) model for the rapid term. This, therefore, includes the Launder, Reece and Rodi (LRR) model; the isotropization of production (IP) model; and the Speziale, Sarkar, and Gatski (SSG) model. Which of the three models performs better is examined along with what are their weaknesses, if any. The other work reported deal with the experimental balances of the second moment equations for a buoyant plume. Despite the tremendous amount of activity toward the second order closure modeling of turbulence, very little experimental information is available about the budgets of the second moment equations. Part of the problem stems from our inability to measure the pressure correlations. However, if everything else appearing in these equations is known from the experiment, pressure correlations can be obtained as the closing terms. This is the closest we can come to in obtaining these terms from experiment, and despite the measurement errors which might be present in such balances, the resulting information will be extremely useful for the turbulence modelers. The purpose of this part of the work was to provide such balances of the Reynolds stress and heat

  7. Modeling of surface reactions

    SciTech Connect

    Ray, T.R.

    1993-01-01

    Mathematical models are used to elucidate properties of the monomer-monomer and monomer-dimer type chemical reactions on a two-dimensional surface. The authors use mean-field and lattice gas models, detailing similarities and differences due to correlations in the lattice gas model. The monomer-monomer, or AB surface reaction model, with no diffusion, is investigated for various reaction rates k. Study of the exact rate equations reveals that poisoning always occurs if the adsorption rates of the reactants are unequal. If the adsorption rates of the reactants are equal, simulations show slow poisoning, associated with clustering of reactants. This behavior is also shown for the two-dimensional voter model. The authors analyze precisely the slow poisoning kinetics by an analytic treatment for the AB reaction with infinitesimal reaction rate, and by direct comparison with the voter model. They extend the results to incorporate the effects of place-exchange diffusion, and they compare the AB reaction with infinitesimal reaction rate and no diffusion to the voter model with diffusion at rate 1/2. They also consider the relationship of the voter model to the monomer-dimer model, and investigate the latter model for small reaction rates. The monomer-dimer, or AB[sub 2] surface reaction model is also investigated. Specifically, they consider the ZGB-model for CO-oxidation, and in generalizations of this model which include adspecies diffusion. A theory of nucleation to describe properties of non-equilibrium first-order transitions, specifically the evolution between [open quote]reactive[close quote] steady states and trivial adsorbing states, is derived. The behavior of the [open quote]epidemic[close quote] survival probability, P[sub s], for a non-poisoned patch surrounded by a poisoned background is determined below the poisoning transition.

  8. Generalized Multilevel Structural Equation Modeling

    ERIC Educational Resources Information Center

    Rabe-Hesketh, Sophia; Skrondal, Anders; Pickles, Andrew

    2004-01-01

    A unifying framework for generalized multilevel structural equation modeling is introduced. The models in the framework, called generalized linear latent and mixed models (GLLAMM), combine features of generalized linear mixed models (GLMM) and structural equation models (SEM) and consist of a response model and a structural model for the latent…

  9. Modeling Imports in a Keynesian Expenditure Model

    ERIC Educational Resources Information Center

    Findlay, David W.

    2010-01-01

    The author discusses several issues that instructors of introductory macroeconomics courses should consider when introducing imports in the Keynesian expenditure model. The analysis suggests that the specification of the import function should partially, if not completely, be the result of a simple discussion about the spending and import…

  10. Animal models of scoliosis.

    PubMed

    Bobyn, Justin D; Little, David G; Gray, Randolph; Schindeler, Aaron

    2015-04-01

    Multiple techniques designed to induce scoliotic deformity have been applied across many animal species. We have undertaken a review of the literature regarding experimental models of scoliosis in animals to discuss their utility in comprehending disease aetiology and treatment. Models of scoliosis in animals can be broadly divided into quadrupedal and bipedal experiments. Quadrupedal models, in the absence of axial gravitation force, depend upon development of a mechanical asymmetry along the spine to initiate a scoliotic deformity. Bipedal models more accurately mimic human posture and consequently are subject to similar forces due to gravity, which have been long appreciated to be a contributing factor to the development of scoliosis. Many effective models of scoliosis in smaller animals have not been successfully translated to primates and humans. Though these models may not clarify the aetiology of human scoliosis, by providing a reliable and reproducible deformity in the spine they are a useful means with which to test interventions designed to correct and prevent deformity.

  11. Energy balance climate models

    NASA Technical Reports Server (NTRS)

    North, G. R.; Cahalan, R. F.; Coakley, J. A., Jr.

