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Sample records for map lattice model

  1. Coupled map lattice model of jet breakup

    SciTech Connect

    Minich, R W; Schwartz, A J; Baker, E L

    2001-01-25

    An alternative approach is described to evaluate the statistical nature of the breakup of shaped charge liners. Experimental data from ductile and brittle copper jets are analyzed in terms of velocity gradient, deviation of {Delta}V from linearity, R/S analysis, and the Hurst exponent within the coupled map lattice model. One-dimensional simulations containing 600 zones of equal mass and using distinctly different force-displacement curves are generated to simulate ductile and brittle behavior. A particle separates from the stretching jet when an element of material reaches the failure criterion. A simple model of a stretching rod using brittle, semi-brittle, and ductile force-displacement curves is in agreement with the experimental results for the Hurst exponent and the phase portraits and indicates that breakup is a correlated phenomenon.

  2. Composite fermion-boson mapping for fermionic lattice models.

    PubMed

    Zhao, J; Jiménez-Hoyos, C A; Scuseria, G E; Huerga, D; Dukelsky, J; Rombouts, S M A; Ortiz, G

    2014-11-12

    We present a mapping of elementary fermion operators onto a quadratic form of composite fermionic and bosonic cluster operators. The mapping is an exact isomorphism as long as the physical constraint of one composite particle per cluster is satisfied. This condition is treated on average in a composite particle mean-field approach, which consists of an ansatz that decouples the composite fermionic and bosonic sectors. The theory is tested on the 1D and 2D Hubbard models. Using a Bogoliubov determinant for the composite fermions and either a coherent or Bogoliubov state for the bosons, we obtain a simple and accurate procedure for treating the Mott insulating phase of the Hubbard model with mean-field computational cost.

  3. Error growth patterns in systems with spatial chaos: from coupled map lattices to global weather models.

    PubMed

    Primo, C; Szendro, I G; Rodríguez, M A; Gutiérrez, J M

    2007-03-09

    Error growth in spatiotemporal chaotic systems is investigated by analyzing the interplay between temporal and spatial dynamics. The spatial correlation and localization of relative fluctuations grow and decay indicating two different regimes, before and after saturation by nonlinear effects. This general behavior is shown to hold both in simple coupled map lattices and in global weather models. This explains the increasing or decreasing trends previously observed in the exponential growth rate of these spatiotemporal systems.

  4. Modeling velocity in gradient flows with coupled-map lattices with advection.

    PubMed

    Lind, Pedro G; Corte-Real, João; Gallas, Jason A C

    2002-07-01

    We introduce a simple model to investigate large scale behavior of gradient flows based on a lattice of coupled maps which, in addition to the usual diffusive term, incorporates advection, as an asymmetry in the coupling between nearest neighbors. This diffusive-advective model predicts traveling patterns to have velocities obeying the same scaling as wind velocities in the atmosphere, regarding the advective parameter as a sort of geostrophic wind. In addition, the velocity and wavelength of traveling wave solutions are studied. In general, due to the presence of advection, two regimes are identified: for strong diffusion the velocity varies linearly with advection, while for weak diffusion a power law is found with a characteristic exponent proportional to the diffusion.

  5. Coupled map lattices as computational systems

    NASA Astrophysics Data System (ADS)

    Holden, A. V.; Tucker, J. V.; Zhang, H.; Poole, M. J.

    1992-07-01

    The coupled map lattice (CML) as a mathematical model for a computer is considered. Using the theory of synchronous concurrent algorithms, it is shown that the CML is a valid new model for a parallel deterministic analog machine, but that, in principle, such a CML computer does not generate computations that cannot be reproduced by the standard mathematical models for computing on real numbers. The analysis is based on new general mathematical definitions of CMLs, and an axiomatic approach to determining which models of computation can be used to simulate CMLs.

  6. Mapping of continuum and lattice models for describing the adsorption of an ideal chain anchored to a planar surface

    NASA Astrophysics Data System (ADS)

    Gorbunov, A. A.; Skvortsov, A. M.; van Male, J.; Fleer, G. J.

    2001-03-01

    An ideal polymer chain anchored to a planar surface is considered by using both lattice and continuum model approaches. A general equation relating the lattice and continuum model adsorption interaction parameters is derived in a consistent way by substituting the exact continuum solution for the free chain end distribution function into the lattice model boundary condition. This equation is not mathematically exact but provides excellent results. With the use of this relation the quantitative equivalence between lattice and continuum results was demonstrated for chains of both infinite and finite length and for all three regimes corresponding to attractive, repulsive and adsorption-threshold energy of polymer-surface interaction. The obtained equations are used to discuss the distribution functions describing the tail of an anchored macromolecule and its adsorbed parts. For the tail-related properties the results are independent of the microscopic details of the polymer chain and the adsorbing surface. One interesting result obtained in the vicinity of adsorption threshold point is a bimodal tail length distribution function, which manifests chain populations with either tail or loop dominance. The properties related to the number of surface contacts contain, apart from universal scaling terms, also a nonuniversal factor depending on microscopic details of polymer-surface interaction. We derived an equation for calculating this nonuniversal factor for different lattice models and demonstrated excellent agreement between the lattice results and the continuum model.

  7. Velocity selection in coupled-map lattices

    NASA Astrophysics Data System (ADS)

    Parekh, Nita; Puri, Sanjay

    1993-02-01

    We investigate the phenomenon of velocity selection for traveling wave fronts in a class of coupled-map lattices, derived by discretizations of the Fisher equation [Ann. Eugenics 7, 355 (1937)]. We find that the velocity selection can be understood in terms of a discrete analog of the marginal-stability hypothesis. A perturbative approach also enables us to estimate the selected velocity accurately for small values of the discretization mesh sizes.

  8. Branes and integrable lattice models

    NASA Astrophysics Data System (ADS)

    Yagi, Junya

    2017-01-01

    This is a brief review of my work on the correspondence between four-dimensional 𝒩 = 1 supersymmetric field theories realized by brane tilings and two-dimensional integrable lattice models. I explain how to construct integrable lattice models from extended operators in partially topological quantum field theories, and elucidate the correspondence as an application of this construction.

  9. Modeling pions on the lattice

    NASA Astrophysics Data System (ADS)

    Cecile, D. J.

    In Quantum Chromodynamics (QCD), the pions are the lightest bound states. Current lattice QCD calculations are not able to study pions at realistic masses due to algorithmic difficulties. Instead, lattice studies are limited to unphysically large pion masses, and Chiral Perturbation Theory (ChPT) is often relied upon to extrapolate lattice results to the phenomenological regime and to the chiral limit, where quarks are massless. One of the outstanding problems in the field is to determine the range of quark masses where ChPT is valid and to understand the nonperturbative physics that may cause ChPT to break down. Given the difficulty of studying QCD, it is interesting and useful to construct a lattice field theory model of pions, which would allow a direct lattice calculation without the need for chiral extrapolations. This model can be used to evaluate the reliability of chiral extrapolations as applied to lattice data in the context of a lattice field theory that is exactly solvable numerically even at small quark masses and in the chiral limit. In this light, to create a model of pions of two-flavor Quantum Chromodynamics (QCD), a lattice field theory involving two flavors of staggered quarks interacting strongly with Abelian gauge fields is constructed. In the chiral limit, this theory exhibits a SUL(2) x SU R(2) x UA(1) symmetry. The UA(1) symmetry can be broken by introducing a four-fermion term into the action, thereby incorporating the physics of the QCD anomaly. To qualify as a meaningful model of QCD, this lattice model must exhibit spontaneous chiral symmetry breaking and confinement and must have a continuum limit. An interesting mechanism is introduced to address the continuum limit. In particular, an extra dimension allows one to tune a fictitious temperature in order to access a phase of broken symmetry and to find a range where the pion decay constant is much smaller than the lattice cutoff, i.e. Fpi ≪1a . Unlike lattice QCD, a major advantage of

  10. Critical properties of lattices of diffusively coupled quadratic maps.

    PubMed

    Van De Water, Willem; Bohr, Tomas

    1993-10-01

    We study the critical properties of lattices of coupled logistic maps in the regime where the individual maps are closely above the onset of chaos. We discuss both spatial and temporal characteristics and especially the link between them. We show that the mutual information function between two points on the lattice decays exponentially with distance. In this way we find support for the relation xi approximately lambda(-1/2) between the coherence length xi and the largest Lyapunov exponent lambda which is further corroborated by a detailed study of the spreading of small perturbations. Finally we study the structure function of the lattice field variable. It shows that at the onset of chaos the lattice remains smooth.

  11. Evolution of probability densities in stochastic coupled map lattices

    NASA Astrophysics Data System (ADS)

    Losson, Jérôme; Mackey, Michael C.

    1995-08-01

    This paper describes the statistical properties of coupled map lattices subjected to the influence of stochastic perturbations. The stochastic analog of the Perron-Frobenius operator is derived for various types of noise. When the local dynamics satisfy rather mild conditions, this equation is shown to possess either stable, steady state solutions (i.e., a stable invariant density) or density limit cycles. Convergence of the phase space densities to these limit cycle solutions explains the nonstationary behavior of statistical quantifiers at equilibrium. Numerical experiments performed on various lattices of tent, logistic, and shift maps with diffusivelike interelement couplings are examined in light of these theoretical results.

  12. Renormalization of aperiodic model lattices: spectral properties

    NASA Astrophysics Data System (ADS)

    Kroon, Lars; Riklund, Rolf

    2003-04-01

    Many of the published results for one-dimensional deterministic aperiodic systems treat rather simplified electron models with either a constant site energy or a constant hopping integral. Here we present some rigorous results for more realistic mixed tight-binding systems with both the site energies and the hopping integrals having an aperiodic spatial variation. It is shown that the mixed Thue-Morse, period-doubling and Rudin-Shapiro lattices can be transformed to on-site models on renormalized lattices maintaining the individual order between the site energies. The character of the energy spectra for these mixed models is therefore the same as for the corresponding on-site models. Furthermore, since the study of electrons on a lattice governed by the Schrödinger tight-binding equation maps onto the study of elastic vibrations on a harmonic chain, we have proved that the vibrational spectra of aperiodic harmonic chains with distributions of masses determined by the Thue-Morse sequence and the period-doubling sequence are purely singular continuous.

  13. Computational study of lattice models

    NASA Astrophysics Data System (ADS)

    Zujev, Aleksander

    This dissertation is composed of the descriptions of a few projects undertook to complete my doctorate at the University of California, Davis. Different as they are, the common feature of them is that they all deal with simulations of lattice models, and physics which results from interparticle interactions. As an example, both the Feynman-Kikuchi model (Chapter 3) and Bose-Fermi mixture (Chapter 4) deal with the conditions under which superfluid transitions occur. The dissertation is divided into two parts. Part I (Chapters 1-2) is theoretical. It describes the systems we study - superfluidity and particularly superfluid helium, and optical lattices. The numerical methods of working with them are described. The use of Monte Carlo methods is another unifying theme of the different projects in this thesis. Part II (Chapters 3-6) deals with applications. It consists of 4 chapters describing different projects. Two of them, Feynman-Kikuchi model, and Bose-Fermi mixture are finished and published. The work done on t - J model, described in Chapter 5, is more preliminary, and the project is far from complete. A preliminary report on it was given on 2009 APS March meeting. The Isentropic project, described in the last chapter, is finished. A report on it was given on 2010 APS March meeting, and a paper is in preparation. The quantum simulation program used for Bose-Fermi mixture project was written by our collaborators Valery Rousseau and Peter Denteneer. I had written my own code for the other projects.

  14. Lattice models of biological growth

    SciTech Connect

    Young, D.A.; Corey, E.M. )

    1990-06-15

    We show that very simple iterative rules for the growth of cells on a two-dimensional lattice can simulate biological-growth phenomena realistically. We discuss random cellular automata models for the growth of fern gametophytes, branching fungi, and leaves, and for shape transformations useful in the study of biological variation and evolution. Although there are interesting analogies between biological and physical growth processes, we stress the uniqueness of biological automata behavior. The computer growth algorithms that successfully mimic observed growth behavior may be helpful in determining the underlying biochemical mechanisms of growth regulation.

  15. Hash function based on chaotic map lattices

    NASA Astrophysics Data System (ADS)

    Wang, Shihong; Hu, Gang

    2007-06-01

    A new hash function system, based on coupled chaotic map dynamics, is suggested. By combining floating point computation of chaos and some simple algebraic operations, the system reaches very high bit confusion and diffusion rates, and this enables the system to have desired statistical properties and strong collision resistance. The chaos-based hash function has its advantages for high security and fast performance, and it serves as one of the most highly competitive candidates for practical applications of hash function for software realization and secure information communications in computer networks.

  16. Lattice models of ionic systems

    NASA Astrophysics Data System (ADS)

    Kobelev, Vladimir; Kolomeisky, Anatoly B.; Fisher, Michael E.

    2002-05-01

    A theoretical analysis of Coulomb systems on lattices in general dimensions is presented. The thermodynamics is developed using Debye-Hückel theory with ion-pairing and dipole-ion solvation, specific calculations being performed for three-dimensional lattices. As for continuum electrolytes, low-density results for simple cubic (sc), body-centered cubic (bcc), and face-centered cubic (fcc) lattices indicate the existence of gas-liquid phase separation. The predicted critical densities have values comparable to those of continuum ionic systems, while the critical temperatures are 60%-70% higher. However, when the possibility of sublattice ordering as well as Debye screening is taken into account systematically, order-disorder transitions and a tricritical point are found on sc and bcc lattices, and gas-liquid coexistence is suppressed. Our results agree with recent Monte Carlo simulations of lattice electrolytes.

  17. 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.

  18. Lattice Boltzmann modeling of phonon transport

    NASA Astrophysics Data System (ADS)

    Guo, Yangyu; Wang, Moran

    2016-06-01

    A novel lattice Boltzmann scheme is proposed for phonon transport based on the phonon Boltzmann equation. Through the Chapman-Enskog expansion, the phonon lattice Boltzmann equation under the gray relaxation time approximation recovers the classical Fourier's law in the diffusive limit. The numerical parameters in the lattice Boltzmann model are therefore rigorously correlated to the bulk material properties. The new scheme does not only eliminate the fictitious phonon speed in the diagonal direction of a square lattice system in the previous lattice Boltzmann models, but also displays very robust performances in predicting both temperature and heat flux distributions consistent with analytical solutions for diverse numerical cases, including steady-state and transient, macroscale and microscale, one-dimensional and multi-dimensional phonon heat transport. This method may provide a powerful numerical tool for deep studies of nonlinear and nonlocal heat transports in nanosystems.

  19. Regge calculus models of closed lattice universes

    NASA Astrophysics Data System (ADS)

    Liu, Rex G.; Williams, Ruth M.

    2016-01-01

    This paper examines the behavior of closed "lattice universes" wherein masses are distributed in a regular lattice on the Cauchy surfaces of closed vacuum universes. Such universes are approximated using a form of Regge calculus originally developed by Collins and Williams to model closed Friedmann-Lemaître-Robertson-Walker universes. We consider two types of lattice universes, one where all masses are identical to each other and another where one mass gets perturbed in magnitude. In the unperturbed universe, we consider the possible arrangements of the masses in the Regge Cauchy surfaces and demonstrate that the model will only be stable if each mass lies within some spherical region of convergence. We also briefly discuss the existence of Regge models that are dual to the ones we have considered. We then model a perturbed lattice universe and demonstrate that the model's evolution is well behaved, with the expansion increasing in magnitude as the perturbation is increased.

  20. Building the RHIC tracking lattice model

    SciTech Connect

    Luo, Y.; Fischer, W.; Tepikian, S.

    2010-01-27

    In this note we outline the procedure to build a realistic lattice model for the RHIC beam-beam tracking simulation. We will install multipole field errors in the arc main dipoles, arc main quadrupols and interaction region magnets (DX, D0, and triplets) and introduce a residual closed orbit, tune ripples, and physical apertures in the tracking lattice model. Nonlinearities such as local IR multipoles, second order chromaticies and third order resonance driving terms are also corrected before tracking.

  1. A self-learning coupled map lattice for vortex shedding in cable and cylinder wakes.

    PubMed

    Balasubramanian, G; Olinger, D J; Demetriou, M A

    2004-06-01

    A coupled map lattice (CML) with self-learning features is developed to model flow over freely vibrating cables and stationary cylinders at low Reynolds numbers. Coupled map lattices that combine a series of low-dimensional circle maps with a diffusion model have been used previously to predict qualitative features of these flows. However, the simple nature of these CML models implies that there will be unmodeled wake features if a detailed, quantitative comparison is made with laboratory or simulated wake flows. Motivated by a desire to develop an improved CML model, we incorporate self-learning features into a new CML that is first trained to precisely estimate wake patterns from a target numerical simulation. A new convective-diffusive map that includes additional wake dynamics is developed. The new self-learning CML uses an adaptive estimation scheme (multivariable least-squares algorithm). Studies of this approach are conducted using wake patterns from a Navier-Stokes solution (spectral element-based NEKTAR simulation) of freely vibrating cable wakes at Reynolds numbers Re=100. It is shown that the self-learning model accurately and efficiently estimates the simulated wake patterns. The self-learning scheme is then successfully applied to vortex shedding patterns obtained from experiments on stationary cylinders. This constitutes a first step toward the use of the self-learning CML as a wake model in flow control studies of laboratory wake flows.

  2. Modeling shocks in periodic lattice materials

    NASA Astrophysics Data System (ADS)

    Messner, Mark C.; Barham, Mathew I.; Kumar, Mukul; Barton, Nathan R.

    2017-01-01

    Periodic lattice materials are extremely light relative to their stiffness and strength. Developments in additive manufacturing technologies open the possibility of using periodic lattices as energy absorbers for impact loading. This work extends an equivalent continuum material model for periodic, stretch dominated lattices to shock compression by augmenting the model with an equation for the evolution of relative density under volumetric plastic deformation. When compared to detailed finite element simulations, this simple modification to the equivalent continuum model accurately captures some parts of the shock response, especially the behavior of elastic precursors. However, the model is less accurate for the properties of the compaction shock, reflecting inaccuracies in the final state of the material.

  3. Extra-dimensional models on the lattice

    SciTech Connect

    Knechtli, Francesco; Rinaldi, Enrico

    2016-08-05

    In this paper we summarize the ongoing effort to study extra-dimensional gauge theories with lattice simulations. In these models the Higgs field is identified with extra-dimensional components of the gauge field. The Higgs potential is generated by quantum corrections and is protected from divergences by the higher dimensional gauge symmetry. Dimensional reduction to four dimensions can occur through compactification or localization. Gauge-Higgs unification models are often studied using perturbation theory. Numerical lattice simulations are used to go beyond these perturbative expectations and to include nonperturbative effects. We describe the known perturbative predictions and their fate in the strongly-coupled regime for various extra-dimensional models.

  4. Entropic lattice Boltzmann model for Burgers's equation.

    PubMed

    Boghosian, Bruce M; Love, Peter; Yepez, Jeffrey

    2004-08-15

    Entropic lattice Boltzmann models are discrete-velocity models of hydrodynamics that possess a Lyapunov function. This feature makes them useful as nonlinearly stable numerical methods for integrating hydrodynamic equations. Over the last few years, such models have been successfully developed for the Navier-Stokes equations in two and three dimensions, and have been proposed as a new category of subgrid model of turbulence. In the present work we develop an entropic lattice Boltzmann model for Burgers's equation in one spatial dimension. In addition to its pedagogical value as a simple example of such a model, our result is actually a very effective way to simulate Burgers's equation in one dimension. At moderate to high values of viscosity, we confirm that it exhibits no trace of instability. At very small values of viscosity, however, we report the existence of oscillations of bounded amplitude in the vicinity of the shock, where gradient scale lengths become comparable with the grid size. As the viscosity decreases, the amplitude at which these oscillations saturate tends to increase. This indicates that, in spite of their nonlinear stability, entropic lattice Boltzmann models may become inaccurate when the ratio of gradient scale length to grid spacing becomes too small. Similar inaccuracies may limit the utility of the entropic lattice Boltzmann paradigm as a subgrid model of Navier-Stokes turbulence.

  5. Lattice Boltzmann model for numerical relativity

    NASA Astrophysics Data System (ADS)

    Ilseven, E.; Mendoza, M.

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

  6. Multisite Interactions in Lattice-Gas Models

    NASA Astrophysics Data System (ADS)

    Einstein, T. L.; Sathiyanarayanan, R.

    For detailed applications of lattice-gas models to surface systems, multisite interactions often play at least as significant a role as interactions between pairs of adatoms that are separated by a few lattice spacings. We recall that trio (3-adatom, non-pairwise) interactions do not inevitably create phase boundary asymmetries about half coverage. We discuss a sophisticated application to an experimental system and describe refinements in extracting lattice-gas energies from calculations of total energies of several different ordered overlayers. We describe how lateral relaxations complicate matters when there is direct interaction between the adatoms, an issue that is important when examining the angular dependence of step line tensions. We discuss the connector model as an alternative viewpoint and close with a brief account of recent work on organic molecule overlayers.

  7. Lattice Boltzmann model for numerical relativity.

    PubMed

    Ilseven, E; Mendoza, M

    2016-02-01

    In the Z4 formulation, Einstein equations are written as a set of flux conservative first-order hyperbolic equations that resemble fluid dynamics equations. Based on this formulation, we construct a lattice Boltzmann model for numerical relativity and validate it with well-established tests, also known as "apples with apples." Furthermore, we find that by increasing the relaxation time, we gain stability at the cost of losing accuracy, and by decreasing the lattice spacings while keeping a constant numerical diffusivity, the accuracy and stability of our simulations improve. Finally, in order to show the potential of our approach, a linear scaling law for parallelization with respect to number of CPU cores is demonstrated. Our model represents the first step in using lattice kinetic theory to solve gravitational problems.

  8. Influence of solitons on the transition to spatiotemporal chaos in coupled map lattices.

    PubMed

    Mikkelsen, René; van Hecke, Martin; Bohr, Tomas

    2003-04-01

    We study the transition from laminar to chaotic behavior in deterministic chaotic coupled map lattices and in an extension of the stochastic Domany-Kinzel cellular automaton [E. Domany and W. Kinzel, Phys. Rev. Lett. 53, 311 (1984)]. For the deterministic coupled map lattices, we find evidence that "solitons" can change the nature of the transition: for short soliton lifetimes it is of second order, while for longer but finite lifetimes, it is more reminiscent of a first-order transition. In the second-order regime, the deterministic model behaves like directed percolation with infinitely many absorbing states; we present evidence obtained from the study of bulk properties and the spreading of chaotic seeds in a laminar background. To study the influence of the solitons more specifically, we introduce a soliton including variant of the stochastic Domany-Kinzel cellular automaton. Similar to the deterministic model, we find a transition from second- to first-order behavior due to the solitons, both in a mean-field analysis and in a numerical study of the statistical properties of this stochastic model. Our study illustrates that under the appropriate mapping some deterministic chaotic systems behave like stochastic models; but it is hard to know precisely which degrees of freedom need to be included in such description.

  9. Lattice gas models with long range interactions

    NASA Astrophysics Data System (ADS)

    Aristoff, David; Zhu, Lingjiong

    2017-02-01

    We study microcanonical lattice gas models with long range interactions, including power law interactions. We rigorously obtain a variational principle for the entropy. In a one dimensional example, we find a first order phase transition by proving the entropy is non-differentiable along a certain curve.

  10. 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.