    1981-01-01

    An introductory survey of the global energy balance climate models is presented with an emphasis on analytical results. A sequence of increasingly complicated models involving ice cap and radiative feedback processes are solved, and the solutions and parameter sensitivities are studied. The model parameterizations are examined critically in light of many current uncertainties. A simple seasonal model is used to study the effects of changes in orbital elements on the temperature field. A linear stability theorem and a complete nonlinear stability analysis for the models are developed. Analytical solutions are also obtained for the linearized models driven by stochastic forcing elements. In this context the relation between natural fluctuation statistics and climate sensitivity is stressed.

  12. Load Model Data Tool

    SciTech Connect

    David Chassin, Pavel Etingov

    2013-04-30

    The LMDT software automates the process of the load composite model data preparation in the format supported by the major power system software vendors (GE and Siemens). Proper representation of the load composite model in power system dynamic analysis is very important. Software tools for power system simulation like GE PSLF and Siemens PSSE already include algorithms for the load composite modeling. However, these tools require that the input information on composite load to be provided in custom formats. Preparation of this data is time consuming and requires multiple manual operations. The LMDT software enables to automate this process. Software is designed to generate composite load model data. It uses the default load composition data, motor information, and bus information as an input. Software processes the input information and produces load composition model. Generated model can be stored in .dyd format supported by GE PSLF package or .dyr format supported by Siemens PSSE package.

  13. Outside users payload model

    NASA Technical Reports Server (NTRS)

    1985-01-01

    The outside users payload model which is a continuation of documents and replaces and supersedes the July 1984 edition is presented. The time period covered by this model is 1985 through 2000. The following sections are included: (1) definition of the scope of the model; (2) discussion of the methodology used; (3) overview of total demand; (4) summary of the estimated market segmentation by launch vehicle; (5) summary of the estimated market segmentation by user type; (6) details of the STS market forecast; (7) summary of transponder trends; (8) model overview by mission category; and (9) detailed mission models. All known non-NASA, non-DOD reimbursable payloads forecast to be flown by non-Soviet-block countries are included in this model with the exception of Spacelab payloads and small self contained payloads. Certain DOD-sponsored or cosponsored payloads are included if they are reimbursable launches.

  14. Extended frequency turbofan model

    NASA Technical Reports Server (NTRS)

    Mason, J. R.; Park, J. W.; Jaekel, R. F.

    1980-01-01

    The fan model was developed using two dimensional modeling techniques to add dynamic radial coupling between the core stream and the bypass stream of the fan. When incorporated into a complete TF-30 engine simulation, the fan model greatly improved compression system frequency response to planar inlet pressure disturbances up to 100 Hz. The improved simulation also matched engine stability limits at 15 Hz, whereas the one dimensional fan model required twice the inlet pressure amplitude to stall the simulation. With verification of the two dimensional fan model, this program formulated a high frequency F-100(3) engine simulation using row by row compression system characteristics. In addition to the F-100(3) remote splitter fan, the program modified the model fan characteristics to simulate a proximate splitter version of the F-100(3) engine.

  15. Probabilistic Mesomechanical Fatigue Model

    NASA Technical Reports Server (NTRS)

    Tryon, Robert G.

    1997-01-01

    A probabilistic mesomechanical fatigue life model is proposed to link the microstructural material heterogeneities to the statistical scatter in the macrostructural response. The macrostructure is modeled as an ensemble of microelements. Cracks nucleation within the microelements and grow from the microelements to final fracture. Variations of the microelement properties are defined using statistical parameters. A micromechanical slip band decohesion model is used to determine the crack nucleation life and size. A crack tip opening displacement model is used to determine the small crack growth life and size. Paris law is used to determine the long crack growth life. The models are combined in a Monte Carlo simulation to determine the statistical distribution of total fatigue life for the macrostructure. The modeled response is compared to trends in experimental observations from the literature.

  16. Introduction to Biological Models

    DTIC Science & Technology

    2011-05-11

    three steady states if NT > (dZ/αg) + (dP /µ), with a P,Z non-zero point being a stable attractor. NPZD The NPZ model assumes all dead organisms or...excreted material is immediately rem- ineralized to usable nutrient. In contrast, the NPZD model assumes that dead organisms and unassimilated...phytoplankton would contribute to a detrital pool that eventually be- 17 Figure 3: Schematic representation of NPZD model showing the fluxes of biomass and the

  17. Coastal Modeling System

    DTIC Science & Technology

    2014-09-04

    Coastal Inlets Research Program Coastal Modeling System The work unit develops the Coastal Modeling System ( CMS ) and conducts basic research to...further understanding of sediment transport under mixed forcing from waves and currents. The CMS is a suite of coupled two- dimensional numerical...models for simulating waves, hydrodynamics, salinity and sediment transport, and morphology change. The CMS was identified by the USACE Hydraulics and

  18. Acid rain: Mesoscale model

    NASA Technical Reports Server (NTRS)

    Hsu, H. M.