  11. Extra-dimensional models on the lattice

    DOE PAGES

    Knechtli, Francesco; Rinaldi, Enrico

    2016-08-05

    In this paper we summarize the ongoing effort to study extra-dimensional gauge theories with lattice simulations. In these models the Higgs field is identified with extra-dimensional components of the gauge field. The Higgs potential is generated by quantum corrections and is protected from divergences by the higher dimensional gauge symmetry. Dimensional reduction to four dimensions can occur through compactification or localization. Gauge-Higgs unification models are often studied using perturbation theory. Numerical lattice simulations are used to go beyond these perturbative expectations and to include nonperturbative effects. We describe the known perturbative predictions and their fate in the strongly-coupled regime formore » various extra-dimensional models.« less

  12. Lattice Boltzmann model for wave propagation.

    PubMed

    Zhang, Jianying; Yan, Guangwu; Shi, Xiubo

    2009-08-01

    A lattice Boltzmann model for two-dimensional wave equation is proposed by using the higher-order moment method. The higher-order moment method is based on the solution of a series of partial differential equations obtained by using multiscale technique and Chapman-Enskog expansion. In order to obtain the lattice Boltzmann model for the wave equation with higher-order accuracy of truncation errors, we removed the second-order dissipation term and the third-order dispersion term by employing the moments up to fourth order. The reversibility in time appears owing to the absence of the second-order dissipation term and the third-order dispersion term. As numerical examples, some classical examples, such as interference, diffraction, and wave passing through a convex lens, are simulated. The numerical results show that this model can be used to simulate wave propagation.

  13. A stochastic lattice model for locust outbreak

    NASA Astrophysics Data System (ADS)

    Kizaki, Shinya; Katori, Makoto

    The locust is a kind of grasshoppers. Gregarious locusts form swarms and can migrate over large distances and they spread and damage a large area (locust outbreak). When the density is low, each of locusts behaves as an individual insect (solitary phase). As locusts become crowded, they become to act as a part of a group (gregarious phase) as a result of interactions among them. Modeling of this phenomenon is a challenging problem of statistical physics. We introduce a stochastic cellular automaton model of locust population-dynamics on lattices. Change of environmental conditions by seasonal migration is a key factor in gregarisation of locusts and we take it into account by changing the lattice size periodically. We study this model by computer simulations and discuss the locust outbreak as a cooperative phenomena.

  14. Proposals for quantum simulating simple lattice gauge theory models using optical lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Jin; Unmuth-Yockey, Judah; Bazavov, Alexei; Meurice, Yannick; Tsai, Shan-Wen

    We derive an effective spin Hamiltonian for the (1 +1)-dimensional Abelian Higgs model in the strongly coupled region by integrating out the link variables. With finite spin truncations, the Hamiltonian can be matched with a 1-dimensional two-species Bose Hubbard model in the strong-coupling limit that can be implemented with cold atoms on an optical lattice. We study the phase diagram of the original Abelian Higgs model with Monte Carlo simulation and Tensor Renormalization Group methods. The results show a crossover line which terminates near the Kosterlitz-Thouless transition point. The effective quantum Hamiltonian is also studied with the DMRG method, and we find that they have a similar behavior. We discuss practical experimental implementations for our quantum simulator. Species-dependent optical lattices and ladder systems with double-well potentials are considered. We show how to obtain each of the interaction parameters required in the Bose-Hubbard model that we obtained, and confirm the possibility of tuning these interactions to the region in which our mapping is valid. We emphasize that this proposal for quantum simulating a gauge theory uses a manifestly gauge-invariant formulation and Gauss's Law is therefore automatically satisfied. Supported by DoD ARO under Grant No. W911NF-13-1-0119 and by the NSF under Grants No. DMR-1411345.

  15. Analysis of quantum spin models on hyperbolic lattices and Bethe lattice

    NASA Astrophysics Data System (ADS)

    Daniška, Michal; Gendiar, Andrej

    2016-04-01

    The quantum XY, Heisenberg, and transverse field Ising models on hyperbolic lattices are studied by means of the tensor product variational formulation algorithm. The lattices are constructed by tessellation of congruent polygons with coordination number equal to four. The calculated ground-state energies of the XY and Heisenberg models and the phase transition magnetic field of the Ising model on the series of lattices are used to estimate the corresponding quantities of the respective models on the Bethe lattice. The hyperbolic lattice geometry induces mean-field-like behavior of the models. The ambition to obtain results on the non-Euclidean lattice geometries has been motivated by theoretical studies of the anti-de Sitter/conformal field theory correspondence.

  16. The Bond Fluctuation Model and Other Lattice Models

    NASA Astrophysics Data System (ADS)

    Müller, Marcus

    Lattice models constitute a class of coarse-grained representations of polymeric materials. They have enjoyed a longstanding tradition for investigating the universal behavior of long chain molecules by computer simulations and enumeration techniques. A coarse-grained representation is often necessary to investigate properties on large time- and length scales. First, some justification for using lattice models will be given and the benefits and limitations will be discussed. Then, the bond fluctuation model by Carmesin and Kremer [1] is placed into the context of other lattice models and compared to continuum models. Some specific techniques for measuring the pressure in lattice models will be described. The bond fluctuation model has been employed in more than 100 simulation studies in the last decade and only few selected applications can be mentioned.

  17. Lattice Boltzmann model for simulation of magnetohydrodynamics

    NASA Technical Reports Server (NTRS)

    Chen, Shiyi; Chen, Hudong; Martinez, Daniel; Matthaeus, William

    1991-01-01

    A numerical method, based on a discrete Boltzmann equation, is presented for solving the equations of magnetohydrodynamics (MHD). The algorithm provides advantages similar to the cellular automaton method in that it is local and easily adapted to parallel computing environments. Because of much lower noise levels and less stringent requirements on lattice size, the method appears to be more competitive with traditional solution methods. Examples show that the model accurately reproduces both linear and nonlinear MHD phenomena.

  18. Lattice Boltzmann model for traffic flow.

    PubMed

    Meng, Jianping; Qian, Yuehong; Li, Xingli; Dai, Shiqiang

    2008-03-01

    Mesoscopic models for traffic flows are usually difficult to be employed because of the appearance of integro-differential terms in the models. In this work, a lattice Boltzmann model for traffic flow is introduced on the basis of the existing kinetics models by using the Bhatnagar-Gross-Krook-type approximation interaction term in the Boltzmann equation and discretizing it in time and phase space. The so-obtained model is simple while the relevant parameters are physically meaningful. Together with its discrete feature, the model can be easily used to investigate numerically the behavior of traffic flows. In consequence, the macroscopic dynamics of the model is derived using the Taylor and Chapman-Enskog expansions. For validating the model, numerical simulations are conducted under the periodic boundary conditions. It is found that the model could reasonably reproduce the fundamental diagram. Moreover, certain interesting physical phenomena can be captured by the model, such as the metastability and stop-and-go phenomena.

  19. Lattice model for water-solute mixtures

    NASA Astrophysics Data System (ADS)

    Furlan, A. P.; Almarza, N. G.; Barbosa, M. C.

    2016-10-01

    A lattice model for the study of mixtures of associating liquids is proposed. Solvent and solute are modeled by adapting the associating lattice gas (ALG) model. The nature of interaction of solute/solvent is controlled by tuning the energy interactions between the patches of ALG model. We have studied three set of parameters, resulting in, hydrophilic, inert, and hydrophobic interactions. Extensive Monte Carlo simulations were carried out, and the behavior of pure components and the excess properties of the mixtures have been studied. The pure components, water (solvent) and solute, have quite similar phase diagrams, presenting gas, low density liquid, and high density liquid phases. In the case of solute, the regions of coexistence are substantially reduced when compared with both the water and the standard ALG models. A numerical procedure has been developed in order to attain series of results at constant pressure from simulations of the lattice gas model in the grand canonical ensemble. The excess properties of the mixtures, volume and enthalpy as the function of the solute fraction, have been studied for different interaction parameters of the model. Our model is able to reproduce qualitatively well the excess volume and enthalpy for different aqueous solutions. For the hydrophilic case, we show that the model is able to reproduce the excess volume and enthalpy of mixtures of small alcohols and amines. The inert case reproduces the behavior of large alcohols such as propanol, butanol, and pentanol. For the last case (hydrophobic), the excess properties reproduce the behavior of ionic liquids in aqueous solution.

  20. Composite Interval Mapping Based on Lattice Design for Error Control May Increase Power of Quantitative Trait Locus Detection

    PubMed Central

    Huang, Zhongwen; Zhao, Tuanjie; Xing, Guangnan; Gai, Junyi; Guan, Rongzhan

    2015-01-01

    Experimental error control is very important in quantitative trait locus (QTL) mapping. Although numerous statistical methods have been developed for QTL mapping, a QTL detection model based on an appropriate experimental design that emphasizes error control has not been developed. Lattice design is very suitable for experiments with large sample sizes, which is usually required for accurate mapping of quantitative traits. However, the lack of a QTL mapping method based on lattice design dictates that the arithmetic mean or adjusted mean of each line of observations in the lattice design had to be used as a response variable, resulting in low QTL detection power. As an improvement, we developed a QTL mapping method termed composite interval mapping based on lattice design (CIMLD). In the lattice design, experimental errors are decomposed into random errors and block-within-replication errors. Four levels of block-within-replication errors were simulated to show the power of QTL detection under different error controls. The simulation results showed that the arithmetic mean method, which is equivalent to a method under random complete block design (RCBD), was very sensitive to the size of the block variance and with the increase of block variance, the power of QTL detection decreased from 51.3% to 9.4%. In contrast to the RCBD method, the power of CIMLD and the adjusted mean method did not change for different block variances. The CIMLD method showed 1.2- to 7.6-fold higher power of QTL detection than the arithmetic or adjusted mean methods. Our proposed method was applied to real soybean (Glycine max) data as an example and 10 QTLs for biomass were identified that explained 65.87% of the phenotypic variation, while only three and two QTLs were identified by arithmetic and adjusted mean methods, respectively. PMID:26076140

  1. Coupled-cluster method: A lattice-path-based subsystem approximation scheme for quantum lattice models

    SciTech Connect

    Bishop, R. F.; Li, P. H. Y.

    2011-04-15

    An approximation hierarchy, called the lattice-path-based subsystem (LPSUBm) approximation scheme, is described for the coupled-cluster method (CCM). It is applicable to systems defined on a regular spatial lattice. We then apply it to two well-studied prototypical (spin-(1/2) Heisenberg antiferromagnetic) spin-lattice models, namely, the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the ground-state energy, the ground-state sublattice magnetization, and the quantum critical point. They are all in good agreement with those from such alternative methods as spin-wave theory, series expansions, quantum Monte Carlo methods, and the CCM using the alternative lattice-animal-based subsystem (LSUBm) and the distance-based subsystem (DSUBm) schemes. Each of the three CCM schemes (LSUBm, DSUBm, and LPSUBm) for use with systems defined on a regular spatial lattice is shown to have its own advantages in particular applications.

  2. One-dimensional lattices topologically equivalent to two-dimensional lattices within the context of the lattice gas model, III. The hexagonal lattice

    NASA Astrophysics Data System (ADS)

    Costanza, E. F.; Costanza, G.

    2017-02-01

    Continuum partial differential equations are obtained from a set of discrete stochastic evolution equations of both non-Markovian and Markovian processes and applied to the diffusion within the context of the lattice gas model. A procedure allowing to construct one-dimensional lattices that are topologically equivalent to two-dimensional lattices is described in detail in the case of a hexagonal lattice which has the particular feature that need four types of dynamical variables. This example shows additional features to the general procedure and some extensions are also suggested in order to provide a wider insight in the present approach.

  3. One-dimensional lattices topologically equivalent to two-dimensional lattices within the context of the lattice gas model. II The triangular lattice

    NASA Astrophysics Data System (ADS)

    Costanza, E. F.; Costanza, G.

    2016-12-01

    Continuum partial differential equations are obtained from a set of discrete stochastic evolution equations of both non-Markovian and Markovian processes and applied to the diffusion within the context of the lattice gas model. A procedure allowing to construct one-dimensional lattices that are topologically equivalent to two-dimensional lattices is described in detail in the case of a triangular lattice. This example shows the general features that possess the procedure and extensions are also suggested in order to provide a wider insight in the present approach.

  4. Extended Scaling Relations for Planar Lattice Models

    NASA Astrophysics Data System (ADS)

    Benfatto, G.; Falco, P.; Mastropietro, V.