    1980-01-01

    A mesoscale numerical model of the Florida peninsula was formulated and applied to a dry, neutral atmosphere. The prospective use of the STAR-100 computer for the submesoscale model is discussed. The numerical model presented is tested under synoptically undisturbed conditions. Two cases, differing only in the direction of the prevailing geostrophic wind, are examined: a prevailing southwest wind and a prevailing southeast wind, both 6 m/sec at all levels initially.

  19. HOMER® Micropower Optimization Model

    SciTech Connect

    Lilienthal, P.

    2005-01-01

    NREL has developed the HOMER micropower optimization model. The model can analyze all of the available small power technologies individually and in hybrid configurations to identify least-cost solutions to energy requirements. This capability is valuable to a diverse set of energy professionals and applications. NREL has actively supported its growing user base and developed training programs around the model. These activities are helping to grow the global market for solar technologies.

  20. Los Alamos Programming Models

    SciTech Connect

    Bergen, Benjamin Karl

    2016-07-07

    This is the PDF of a powerpoint presentation from a teleconference on Los Alamos programming models. It starts by listing their assumptions for the programming models and then details a hierarchical programming model at the System Level and Node Level. Then it details how to map this to their internal nomenclature. Finally, a list is given of what they are currently doing in this regard.

  1. AREST model description

    SciTech Connect

    Engel, D.W.; McGrail, B.P.

    1993-11-01

    The Office of Civilian Radioactive Waste Management and the Power Reactor and Nuclear Fuel Development Corporation of Japan (PNC) have supported the development of the Analytical Repository Source-Term (AREST) at Pacific Northwest Laboratory. AREST is a computer model developed to evaluate radionuclide release from an underground geologic repository. The AREST code can be used to calculate/estimate the amount and rate of each radionuclide that is released from the engineered barrier system (EBS) of the repository. The EBS is the man-made or disrupted area of the repository. AREST was designed as a system-level models to simulate the behavior of the total repository by combining process-level models for the release from an individual waste package or container. AREST contains primarily analytical models for calculating the release/transport of radionuclides to the lost rock that surrounds each waste package. Analytical models were used because of the small computational overhead that allows all the input parameters to be derived from a statistical distribution. Recently, a one-dimensional numerical model was also incorporated into AREST, to allow for more detailed modeling of the transport process with arbitrary length decay chains. The next step in modeling the EBS, is to develop a model that couples the probabilistic capabilities of AREST with a more detailed process model. This model will need to look at the reactive coupling of the processes that are involved with the release process. Such coupling would include: (1) the dissolution of the waste form, (2) the geochemical modeling of the groundwater, (3) the corrosion of the container overpacking, and (4) the backfill material, just to name a few. Several of these coupled processes are already incorporated in the current version of AREST.

  2. Computer Models of Proteins

    NASA Technical Reports Server (NTRS)

    2000-01-01

    Dr. Marc Pusey (seated) and Dr. Craig Kundrot use computers to analyze x-ray maps and generate three-dimensional models of protein structures. With this information, scientists at Marshall Space Flight Center can learn how proteins are made and how they work. The computer screen depicts a proten structure as a ball-and-stick model. Other models depict the actual volume occupied by the atoms, or the ribbon-like structures that are crucial to a protein's function.

  3. Atmospheric prediction model survey

    NASA Technical Reports Server (NTRS)

    Wellck, R. E.

    1976-01-01

    As part of the SEASAT Satellite program of NASA, a survey of representative primitive equation atmospheric prediction models that exist in the world today was written for the Jet Propulsion Laboratory. Seventeen models developed by eleven different operational and research centers throughout the world are included in the survey. The surveys are tutorial in nature describing the features of the various models in a systematic manner.

  4. Liftoff Model for MELCOR.

    SciTech Connect

    Young, Michael F.

    2015-07-01

    Aerosol particles that deposit on surfaces may be subsequently resuspended by air flowing over the surface. A review of models for this liftoff process is presented and compared to available data. Based on this review, a model that agrees with existing data and is readily computed is presented for incorporation into a system level code such as MELCOR. Liftoff Model for MELCOR July 2015 4 This page is intentionally blank

  5. Open source molecular modeling.

    PubMed

    Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

    2016-09-01

    The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. An updated online version of this catalog can be found at https://opensourcemolecularmodeling.github.io.