    2009-12-01

    It is widely believed that the critical properties of several planar lattice systems, like the Eight Vertex or the Ashkin-Teller models, are well described by an effective continuum fermionic theory obtained as a formal scaling limit. On the basis of this assumption several extended scaling relations among their indices were conjectured. We prove the validity of some of them, among which the ones predicted by Kadanoff (Phys Rev Lett 39:903-905, 1977) and by Luther and Peschel (Phys Rev B 12:3908-3917, 1975).

  5. Sznajd Sociophysics Model on a Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Chang, Iksoo

    The Sznajd sociophysics model is generalized on the triangular lattice with pure antiferromagnetic opinion and also with both ferromagnetic and antiferromagnetic opinions. The slogan of the trade union ``united we stand, divided we fall'' can be realized via the propagation of ferromagnetic opinion of adjacent people in the union, but the propagation of antiferromagnetic opinion can be observed among the third countries between two big super powers or among the family members of conflicting parents. Fixed points are found in both models. The distributions of relaxation time of the mixed model are dispersed and become closer to log-normal as the initial concentration of down spins approaches 0.5, whereas for pure antiferromagnetic spins, they are collapsed into one master curve, which is roughly log-normal. We do not see the phase transition in the model.

  6. Lattice gauge theories and spin models

    NASA Astrophysics Data System (ADS)

    Mathur, Manu; Sreeraj, T. P.

    2016-10-01

    The Wegner Z2 gauge theory-Z2 Ising spin model duality in (2 +1 ) dimensions is revisited and derived through a series of canonical transformations. The Kramers-Wannier duality is similarly obtained. The Wegner Z2 gauge-spin duality is directly generalized to SU(N) lattice gauge theory in (2 +1 ) dimensions to obtain the SU(N) spin model in terms of the SU(N) magnetic fields and their conjugate SU(N) electric scalar potentials. The exact and complete solutions of the Z2, U(1), SU(N) Gauss law constraints in terms of the corresponding spin or dual potential operators are given. The gauge-spin duality naturally leads to a new gauge invariant magnetic disorder operator for SU(N) lattice gauge theory which produces a magnetic vortex on the plaquette. A variational ground state of the SU(2) spin model with nearest neighbor interactions is constructed to analyze SU(2) gauge theory.

  7. Quantum Paramagnet in a π Flux Triangular Lattice Hubbard Model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-04-01

    We propose the π flux triangular lattice Hubbard model (π THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π THM that we identify for intermediate Hubbard U is framed by a Dirac semimetal for weak coupling and by 120° Néel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π THM maps to a Hubbard model which corresponds to the (JH,JK)=(-1 ,2 ) Heisenberg-Kitaev model in its strong coupling limit. The π THM provides a promising microscopic testing ground for exotic finite-U spin liquid ground states amenable to numerical investigation.

  8. Lattice animal model of chromosome organization

    NASA Astrophysics Data System (ADS)

    Iyer, Balaji V. S.; Arya, Gaurav

    2012-07-01

    Polymer models tied together by constraints of looping and confinement have been used to explain many of the observed organizational characteristics of interphase chromosomes. Here we introduce a simple lattice animal representation of interphase chromosomes that combines the features of looping and confinement constraints into a single framework. We show through Monte Carlo simulations that this model qualitatively captures both the leveling off in the spatial distance between genomic markers observed in fluorescent in situ hybridization experiments and the inverse decay in the looping probability as a function of genomic separation observed in chromosome conformation capture experiments. The model also suggests that the collapsed state of chromosomes and their segregation into territories with distinct looping activities might be a natural consequence of confinement.

  9. Improved models of dense anharmonic lattices

    NASA Astrophysics Data System (ADS)

    Rosenau, P.; Zilburg, A.

    2017-01-01

    We present two improved quasi-continuous models of dense, strictly anharmonic chains. The direct expansion which includes the leading effect due to lattice dispersion, results in a Boussinesq-type PDE with a compacton as its basic solitary mode. Without increasing its complexity we improve the model by including additional terms in the expanded interparticle potential with the resulting compacton having a milder singularity at its edges. A particular care is applied to the Hertz potential due to its non-analyticity. Since, however, the PDEs of both the basic and the improved model are ill posed, they are unsuitable for a study of chains dynamics. Using the bond length as a state variable we manipulate its dispersion and derive a well posed fourth order PDE.

  10. Modeling adsorption with lattice Boltzmann equation

    PubMed Central

    Guo, Long; Xiao, Lizhi; Shan, Xiaowen; Zhang, Xiaoling

    2016-01-01

    The research of adsorption theory has recently gained renewed attention due to its critical relevance to a number of trending industrial applications, hydrogen storage and shale gas exploration for instance. The existing theoretical foundation, laid mostly in the early twentieth century, was largely based on simple heuristic molecular interaction models and static interaction potential which, although being insightful in illuminating the fundamental mechanisms, are insufficient for computations with realistic adsorbent structure and adsorbate hydrodynamics, both critical for real-life applications. Here we present and validate a novel lattice Boltzmann model incorporating both adsorbate-adsorbate and adsorbate-adsorbent interactions with hydrodynamics which, for the first time, allows adsorption to be computed with real-life details. Connection with the classic Ono-Kondo lattice theory is established and various adsorption isotherms, both within and beyond the IUPAC classification are observed as a pseudo-potential is varied. This new approach not only enables an important physical to be simulated for real-life applications, but also provides an enabling theoretical framework within which the fundamentals of adsorption can be studied. PMID:27256325

  11. Modeling adsorption with lattice Boltzmann equation.

    PubMed

    Guo, Long; Xiao, Lizhi; Shan, Xiaowen; Zhang, Xiaoling

    2016-06-03

    The research of adsorption theory has recently gained renewed attention due to its critical relevance to a number of trending industrial applications, hydrogen storage and shale gas exploration for instance. The existing theoretical foundation, laid mostly in the early twentieth century, was largely based on simple heuristic molecular interaction models and static interaction potential which, although being insightful in illuminating the fundamental mechanisms, are insufficient for computations with realistic adsorbent structure and adsorbate hydrodynamics, both critical for real-life applications. Here we present and validate a novel lattice Boltzmann model incorporating both adsorbate-adsorbate and adsorbate-adsorbent interactions with hydrodynamics which, for the first time, allows adsorption to be computed with real-life details. Connection with the classic Ono-Kondo lattice theory is established and various adsorption isotherms, both within and beyond the IUPAC classification are observed as a pseudo-potential is varied. This new approach not only enables an important physical to be simulated for real-life applications, but also provides an enabling theoretical framework within which the fundamentals of adsorption can be studied.

  12. Majorana edge modes in Kitaev model on honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Thakurathi, Manisha; Sengupta, Krishnendu; Sen, Diptiman

    2015-03-01

    We study the Majorana modes, both equilibrium and Floquet, which can appear at the edges of the Kitaev model on the honeycomb lattice. We first present the analytical solutions known for the equilibrium Majorana edge modes for both zigzag and armchair edges of a semi-infinite Kitaev model and chart the parameter regimes of the model in which they appear. We then examine how edge modes can be generated if the Kitaev coupling on the bonds perpendicular to the edge is varied periodically in time as periodic δ-function kicks. We derive a general condition for the appearance and disappearance of the Floquet edge modes as a function of the drive frequency for a generic d-dimensional integrable system. We confirm this general condition for the Kitaev model with a finite width by mapping it to a one-dimensional model. Our numerical and analytical study of this problem shows that Floquet Majorana modes can appear on some edges in the kicked system even when the corresponding equilibrium Hamiltonian has no Majorana mode solutions on those edges. We support our analytical studies by numerics for finite sized system which show that periodic kicks can generate modes at the edges and the corners of the lattice. We thank CSIR, India and DST, India for financial support.

  13. Lattice Boltzmann model for resistive relativistic magnetohydrodynamics.

    PubMed

    Mohseni, F; Mendoza, M; Succi, S; Herrmann, H J

    2015-08-01

    In this paper, we develop a lattice Boltzmann model for relativistic magnetohydrodynamics (MHD). Even though the model is derived for resistive MHD, it is shown that it is numerically robust even in the high conductivity (ideal MHD) limit. In order to validate the numerical method, test simulations are carried out for both ideal and resistive limits, namely the propagation of Alfvén waves in the ideal MHD and the evolution of current sheets in the resistive regime, where very good agreement is observed comparing to the analytical results. Additionally, two-dimensional magnetic reconnection driven by Kelvin-Helmholtz instability is studied and the effects of different parameters on the reconnection rate are investigated. It is shown that the density ratio has a negligible effect on the magnetic reconnection rate, while an increase in shear velocity decreases the reconnection rate. Additionally, it is found that the reconnection rate is proportional to σ-1/2, σ being the conductivity, which is in agreement with the scaling law of the Sweet-Parker model. Finally, the numerical model is used to study the magnetic reconnection in a stellar flare. Three-dimensional simulation suggests that the reconnection between the background and flux rope magnetic lines in a stellar flare can take place as a result of a shear velocity in the photosphere.

  14. Lattice Boltzmann model for resistive relativistic magnetohydrodynamics

    NASA Astrophysics Data System (ADS)

    Mohseni, F.; Mendoza, M.; Succi, S.; Herrmann, H. J.

    2015-08-01

    In this paper, we develop a lattice Boltzmann model for relativistic magnetohydrodynamics (MHD). Even though the model is derived for resistive MHD, it is shown that it is numerically robust even in the high conductivity (ideal MHD) limit. In order to validate the numerical method, test simulations are carried out for both ideal and resistive limits, namely the propagation of Alfvén waves in the ideal MHD and the evolution of current sheets in the resistive regime, where very good agreement is observed comparing to the analytical results. Additionally, two-dimensional magnetic reconnection driven by Kelvin-Helmholtz instability is studied and the effects of different parameters on the reconnection rate are investigated. It is shown that the density ratio has a negligible effect on the magnetic reconnection rate, while an increase in shear velocity decreases the reconnection rate. Additionally, it is found that the reconnection rate is proportional to σ-1 / 2, σ being the conductivity, which is in agreement with the scaling law of the Sweet-Parker model. Finally, the numerical model is used to study the magnetic reconnection in a stellar flare. Three-dimensional simulation suggests that the reconnection between the background and flux rope magnetic lines in a stellar flare can take place as a result of a shear velocity in the photosphere.

  15. 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.

  16. Lattice-free models of directed cell motility

    NASA Astrophysics Data System (ADS)

    Irons, Carolyn; Plank, Michael J.; Simpson, Matthew J.

    2016-01-01

    Directed cell migration often occurs when individual cells move in response to an external chemical stimulus. Cells can respond by moving in either the direction of increasing (chemoattraction) or decreasing (chemorepulsion) concentration. Many previous models of directed cell migration use a lattice-based framework where agents undergo a lattice-based random walk and the direction of nearest-neighbour motility events is biased in a preferred direction. Such lattice-based models can lead to unrealistic configurations of agents, since the agents always move on an artificial lattice structure which is never observed experimentally. We present a lattice-free model of directed cell migration that incorporates two key features. First, agents move on a continuous domain, with the possibility that there is some preferred direction of motion. Second, to be consistent with experimental observations, we enforce a crowding mechanism so that motility events that would lead to agent overlap are not permitted. We compare simulation data from the new lattice-free model with a more traditional lattice-based model. To provide additional insight into the lattice-free model, we construct an approximate conservation statement which corresponds to a nonlinear advection-diffusion equation in the continuum limit. The solution of this mean-field model compares well with averaged data from the individual-based model.

  17. Multiple-Relaxation-Time Lattice Boltzmann Models in 3D

    NASA Technical Reports Server (NTRS)

    dHumieres, Dominique; Ginzburg, Irina; Krafczyk, Manfred; Lallemand, Pierre; Luo, Li-Shi; Bushnell, Dennis M. (Technical Monitor)

    2002-01-01

    This article provides a concise exposition of the multiple-relaxation-time lattice Boltzmann equation, with examples of fifteen-velocity and nineteen-velocity models in three dimensions. Simulation of a diagonally lid-driven cavity flow in three dimensions at Re=500 and 2000 is performed. The results clearly demonstrate the superior numerical stability of the multiple-relaxation-time lattice Boltzmann equation over the popular lattice Bhatnagar-Gross-Krook equation.

  18. Micropolar continuum modelling of bi-dimensional tetrachiral lattices

    PubMed Central

    Chen, Y.; Liu, X. N.; Hu, G. K.; Sun, Q. P.; Zheng, Q. S.

    2014-01-01

    The in-plane behaviour of tetrachiral lattices should be characterized by bi-dimensional orthotropic material owing to the existence of two orthogonal axes of rotational symmetry. Moreover, the constitutive model must also represent the chirality inherent in the lattices. To this end, a bi-dimensional orthotropic chiral micropolar model is developed based on the theory of irreducible orthogonal tensor decomposition. The obtained constitutive tensors display a hierarchy structure depending on the symmetry of the underlying microstructure. Eight additional material constants, in addition to five for the hemitropic case, are introduced to characterize the anisotropy under Z2 invariance. The developed continuum model is then applied to a tetrachiral lattice, and the material constants of the continuum model are analytically derived by a homogenization process. By comparing with numerical simulations for the discrete lattice, it is found that the proposed continuum model can correctly characterize the static and wave properties of the tetrachiral lattice. PMID:24808754

  19. Lattice and off-lattice side chain models of protein folding: linear time structure prediction better than 86% of optimal.

    PubMed

    Hart, W E; Istrail, S

    1997-01-01

    This paper considers the protein energy minimization problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. We consider two side chain models: a lattice model that generalizes the HP model (Dill, 1985) to explicitly represent side chains on the cubic lattice and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. We describe algorithms with mathematically guaranteed error bounds for both of these models. In particular, we describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 86% of optimal in a face-centered cubic lattice, and we demonstrate how this provides a better than 70% performance guarantee for the HP-TSSC model. Our analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Ngo et al. (1994) concerning the complexity of protein folding models that include side chains.

  20. Solution of an associating lattice-gas model with density anomaly on a Husimi lattice

    NASA Astrophysics Data System (ADS)

    Oliveira, Tiago J.; Stilck, Jürgen F.; Barbosa, Marco Aurélio A.

    2010-11-01

    We study a model of a lattice gas with orientational degrees of freedom which resemble the formation of hydrogen bonds between the molecules. In this model, which is the simplified version of the Henriques-Barbosa model, no distinction is made between donors and acceptors in the bonding arms. We solve the model in the grand-canonical ensemble on a Husimi lattice built with hexagonal plaquettes with a central site. The ground state of the model, which was originally defined on the triangular lattice, is exactly reproduced by the solution on this Husimi lattice. In the phase diagram, one gas and two liquid [high density liquid (HDL) and low density liquid (LDL)] phases are present. All phase transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three phases coexist at a triple point. A line of temperatures of maximum density in the isobars is found in the metastable GAS phase, as well as another line of temperatures of minimum density appears in the LDL phase, part of it in the stable region and another in the metastable region of this phase. These findings are at variance with simulational results for the same model on the triangular lattice, which suggested a phase diagram with two critical points. However, our results show very good quantitative agreement with the simulations, both for the coexistence loci and the densities of particles and of hydrogen bonds. We discuss the comparison of the simulations with our results.

  1. Solution of an associating lattice-gas model with density anomaly on a Husimi lattice.

    PubMed

    Oliveira, Tiago J; Stilck, Jürgen F; Barbosa, Marco Aurélio A

    2010-11-01

    We study a model of a lattice gas with orientational degrees of freedom which resemble the formation of hydrogen bonds between the molecules. In this model, which is the simplified version of the Henriques-Barbosa model, no distinction is made between donors and acceptors in the bonding arms. We solve the model in the grand-canonical ensemble on a Husimi lattice built with hexagonal plaquettes with a central site. The ground state of the model, which was originally defined on the triangular lattice, is exactly reproduced by the solution on this Husimi lattice. In the phase diagram, one gas and two liquid [high density liquid (HDL) and low density liquid (LDL)] phases are present. All phase transitions (GAS-LDL, GAS-HDL, and LDL-HDL) are discontinuous, and the three phases coexist at a triple point. A line of temperatures of maximum density in the isobars is found in the metastable GAS phase, as well as another line of temperatures of minimum density appears in the LDL phase, part of it in the stable region and another in the metastable region of this phase. These findings are at variance with simulational results for the same model on the triangular lattice, which suggested a phase diagram with two critical points. However, our results show very good quantitative agreement with the simulations, both for the coexistence loci and the densities of particles and of hydrogen bonds. We discuss the comparison of the simulations with our results.

  2. 2D mapping of texture and lattice parameters of dental enamel.

    PubMed

    Al-Jawad, Maisoon; Steuwer, Axel; Kilcoyne, Susan H; Shore, Roger C; Cywinski, Robert; Wood, David J

    2007-06-01

    We have used synchrotron X-ray diffraction to study the texture and the change in lattice parameter as a function of position in a cross section of human dental enamel. Our study is the first to map changes in preferred orientation and lattice parameter as a function of position within enamel across a whole tooth section with such high resolution. Synchrotron X-ray diffraction with a micro-focused beam spot was used to collect two-dimensional (2D) diffraction images at 150 microm spatial resolution over the entire tooth crown. Contour maps of the texture and lattice parameter distribution of the hydroxyapatite phase were produced from Rietveld refinement of diffraction patterns generated by azimuthally sectioning and integrating the 2D images. The 002 Debye ring showed the largest variation in intensity. This variation is indicative of preferred orientation. Areas of high crystallite alignment on the tooth cusps match the expected biting surfaces. Additionally we found a large variation in lattice parameter when travelling from the enamel surface to the enamel-dentine junction. We believe this to be due to a change in the chemical composition within the tooth. The results provide a new insight on the texture and lattice parameter profiles within enamel.

  3. QCD with Chiral Imbalance: models vs. lattice

    NASA Astrophysics Data System (ADS)

    Andrianov, Alexander; Andrianov, Vladimir; Espriu, Domenec

    2017-03-01

    In heavy ion collisions (HIC) at high energies there may appear new phases of matter which must be described by QCD. These phases may have different color and flavour symmetries associated with the constituents involved in collisions as well as various space-time symmetries of hadron matter. Properties of the QCD medium in such a matter can be approximately described, in particular, by a number of right-handed (RH) and left-handed (LH) light quarks. The chiral imbalance (ChI) is characterized by the difference between the numbers of RH and LH quarks and supposedly occurs in the fireball after HIC. Accordingly we have to introduce a quark chiral (axial) chemical potential which simulates a ChI emerging in such a phase. In this report we discuss the possibility of a phase with Local spatial Parity Breaking (LPB) in such an environment and outline conceivable signatures for the registration of LPB as well as the appearance of new states in the spectra of scalar, pseudoscalar and vector particles as a consequence of local ChI. The comparison of the results obtained in the effective QCD- motivated models with lattice data is also performed.

  4. Texture Analysis of Chaotic Coupled Map Lattices Based Image Encryption Algorithm

    NASA Astrophysics Data System (ADS)

    Khan, Majid; Shah, Tariq; Batool, Syeda Iram

    2014-09-01

    As of late, data security is key in different enclosures like web correspondence, media frameworks, therapeutic imaging, telemedicine and military correspondence. In any case, a large portion of them confronted with a few issues, for example, the absence of heartiness and security. In this letter, in the wake of exploring the fundamental purposes of the chaotic trigonometric maps and the coupled map lattices, we have presented the algorithm of chaos-based image encryption based on coupled map lattices. The proposed mechanism diminishes intermittent impact of the ergodic dynamical systems in the chaos-based image encryption. To assess the security of the encoded image of this scheme, the association of two nearby pixels and composition peculiarities were performed. This algorithm tries to minimize the problems arises in image encryption.

  5. Models of collective cell behaviour with crowding effects: comparing lattice-based and lattice-free approaches.

    PubMed

    Plank, Michael J; Simpson, Matthew J

    2012-11-07

    Individual-based models describing the migration and proliferation of a population of cells frequently restrict the cells to a predefined lattice. An implicit assumption of this type of lattice-based model is that a proliferative population will always eventually fill the lattice. Here, we develop a new lattice-free individual-based model that incorporates cell-to-cell crowding effects. We also derive approximate mean-field descriptions for the lattice-free model in two special cases motivated by commonly used experimental set-ups. Lattice-free simulation results are compared with these mean-field descriptions and with a corresponding lattice-based model. Data from a proliferation experiment are used to estimate the parameters for the new model, including the cell proliferation rate, showing that the model fits the data well. An important aspect of the lattice-free model is that the confluent cell density is not predefined, as with lattice-based models, but an emergent model property. As a consequence of the more realistic, irregular configuration of cells in the lattice-free model, the population growth rate is much slower at high cell densities and the population cannot reach the same confluent density as an equivalent lattice-based model.

  6. Lattice Entertain You: Paper Modeling of the 14 Bravais Lattices on Youtube

    ERIC Educational Resources Information Center

    Sein, Lawrence T., Jr.; Sein, Sarajane E.

    2015-01-01

    A system for the construction of double-sided paper models of the 14 Bravais lattices, and important crystal structures derived from them, is described. The system allows the combination of multiple unit cells, so as to better represent the overall three-dimensional structure. Students and instructors can view the models in use on the popular…

  7. Lattice and off-lattice side chain models of protein folding: Linear time structure prediction better than 86% of optimal

    SciTech Connect

    Hart, W.E.; Istrail, S.

    1996-08-09

    This paper considers the protein structure prediction problem for lattice and off-lattice protein folding models that explicitly represent side chains. Lattice models of proteins have proven extremely useful tools for reasoning about protein folding in unrestricted continuous space through analogy. This paper provides the first illustration of how rigorous algorithmic analyses of lattice models can lead to rigorous algorithmic analyses of off-lattice models. The authors consider two side chain models: a lattice model that generalizes the HP model (Dill 85) to explicitly represent side chains on the cubic lattice, and a new off-lattice model, the HP Tangent Spheres Side Chain model (HP-TSSC), that generalizes this model further by representing the backbone and side chains of proteins with tangent spheres. They describe algorithms for both of these models with mathematically guaranteed error bounds. In particular, the authors describe a linear time performance guaranteed approximation algorithm for the HP side chain model that constructs conformations whose energy is better than 865 of optimal in a face centered cubic lattice, and they demonstrate how this provides a 70% performance guarantee for the HP-TSSC model. This is the first algorithm in the literature for off-lattice protein structure prediction that has a rigorous performance guarantee. The analysis of the HP-TSSC model builds off of the work of Dancik and Hannenhalli who have developed a 16/30 approximation algorithm for the HP model on the hexagonal close packed lattice. Further, the analysis provides a mathematical methodology for transferring performance guarantees on lattices to off-lattice models. These results partially answer the open question of Karplus et al. concerning the complexity of protein folding models that include side chains.

  8. Critical behavior of the Widom--Rowlinson lattice model

    SciTech Connect

    Dickman, R.; Stell, G.

    1995-06-01

    We report extensive Monte Carlo simulations of the Widom--Rowlinson lattice model in two and three dimensions. Our results yield precise values for the critical activities and densities, and clearly place the critical behavior in the Ising universality class.

  9. Dependence of Initial Value on Pattern Formation for a Logistic Coupled Map Lattice

    PubMed Central

    Xu, Li; Zhang, Guang; Cui, Haoyue

    2016-01-01

    The logistic coupled map lattices (LCML) have been widely investigated as well as their pattern dynamics. The patterns formation may depend on not only fluctuations of system parameters, but variation of the initial conditions. However, the mathematical discussion is quite few for the effect of initial values so far. The present paper is concerned with the pattern formation for a two-dimensional Logistic coupled map lattice, where any initial value can be linear expressed by corresponding eigenvectors, and patterns formation can be determined by selecting the corresponding eigenvectors. A set of simulations are conducted whose results demonstrate the fact. The method utilized in the present paper could be applied to other discrete systems as well. PMID:27382964

  10. Folding in a semi-flexible lattice model for Crambin

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Farris, Alfred C. K.; Wüst, Thomas; Landau, David P.