  6. The Integrated Medical Model

    NASA Technical Reports Server (NTRS)

    Kerstman, Eric; Minard, Charles; Saile, Lynn; Freiere deCarvalho, Mary; Myers, Jerry; Walton, Marlei; Butler, Douglas; Iyengar, Sriram; Johnson-Throop, Kathy; Baumann, David

    2010-01-01

    The goals of the Integrated Medical Model (IMM) are to develop an integrated, quantified, evidence-based decision support tool useful to crew health and mission planners and to help align science, technology, and operational activities intended to optimize crew health, safety, and mission success. Presentation slides address scope and approach, beneficiaries of IMM capabilities, history, risk components, conceptual models, development steps, and the evidence base. Space adaptation syndrome is used to demonstrate the model's capabilities.

  7. Conceptual IT model

    NASA Astrophysics Data System (ADS)

    Arnaoudova, Kristina; Stanchev, Peter

    2015-11-01

    The business processes are the key asset for every organization. The design of the business process models is the foremost concern and target among an organization's functions. Business processes and their proper management are intensely dependent on the performance of software applications and technology solutions. The paper is attempt for definition of new Conceptual model of IT service provider, it could be examined as IT focused Enterprise model, part of Enterprise Architecture (EA) school.

  8. Compositional Modeling with DPNs

    DTIC Science & Technology

    2007-11-02

    Technical Report Compositional Modeling with DPNs 6. AUTHOR(S) Geoffrey Zweig and Stuart Russell 7. PERFORMING ORGANIZATION NAMES(S) AND ADDRESS(ES...Standard Form 298 (Rev. 2-89) Prescribed by ANSI Std. 239-18 298-102 Compositional Modeling With DPNs Geoffrey Zweig Stuart Russell Report No. UCB...Modeling With DPNs Geoffrey Zweig * Stuart Russell * Sept. 8, 1997 Abstract Dynamic probabilistic networks (DPNs) are a powerful and efficient method for

  9. Numerical Modeling Experiments

    DTIC Science & Technology

    1974-09-01

    presence of clouds is associated with the occurvence of condensation in the atmospheric models. Cloudiness 3t a particulat grid point is introduced -4...when saturation is predicted as a result of either large-scale moisture flux convergence or vertical convective adjustment. In most models such clouds ... cloud top, cloud thickness, and liquid-water content. In some general circulation models the local fractional convective cloud amountv tre taken

  10. Gauge Messenger Models

    SciTech Connect

    Kim, Hyung Do

    2006-11-28

    We consider gauge messenger models in which X and Y gauge bosons and gauginos are messengers of supersymmetry breaking. In simple gauge messenger models, all the soft parameters except {mu} and B{mu} are calculated in terms of a single scale parameter MSUSY which is proportional to F / MGUT. Unique prediction on dark matter in gauge messenger models is discussed. (Based on hep-ph/0601036 and hep-ph/0607169)

  11. Guidelines for Model Evaluation.

    DTIC Science & Technology

    1979-01-01

    by a decisionmaker. The full-scale evaluation of a complex model can be an expensive, time- consuming effort requiring diverse talents and skills...relative to PIES, were documented in a report to the Congress. 2/ An important side- effect of that document was that a foundation was laid for model...while for model evaluation there are no generally accepted standards or methods. Hence, GAO perceives the need to expand upon the lessons learned in

  12. Global Atmospheric Aerosol Modeling

    NASA Technical Reports Server (NTRS)

    Hendricks, Johannes; Aquila, Valentina; Righi, Mattia

    2012-01-01

    Global aerosol models are used to study the distribution and properties of atmospheric aerosol particles as well as their effects on clouds, atmospheric chemistry, radiation, and climate. The present article provides an overview of the basic concepts of global atmospheric aerosol modeling and shows some examples from a global aerosol simulation. Particular emphasis is placed on the simulation of aerosol particles and their effects within global climate models.

  13. Rat Endovascular Perforation Model

    PubMed Central

    Sehba, Fatima A.

    2014-01-01

    Experimental animal models of aneurysmal subarachnoid hemorrhage (SAH) have provided a wealth of information on the mechanisms of brain injury. The Rat endovascular perforation model (EVP) replicates the early pathophysiology of SAH and hence is frequently used to study early brain injury following SAH. This paper presents a brief review of historical development of the EVP model, details the technique used to create SAH and considerations necessary to overcome technical challenges. PMID:25213427

  14. Structural model integrity

    NASA Technical Reports Server (NTRS)

    Wallerstein, D. V.; Lahey, R. S.; Haggenmacher, G. W.