    2016-01-01

    Using the Replica-Exchange Wang-Landau sampling method, we investigated and compared three different coarse-grained lattice protein models for the small, hydrophobic protein Crambin. We show that slight extensions of the HP lattice protein model, including the stiffness of bonds can lead to a significant decrease in ground-state degeneracies (up to 5 orders of magnitudes). Moreover, the ground-state structures begin to bear resemblance to native structures observed in real Crambin.

  11. Multiscale calculations of dislocation bias in fcc Ni and bcc Fe model lattices

    NASA Astrophysics Data System (ADS)

    Chang, Z.; Olsson, P.; Terentyev, D.; Sandberg, N.

    2015-06-01

    In order to gain more insights on void swelling, dislocation bias is studied in this work. Molecular static simulations with empirical potentials are applied to map the dislocation-point defects interaction energies in both fcc Ni and bcc Fe model lattices. The interaction energies are then used to numerically solve the diffusion equation and obtain the dislocation bias. The importance of the dislocation core region is studied under a the temperature range 573-1173 K and the dislocation densities 1012-1015m-2 . The results show that larger dislocation bias is found in the fcc Ni than in the bcc Fe under different temperatures and dislocation densities. The anisotropic interaction energy model is used to obtain the dislocation bias and the result is compared to that obtained using the atomistic interaction model, the contribution from the core structure is then shown in both the Ni lattice and the Fe lattice.

  12. Assembling Fibonacci anyons from a Z3 parafermion lattice model

    NASA Astrophysics Data System (ADS)

    Stoudenmire, E. M.; Clarke, David J.; Mong, Roger S. K.; Alicea, Jason

    2015-06-01

    Recent concrete proposals suggest it is possible to engineer a two-dimensional bulk phase supporting non-Abelian Fibonacci anyons out of Abelian fractional quantum Hall systems. The low-energy degrees of freedom of such setups can be modeled as Z3 parafermions "hopping" on a two-dimensional lattice. We use the density matrix renormalization group to study a model of this type interpolating between the decoupled-chain, triangular-lattice, and square-lattice limits. The results show clear evidence of the Fibonacci phase over a wide region of the phase diagram, most notably including the isotropic triangular-lattice point. We also study the broader phase diagram of this model and show that elsewhere it supports an Abelian state with semionic excitations.

  13. Spatial splay states and splay chimera states in coupled map lattices

    NASA Astrophysics Data System (ADS)

    Singha, Joydeep; Gupte, Neelima

    2016-11-01

    We study the existence and stability of splay states in the coupled sine circle map lattice system using analytic and numerical techniques. The splay states are observed for very low values of the nonlinearity parameter, i.e., for maps which deviate very slightly from the shift map case. We also observe that depending on the parameters of the system the splay state bifurcates to a mixed or chimera splay state consisting of a mixture of splay and synchronized states, together with kinks in the phases of some of the maps and then to a stable globally synchronized state. We show that these pure states and the mixed states are all temporally chaotic for our systems, and we explore the stability of these states to perturbations. Our studies may provide pointers to the behavior of systems in diverse application contexts such as Josephson junction arrays and chemical oscillations.

  14. Entropic Lattice Boltzmann Models and Quantum Computation

    DTIC Science & Technology

    2008-04-01

    cellular automata, quantum cellular automata, action principles, periodic orbits, turbulence U U U UL 8 Bruce M. Boghosian (617) 627–3054 Contents 1...thereof . . 6 2.5 Lattice Boltzmann algorithm for periodic unstable orbits . . . . . . . . . . . . . . . . . . . . . 7 3 Personnel Supported 7 3.1 2005...continue to work on it in the remaining period of this grant. There are reasons for optimism in the search for quantum circuits described above. First, if

  15. Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system

    SciTech Connect

    Banerjee, Tanmoy Paul, Bishwajit; Sarkar, B. C.

    2014-03-15

    We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

  16. Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system.

    PubMed

    Banerjee, Tanmoy; Paul, Bishwajit; Sarkar, B C

    2014-03-01

    We explore the spatiotemporal dynamics of a coupled map lattice (CML) system, which is realized with a one dimensional array of locally coupled digital phase-locked loops (DPLLs). DPLL is a nonlinear feedback-controlled system widely used as an important building block of electronic communication systems. We derive the phase-error equation of the spatially extended system of coupled DPLLs, which resembles a form of the equation of a CML system. We carry out stability analysis for the synchronized homogeneous solutions using the circulant matrix formalism. It is shown through extensive numerical simulations that with the variation of nonlinearity parameter and coupling strength the system shows transitions among several generic features of spatiotemporal dynamics, viz., synchronized fixed point solution, frozen random pattern, pattern selection, spatiotemporal intermittency, and fully developed spatiotemporal chaos. We quantify the spatiotemporal dynamics using quantitative measures like average quadratic deviation and spatial correlation function. We emphasize that instead of using an idealized model of CML, which is usually employed to observe the spatiotemporal behaviors, we consider a real world physical system and establish the existence of spatiotemporal chaos and other patterns in this system. We also discuss the importance of the present study in engineering application like removal of clock-skew in parallel processors.

  17. Ising model simulation in directed lattices and networks

    NASA Astrophysics Data System (ADS)

    Lima, F. W. S.; Stauffer, D.

    2006-01-01

    On directed lattices, with half as many neighbours as in the usual undirected lattices, the Ising model does not seem to show a spontaneous magnetisation, at least for lower dimensions. Instead, the decay time for flipping of the magnetisation follows an Arrhenius law on the square and simple cubic lattice. On directed Barabási-Albert networks with two and seven neighbours selected by each added site, Metropolis and Glauber algorithms give similar results, while for Wolff cluster flipping the magnetisation decays exponentially with time.

  18. Evaluation of Two Lattice Boltzmann Models for Multiphase Flows

    NASA Astrophysics Data System (ADS)

    Hou, Shuling; Shan, Xiaowen; Zou, Qisu; Doolen, Gary D.; Soll, Wendy E.

    1997-12-01

    Two lattice Boltzmann models for multiphase flows, the immiscible fluid model proposed by Rothman and Keller (R-K) and the multicomponent nonideal gas lattice Boltzmann model by Shan and Chen (S-C), are studied numerically to compare their abilities to simulate the physics of multiphase flows. The test problem is the simulation of a static bubble. Isotropy, strength of surface tension, thickness of the interface, spurious currents, Laplace's law, and steadiness of the bubble are examined. The results show that the S-C model is a major improvement over the R-K model.

  19. Visualization of Protein Folding Funnels in Lattice Models

    PubMed Central

    Oliveira, Antonio B.; Fatore, Francisco M.; Paulovich, Fernando V.; Oliveira, Osvaldo N.; Leite, Vitor B. P.

    2014-01-01

    Protein folding occurs in a very high dimensional phase space with an exponentially large number of states, and according to the energy landscape theory it exhibits a topology resembling a funnel. In this statistical approach, the folding mechanism is unveiled by describing the local minima in an effective one-dimensional representation. Other approaches based on potential energy landscapes address the hierarchical structure of local energy minima through disconnectivity graphs. In this paper, we introduce a metric to describe the distance between any two conformations, which also allows us to go beyond the one-dimensional representation and visualize the folding funnel in 2D and 3D. In this way it is possible to assess the folding process in detail, e.g., by identifying the connectivity between conformations and establishing the paths to reach the native state, in addition to regions where trapping may occur. Unlike the disconnectivity maps method, which is based on the kinetic connections between states, our methodology is based on structural similarities inferred from the new metric. The method was developed in a 27-mer protein lattice model, folded into a 3×3×3 cube. Five sequences were studied and distinct funnels were generated in an analysis restricted to conformations from the transition-state to the native configuration. Consistent with the expected results from the energy landscape theory, folding routes can be visualized to probe different regions of the phase space, as well as determine the difficulty in folding of the distinct sequences. Changes in the landscape due to mutations were visualized, with the comparison between wild and mutated local minima in a single map, which serves to identify different trapping regions. The extension of this approach to more realistic models and its use in combination with other approaches are discussed. PMID:25010343

  20. Supersymmetric nonlinear O(3) sigma model on the lattice

    NASA Astrophysics Data System (ADS)

    Flore, Raphael; Körner, Daniel; Wipf, Andreas; Wozar, Christian

    2012-11-01

    A supersymmetric extension of the nonlinear O(3) sigma model in two spacetime dimensions is investigated by means of Monte Carlo simulations. We argue that it is impossible to construct a lattice action that implements both the O(3) symmetry as well as at least one supersymmetry exactly at finite lattice spacing. It is shown by explicit calculations that previously proposed discretizations fail to reproduce the exact symmetries of the target manifold in the continuum limit. We provide an alternative lattice action with exact O(3) symmetry and compare two approaches based on different derivative operators. Using the nonlocal SLAC derivative for the quenched model on moderately sized lattices we extract the value σ(2 , u 0) = 1 .2604(13) for the step scaling function at u 0 = 1 .0595, to be compared with the exact value 1 .261210. For the supersymmetric model with SLAC derivative the discrete chiral symmetry is maintained but we encounter strong sign fluctuations, rendering large lattice simulations ineffective. By applying the Wilson prescription, supersymmetry and chiral symmetry are broken explicitly at finite lattice spacing, though there is clear evidence that both are restored in the continuum limit by fine tuning of a single mass parameter.

  1. Lattice Strain Mapping of Platinum Nanoparticles on Carbon and SnO2 Supports

    PubMed Central

    Daio, Takeshi; Staykov, Aleksandar; Guo, Limin; Liu, Jianfeng; Tanaka, Masaki; Matthew Lyth, Stephen; Sasaki, Kazunari

    2015-01-01

    It is extremely important to understand the properties of supported metal nanoparticles at the atomic scale. In particular, visualizing the interaction between nanoparticle and support, as well as the strain distribution within the particle is highly desirable. Lattice strain can affect catalytic activity, and therefore strain engineering via e.g. synthesis of core-shell nanoparticles or compositional segregation has been intensively studied. However, substrate-induced lattice strain has yet to be visualized directly. In this study, platinum nanoparticles decorated on graphitized carbon or tin oxide supports are investigated using spherical aberration-corrected scanning transmission electron microscopy (Cs-corrected STEM) coupled with geometric phase analysis (GPA). Local changes in lattice parameter are observed within the Pt nanoparticles and the strain distribution is mapped. This reveals that Pt nanoparticles on SnO2 are more highly strained than on carbon, especially in the region of atomic steps in the SnO2 lattice. These substrate-induced strain effects are also reproduced in density functional theory simulations, and related to catalytic oxygen reduction reaction activity. This study suggests that tailoring the catalytic activity of electrocatalyst nanoparticles via the strong metal-support interaction (SMSI) is possible. This technique also provides an experimental platform for improving our understanding of nanoparticles at the atomic scale. PMID:26283473

  2. Modeling of Triangular Lattice Space Structures with Curved Battens

    NASA Technical Reports Server (NTRS)

    Chen, Tzikang; Wang, John T.

    2005-01-01

    Techniques for simulating an assembly process of lattice structures with curved battens were developed. The shape of the curved battens, the tension in the diagonals, and the compression in the battens were predicted for the assembled model. To be able to perform the assembly simulation, a cable-pulley element was implemented, and geometrically nonlinear finite element analyses were performed. Three types of finite element models were created from assembled lattice structures for studying the effects of design and modeling variations on the load carrying capability. Discrepancies in the predictions from these models were discussed. The effects of diagonal constraint failure were also studied.

  3. Loop-corrected belief propagation for lattice spin models

    NASA Astrophysics Data System (ADS)

    Zhou, Hai-Jun; Zheng, Wei-Mou

    2015-12-01

    Belief propagation (BP) is a message-passing method for solving probabilistic graphical models. It is very successful in treating disordered models (such as spin glasses) on random graphs. On the other hand, finite-dimensional lattice models have an abundant number of short loops, and the BP method is still far from being satisfactory in treating the complicated loop-induced correlations in these systems. Here we propose a loop-corrected BP method to take into account the effect of short loops in lattice spin models. We demonstrate, through an application to the square-lattice Ising model, that loop-corrected BP improves over the naive BP method significantly. We also implement loop-corrected BP at the coarse-grained region graph level to further boost its performance.

  4. Thermodynamics of folding and association of lattice-model proteins

    NASA Astrophysics Data System (ADS)

    Cellmer, Troy; Bratko, Dusan; Prausnitz, John M.; Blanch, Harvey

    2005-05-01

    Closely related to the "protein folding problem" is the issue of protein misfolding and aggregation. Protein aggregation has been associated with the pathologies of nearly 20 human diseases and presents serious difficulties during the manufacture of pharmaceutical proteins. Computational studies of multiprotein systems have recently emerged as a powerful complement to experimental efforts aimed at understanding the mechanisms of protein aggregation. We describe the thermodynamics of systems containing two lattice-model 64-mers. A parallel tempering algorithm abates problems associated with glassy systems and the weighted histogram analysis method improves statistical quality. The presence of a second chain has a substantial effect on single-chain conformational preferences. The melting temperature is substantially reduced, and the increase in the population of unfolded states is correlated with an increase in interactions between chains. The transition from two native chains to a non-native aggregate is entropically favorable. Non-native aggregates receive ˜25% of their stabilizing energy from intraprotein contacts not found in the lowest-energy structure. Contact maps show that for non-native dimers, nearly 50% of the most probable interprotein contacts involve pairs of residues that form native contacts, suggesting that a domain-swapping mechanism is involved in self-association.

  5. Lattice Three-Species Models of the Spatial Spread of Rabies among FOXES

    NASA Astrophysics Data System (ADS)

    Benyoussef, A.; Boccara, N.; Chakib, H.; Ez-Zahraouy, H.

    Lattice models describing the spatial spread of rabies among foxes are studied. In these models, the fox population is divided into three-species: susceptible (S), infected or incubating (I), and infectious or rabid (R). They are based on the fact that susceptible and incubating foxes are territorial while rabid foxes have lost their sense of direction and move erratically. Two different models are investigated: a one-dimensional coupled-map lattice model, and a two-dimensional automata network model. Both models take into account the short-range character of the infection process and the diffusive motion of rabid foxes. Numerical simulations show how the spatial distribution of rabies, and the speed of propagation of the epizootic front depend upon the carrying capacity of the environment and diffusion of rabid foxes out of their territory.

  6. Lennard-Jones and lattice models of driven fluids.

    PubMed

    Díez-Minguito, M; Garrido, P L; Marro, J

    2005-08-01

    We introduce a nonequilibrium off-lattice model for anisotropic phenomena in fluids. This is a Lennard-Jones generalization of the driven lattice-gas model in which the particles' spatial coordinates vary continuously. A comparison between the two models allows us to discuss some exceptional, hardly realistic features of the original discrete system--which has been considered a prototype for nonequilibrium anisotropic phase transitions. We thus help to clarify open issues, and discuss on the implications of our observations for future investigation of anisotropic phase transitions.

  7. A new molecular thermodynamic model for multicomponent Ising lattice

    NASA Astrophysics Data System (ADS)

    Yang, Jianyong; Xin, Qin; Sun, Lei; Liu, Honglai; Hu, Ying; Jiang, Jianwen

    2006-10-01

    A new molecular thermodynamic model is developed for multicomponent Ising lattice based on a generalized nonrandom factor from binary system. Predictions of the nonrandom factor and the internal energy of mixing for ternary and quaternary systems match accurately with simulation results. Predictions of liquid-liquid phase equilibrium for ternary systems are in nearly perfect agreement with simulation results, and substantially improved from Flory-Huggins theory and the lattice-cluster theory. The model also satisfactorily correlates the experimental data of real ternary systems. The concise expression and the accuracy of the new model make it well suited for practical engineering applications.

  8. Flow Simulation Around Cambered Airfoil by Using Conformal Mapping and Intermediate Domain in Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Poozesh, Amin; Mirzaei, Masoud

    2017-01-01

    In this paper the developed interpolation lattice Boltzmann method is used for simulation of unsteady fluid flow. It combines the desirable features of the lattice Boltzmann and the Joukowski transformation methods. This approach has capability to simulate flow around curved boundary geometries such as airfoils in a body fitted grid system. Simulation of unsteady flow around a cambered airfoil in a non-uniform grid for the first time is considered to show the capability of this method for modeling of fluid flow around complex geometries and complicated long-term periodic flow phenomena. The developed solver is also coupled with a fast adaptive grid generator. In addition, the new approach retains all the advantages of the standard lattice Boltzmann method. The Strouhal number, the pressure, the drag and the lift coefficients obtained from the simulations agree well with classical computational fluid dynamics simulations. Numerical studies for various test cases illustrate the strength of this new approach.

  9. A Parallel Lattice Boltzmann Model of a Carotid Artery

    NASA Astrophysics Data System (ADS)

    Boyd, J.; Ryan, S. J.; Buick, J. M.

    2008-11-01

    A parallel implementation of the lattice Boltzmann model is considered for a three dimensional model of the carotid artery. The computational method and its parallel implementation are described. The performance of the parallel implementation on a Beowulf cluster is presented, as are preliminary hemodynamic results.

  10. Phase transitions in frustrated XY model on a square lattice

    NASA Astrophysics Data System (ADS)

    Qin, M. H.; Chen, X.; Liu, J. M.

    2009-12-01

    We study the phase diagram of a frustrated XY model with a nematic coupling (Δ) on the square lattice by means of Monte Carlo simulation. Besides the conventional magnetic-chiral phase, the phase diagram shows an obvious region in which the magnetism is algebraically ordered but the chirality remains disordered. In addition, in the large Δ region, a nematic-chiral phase without magnetic order is identified, which is similar to the phase found in the frustrated XY model on triangular lattice [J. H. Park, S. Onoda, N. Nagaosa, and J. H. Han, Phys. Rev. Lett. 101, 167202 (2008)

  11. Equations of state in a lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Yuan, Peng; Schaefer, Laura

    2006-04-01

    In this paper we consider the incorporation of various equations of state into the single-component multiphase lattice Boltzmann model. Several cubic equations of state, including the van der Waals, Redlich-Kwong, and Peng-Robinson, as well as a noncubic equation of state (Carnahan-Starling), are incorporated into the lattice Boltzmann model. The details of phase separation in these nonideal single-component systems are presented by comparing the numerical simulation results in terms of density ratios, spurious currents, and temperature ranges. A comparison with a real fluid system, i.e., the properties of saturated water and steam, is also presented.

  12. Phase transition of the Ising model on a fractal lattice.

    PubMed

    Genzor, Jozef; Gendiar, Andrej; Nishino, Tomotoshi

    2016-01-01

    The phase transition of the Ising model is investigated on a planar lattice that has a fractal structure. On the lattice, the number of bonds that cross the border of a finite area is doubled when the linear size of the area is extended by a factor of 4. The free energy and the spontaneous magnetization of the system are obtained by means of the higher-order tensor renormalization group method. The system exhibits the order-disorder phase transition, where the critical indices are different from those of the square-lattice Ising model. An exponential decay is observed in the density-matrix spectrum even at the critical point. It is possible to interpret that the system is less entangled because of the fractal geometry.

  13. The new integrable symplectic map and the symmetry of integrable nonlinear lattice equation

    NASA Astrophysics Data System (ADS)

    Dong, Huanhe; Zhang, Yong; Zhang, Xiaoen

    2016-07-01

    A discrete matrix spectral problem is presented and the hierarchy of discrete integrable systems is derived. Their Hamiltonian structures are established. As to the discrete integrable system, nonlinearization of the spatial parts of the Lax pairs and the adjoint Lax pairs generate a new integrable symplectic map. Based on the theory, a new integrable symplectic map and a family of finite-dimension completely integrable systems are given. Especially, two explicit equations are obtained under the Bargmann constraint. Finally, the symmetry of the discrete equation is provided according to the recursion operator and the seed symmetry. Although the solutions of the discrete equations have been gained by many methods, there are few articles that solving the discrete equation via the symmetry. So the solution of the discrete lattice equation is obtained through the symmetry theory.

  14. Emergent lattices with geometrical frustration in doped extended Hubbard models

    NASA Astrophysics Data System (ADS)

    Kaneko, Ryui; Tocchio, Luca F.; Valentí, Roser; Gros, Claudius

    2016-11-01

    Spontaneous charge ordering occurring in correlated systems may be considered as a possible route to generate effective lattice structures with unconventional couplings. For this purpose we investigate the phase diagram of doped extended Hubbard models on two lattices: (i) the honeycomb lattice with on-site U and nearest-neighbor V Coulomb interactions at 3 /4 filling (n =3 /2 ) and (ii) the triangular lattice with on-site U , nearest-neighbor V , and next-nearest-neighbor V' Coulomb interactions at 3 /8 filling (n =3 /4 ). We consider various approaches including mean-field approximations, perturbation theory, and variational Monte Carlo. For the honeycomb case (i), charge order induces an effective triangular lattice at large values of U /t and V /t , where t is the nearest-neighbor hopping integral. The nearest-neighbor spin exchange interactions on this effective triangular lattice are antiferromagnetic in most of the phase diagram, while they become ferromagnetic when U is much larger than V . At U /t ˜(V/t ) 3 , ferromagnetic and antiferromagnetic exchange interactions nearly cancel out, leading to a system with four-spin ring-exchange interactions. On the other hand, for the triangular case (ii) at large U and finite V', we find no charge order for small V , an effective kagome lattice for intermediate V , and one-dimensional charge order for large V . These results indicate that Coulomb interactions induce [case (i)] or enhance [case(ii)] emergent geometrical frustration of the spin degrees of freedom in the system, by forming charge order.

  15. A Lattice Model of the Development of Reading Comprehension.

    PubMed

    Connor, Carol McDonald

    2016-12-01

    In this article, I present a developmental model of how children learn to comprehend what they read, which builds on current models of reading comprehension and integrates findings from instructional research and evidence-based models of development in early and middle childhood. The lattice model holds that children's developing reading comprehension is a function of the interacting, reciprocal, and bootstrapping effects of developing text-specific, linguistic, and social-cognitive processes, which interact with instruction as child-characteristic-by-instruction (CXI) interaction effects. The processes develop over time and in the context of classroom, home, peer, community, and other influences to affect children's development of proficient reading comprehension. I first describe models of reading comprehension. I then review the basic processes in the model, the role of instruction, and CXI interactions in the context of the lattice model. I then discuss implications for instruction and research.

  16. Mapping the interactions of the single-stranded DNA binding protein of bacteriophage T4 (gp32) with DNA lattices at single nucleotide resolution: polynucleotide binding and cooperativity

    PubMed Central

    Jose, Davis; Weitzel, Steven E.; Baase, Walter A.; Michael, Miya M.; von Hippel, Peter H.

    2015-01-01

    We here use our site-specific base analog mapping approach to study the interactions and binding equilibria of cooperatively-bound clusters of the single-stranded DNA binding protein (gp32) of the T4 DNA replication complex with longer ssDNA (and dsDNA) lattices. We show that in cooperatively bound clusters the binding free energy appears to be equi-partitioned between the gp32 monomers of the cluster, so that all bind to the ssDNA lattice with comparable affinity, but also that the outer domains of the gp32 monomers at the ends of the cluster can fluctuate on and off the lattice and that the clusters of gp32 monomers can slide along the ssDNA. We also show that at very low binding densities gp32 monomers bind to the ssDNA lattice at random, but that cooperatively bound gp32 clusters bind preferentially at the 5′-end of the ssDNA lattice. We use these results and the gp32 monomer-binding results of the companion paper to propose a detailed model for how gp32 might bind to and interact with ssDNA lattices in its various binding modes, and also consider how these clusters might interact with other components of the T4 DNA replication complex. PMID:26275774

  17. Enantiomeric phase separation in a lattice gas model: Guggenheim approximation

    NASA Astrophysics Data System (ADS)

    Huckaby, Dale A.; Shinmi, Masato; Ausloos, Marcel; Clippe, Paulette

    1986-05-01

    We consider a lattice gas in which the two enantiomeric forms of a tetrahedral molecule, consisting of a central carbon atom bonded to four different groups A, B, G, and H, are adsorbed onto a triangular lattice, such that the carbon atom is above a lattice site, the three bonds to A, B, and G point toward neighboring lattice sites, and the bond to H points perpendicular to and away from the plane of the lattice. For a certain choice of intermolecular interactions, such as may exist between the zwitterion forms of an amino acid, the phase diagram was investigated using a Guggenheim approximation with two order parameters. Enantiomeric phase separation into two symmetric condensed phases occurs at low temperatures. These condensed phases become a single racemic condensed phase at a critical line, and they are in equilibrium with a racemic gas phase along a line of triple points. These two lines coincide at a critical endpoint. The racemic condensed and gas phases are in equilibrium along a two phase coexistence line which begins at the critical endpoint and ends at a critical point. No tricritical point was found in the model for the special choice of interactions studied.