    1977-01-01

    Many of the practical aspects and problems of ensuring the integrity of a structural model are discussed, as well as the steps which have been taken in the NASTRAN system to assure that these checks can be routinely performed. Model integrity as used applies not only to the structural model but also to the loads applied to the model. Emphasis is also placed on the fact that when dealing with substructure analysis, all of the checking procedures discussed should be applied at the lowest level of substructure prior to any coupling.

  15. Model Error Budgets

    NASA Technical Reports Server (NTRS)

    Briggs, Hugh C.

    2008-01-01

    An error budget is a commonly used tool in design of complex aerospace systems. It represents system performance requirements in terms of allowable errors and flows these down through a hierarchical structure to lower assemblies and components. The requirements may simply be 'allocated' based upon heuristics or experience, or they may be designed through use of physics-based models. This paper presents a basis for developing an error budget for models of the system, as opposed to the system itself. The need for model error budgets arises when system models are a principle design agent as is increasingly more common for poorly testable high performance space systems.

  16. Photovoltaic array performance model.

    SciTech Connect

    Kratochvil, Jay A.; Boyson, William Earl; King, David L.

    2004-08-01

    This document summarizes the equations and applications associated with the photovoltaic array performance model developed at Sandia National Laboratories over the last twelve years. Electrical, thermal, and optical characteristics for photovoltaic modules are included in the model, and the model is designed to use hourly solar resource and meteorological data. The versatility and accuracy of the model has been validated for flat-plate modules (all technologies) and for concentrator modules, as well as for large arrays of modules. Applications include system design and sizing, 'translation' of field performance measurements to standard reporting conditions, system performance optimization, and real-time comparison of measured versus expected system performance.

  17. Railway switch transport model.

    PubMed

    Horvat, Martin; Prosen, Tomaž; Benenti, Giuliano; Casati, Giulio

    2012-11-01

    We propose a simple model of coupled heat and particle transport based on zero-dimensional classical deterministic dynamics, which is reminiscent of a railway switch whose action is a function only of the particle's energy. It is shown that already in the minimal three-terminal model, where the second terminal is considered as a probe with zero net particle and heat currents, one can find extremely asymmetric Onsager matrices as a consequence of time-reversal symmetry breaking of the model. This minimalistic transport model provides a better understanding of thermoelectric heat engines in the presence of time-reversal symmetry breaking.

  18. Models of Reality.

    SciTech Connect

    Brown-VanHoozer, S. A.

    1999-06-02

    Conscious awareness of our environment is based on a feedback loop comprised of sensory input transmitted to the central nervous system leading to construction of our ''model of the world,'' (Lewis et al, 1982). We then assimilate the neurological model at the unconscious level into information we can later consciously consider useful in identifying belief systems and behaviors for designing diverse systems. Thus, we can avoid potential problems based on our open-to-error perceived reality of the world. By understanding how our model of reality is organized, we allow ourselves to transcend content and develop insight into how effective choices and belief systems are generated through sensory derived processes. These are the processes which provide the designer the ability to meta model (build a model of a model) the user; consequently, matching the mental model of the user with that of the designer's and, coincidentally, forming rapport between the two participants. The information shared between the participants is neither assumed nor generalized, it is closer to equivocal; thus minimizing error through a sharing of each other's model of reality. How to identify individual mental mechanisms or processes, how to organize the individual strategies of these mechanisms into useful patterns, and to formulate these into models for success and knowledge based outcomes is the subject of the discussion that follows.

  19. Lightning return stroke models

    NASA Technical Reports Server (NTRS)

    Lin, Y. T.; Uman, M. A.; Standler, R. B.

    1980-01-01

    We test the two most commonly used lightning return stroke models, Bruce-Golde and transmission line, against subsequent stroke electric and magnetic field wave forms measured simultaneously at near and distant stations and show that these models are inadequate to describe the experimental data. We then propose a new return stroke model that is physically plausible and that yields good approximations to the measured two-station fields. Using the new model, we derive return stroke charge and current statistics for about 100 subsequent strokes.

  20. Particle bed reactor modeling

    NASA Technical Reports Server (NTRS)

    Sapyta, Joe; Reid, Hank; Walton, Lew

    1993-01-01

    The topics are presented in viewgraph form and include the following: particle bed reactor (PBR) core cross section; PBR bleed cycle; fuel and moderator flow paths; PBR modeling requirements; characteristics of PBR and nuclear thermal propulsion (NTP) modeling; challenges for PBR and NTP modeling; thermal hydraulic computer codes; capabilities for PBR/reactor application; thermal/hydralic codes; limitations; physical correlations; comparison of predicted friction factor and experimental data; frit pressure drop testing; cold frit mask factor; decay heat flow rate; startup transient simulation; and philosophy of systems modeling.