  18. Elastic lattice modelling of seismic waves including a free surface

    NASA Astrophysics Data System (ADS)

    O`Brien, Gareth S.

    2014-06-01

    Elastic lattice methods (ELMs) have been shown to accurately model seismic wave propagation in a heterogeneous medium. These methods represent an elastic solid as a series of interconnected springs arranged on a lattice and recover a continuum wave equation in the long wavelength limit. However, in the case of a regular lattice, the recovery of the continuum equation depends on the symmetry of the lattice. By removing particles above a free surface this symmetry is broken. Therefore, this free surface implementation leads to errors when compared with a traction free boundary condition. The error between a traction free boundary condition and the ELMs grows as the Poisson's ratio deviates from 0.25. By modifying the interaction constants with a scalar, the error can be reduced while keeping the flexibility of the nearest neighbour interaction rule. We present results of simulations where modified spring constants reduce the misfit with a traction free boundary solution and hence increase the accuracy of the elastic lattice method solution on the free surface.

  19. Convergent series for lattice models with polynomial interactions

    NASA Astrophysics Data System (ADS)

    Ivanov, Aleksandr S.; Sazonov, Vasily K.

    2017-01-01

    The standard perturbative weak-coupling expansions in lattice models are asymptotic. The reason for this is hidden in the incorrect interchange of the summation and integration. However, substituting the Gaussian initial approximation of the perturbative expansions by a certain interacting model or regularizing original lattice integrals, one can construct desired convergent series. In this paper we develop methods, which are based on the joint and separate utilization of the regularization and new initial approximation. We prove, that the convergent series exist and can be expressed as re-summed standard perturbation theory for any model on the finite lattice with the polynomial interaction of even degree. We discuss properties of such series and study their applicability to practical computations on the example of the lattice ϕ4-model. We calculate <ϕn2 > expectation value using the convergent series, the comparison of the results with the Borel re-summation and Monte Carlo simulations shows a good agreement between all these methods.

  20. The BFSS model on the lattice

    NASA Astrophysics Data System (ADS)

    Filev, Veselin G.; O'Connor, Denjoe

    2016-05-01

    We study the maximally supersymmetric BFSS model at finite temperature and its bosonic relative. For the bosonic model in p+1 dimensions, we find that it effectively reduces to a system of gauged Gaussian matrix models. The effective model captures the low temperature regime of the model including one of its two phase transitions. The mass becomes p 1/3 λ 1/3 for large p, with λ the 't Hooft coupling. Simulations of the bosonic-BFSS model with p = 9 give m = (1 .965± .007) λ 1/3, which is also the mass gap of the Hamiltonian. We argue that there is no `sign' problem in the maximally supersymmetric BFSS model and perform detailed simulations of several observables finding excellent agreement with AdS/CFT predictions when 1 /α' corrections are included.

  1. ±J Ising model on homogeneous Archimedean lattices

    NASA Astrophysics Data System (ADS)

    Valdés, J. F.; Lebrecht, W.; Vogel, E. E.

    2012-04-01

    We tackle the problem of finding analytical expressions describing the ground state properties of homogeneous Archimedean lattices over which a generalized Edwards-Anderson model (±J Ising model) is defined. A local frustration analysis is performed based on representative cells for square lattices, triangular lattices and honeycomb lattices. The concentration of ferromagnetic (F) bonds x is used as the independent variable in the analysis (1-x is the concentration for antiferromagnetic (A) bonds), where x spans the range [0.0,1.0]. The presence of A bonds brings frustration, whose clear manifestation is when bonds around the minimum possible circuit of bonds (plaquette) cannot be simultaneously satisfied. The distribution of curved (frustrated) plaquettes within the representative cell is determinant for the evaluation of the parameters of interest such as average frustration segment, energy per bond, and fractional content of unfrustrated bonds. Two methods are developed to cope with this analysis: one based on the direct probability of a plaquette being curved; the other one is based on the consideration of the different ways bonds contribute to the particular plaquette configuration. Exact numerical simulations on a large number of randomly generated samples allow to validate previously described theoretical analysis. It is found that the second method presents slight advantages over the first one. However, both methods give an excellent description for most of the range for x. The small deviations at specific intervals of x for each lattice have to do with the self-imposed limitations of both methods due to practical reasons. A particular discussion for the point x=0.5 for each one of the lattices also shines light on the general trends of the properties described here.

  2. Finite-size corrections and scaling for the dimer model on the checkerboard lattice

    NASA Astrophysics Data System (ADS)

    Izmailian, Nickolay Sh.; Wu, Ming-Chya; Hu, Chin-Kun

    2016-11-01

    Lattice models are useful for understanding behaviors of interacting complex many-body systems. The lattice dimer model has been proposed to study the adsorption of diatomic molecules on a substrate. Here we analyze the partition function of the dimer model on a 2 M ×2 N checkerboard lattice wrapped on a torus and derive the exact asymptotic expansion of the logarithm of the partition function. We find that the internal energy at the critical point is equal to zero. We also derive the exact finite-size corrections for the free energy, the internal energy, and the specific heat. Using the exact partition function and finite-size corrections for the dimer model on a finite checkerboard lattice, we obtain finite-size scaling functions for the free energy, the internal energy, and the specific heat of the dimer model. We investigate the properties of the specific heat near the critical point and find that the specific-heat pseudocritical point coincides with the critical point of the thermodynamic limit, which means that the specific-heat shift exponent λ is equal to ∞ . We have also considered the limit N →∞ for which we obtain the expansion of the free energy for the dimer model on the infinitely long cylinder. From a finite-size analysis we have found that two conformal field theories with the central charges c =1 for the height function description and c =-2 for the construction using a mapping of spanning trees can be used to describe the dimer model on the checkerboard lattice.

  3. MaPLE: A MapReduce Pipeline for Lattice-based Evaluation and Its Application to SNOMED CT.

    PubMed

    Zhang, Guo-Qiang; Zhu, Wei; Sun, Mengmeng; Tao, Shiqiang; Bodenreider, Olivier; Cui, Licong

    2014-10-01

    Non-lattice fragments are often indicative of structural anomalies in ontological systems and, as such, represent possible areas of focus for subsequent quality assurance work. However, extracting the non-lattice fragments in large ontological systems is computationally expensive if not prohibitive, using a traditional sequential approach. In this paper we present a general MapReduce pipeline, called MaPLE (MapReduce Pipeline for Lattice-based Evaluation), for extracting non-lattice fragments in large partially ordered sets and demonstrate its applicability in ontology quality assurance. Using MaPLE in a 30-node Hadoop local cloud, we systematically extracted non-lattice fragments in 8 SNOMED CT versions from 2009 to 2014 (each containing over 300k concepts), with an average total computing time of less than 3 hours per version. With dramatically reduced time, MaPLE makes it feasible not only to perform exhaustive structural analysis of large ontological hierarchies, but also to systematically track structural changes between versions. Our change analysis showed that the average change rates on the non-lattice pairs are up to 38.6 times higher than the change rates of the background structure (concept nodes). This demonstrates that fragments around non-lattice pairs exhibit significantly higher rates of change in the process of ontological evolution.

  4. MaPLE: A MapReduce Pipeline for Lattice-based Evaluation and Its Application to SNOMED CT

    PubMed Central

    Zhang, Guo-Qiang; Zhu, Wei; Sun, Mengmeng; Tao, Shiqiang; Bodenreider, Olivier; Cui, Licong

    2015-01-01

    Non-lattice fragments are often indicative of structural anomalies in ontological systems and, as such, represent possible areas of focus for subsequent quality assurance work. However, extracting the non-lattice fragments in large ontological systems is computationally expensive if not prohibitive, using a traditional sequential approach. In this paper we present a general MapReduce pipeline, called MaPLE (MapReduce Pipeline for Lattice-based Evaluation), for extracting non-lattice fragments in large partially ordered sets and demonstrate its applicability in ontology quality assurance. Using MaPLE in a 30-node Hadoop local cloud, we systematically extracted non-lattice fragments in 8 SNOMED CT versions from 2009 to 2014 (each containing over 300k concepts), with an average total computing time of less than 3 hours per version. With dramatically reduced time, MaPLE makes it feasible not only to perform exhaustive structural analysis of large ontological hierarchies, but also to systematically track structural changes between versions. Our change analysis showed that the average change rates on the non-lattice pairs are up to 38.6 times higher than the change rates of the background structure (concept nodes). This demonstrates that fragments around non-lattice pairs exhibit significantly higher rates of change in the process of ontological evolution. PMID:25705725

  5. Thermodynamic properties of lattice hard-sphere models.

    PubMed

    Panagiotopoulos, A Z

    2005-09-08

    Thermodynamic properties of several lattice hard-sphere models were obtained from grand canonical histogram- reweighting Monte Carlo simulations. Sphere centers occupy positions on a simple cubic lattice of unit spacing and exclude neighboring sites up to a distance sigma. The nearestneighbor exclusion model, sigma = radical2, was previously found to have a second-order transition. Models with integer values of sigma = 1 or 2 do not have any transitions. Models with sigma = radical3 and sigma = 3 have weak first-order fluid-solid transitions while those with sigma = 2 radical2, 2 radical3, and 3 radical2 have strong fluid-solid transitions. Pressure, chemical potential, and density are reported for all models and compared to the results for the continuum, theoretical predictions, and prior simulations when available.

  6. Entropic multirelaxation lattice Boltzmann models for turbulent flows

    NASA Astrophysics Data System (ADS)

    Bösch, Fabian; Chikatamarla, Shyam S.; Karlin, Ilya V.

    2015-10-01

    We present three-dimensional realizations of a class of lattice Boltzmann models introduced recently by the authors [I. V. Karlin, F. Bösch, and S. S. Chikatamarla, Phys. Rev. E 90, 031302(R) (2014), 10.1103/PhysRevE.90.031302] and review the role of the entropic stabilizer. Both coarse- and fine-grid simulations are addressed for the Kida vortex flow benchmark. We show that the outstanding numerical stability and performance is independent of a particular choice of the moment representation for high-Reynolds-number flows. We report accurate results for low-order moments for homogeneous isotropic decaying turbulence and second-order grid convergence for most assessed statistical quantities. It is demonstrated that all the three-dimensional lattice Boltzmann realizations considered herein converge to the familiar lattice Bhatnagar-Gross-Krook model when the resolution is increased. Moreover, thanks to the dynamic nature of the entropic stabilizer, the present model features less compressibility effects and maintains correct energy and enstrophy dissipation. The explicit and efficient nature of the present lattice Boltzmann method renders it a promising candidate for both engineering and scientific purposes for highly turbulent flows.

  7. Entropic multirelaxation lattice Boltzmann models for turbulent flows.

    PubMed

    Bösch, Fabian; Chikatamarla, Shyam S; Karlin, Ilya V

    2015-10-01

    We present three-dimensional realizations of a class of lattice Boltzmann models introduced recently by the authors [I. V. Karlin, F. Bösch, and S. S. Chikatamarla, Phys. Rev. E 90, 031302(R) (2014)] and review the role of the entropic stabilizer. Both coarse- and fine-grid simulations are addressed for the Kida vortex flow benchmark. We show that the outstanding numerical stability and performance is independent of a particular choice of the moment representation for high-Reynolds-number flows. We report accurate results for low-order moments for homogeneous isotropic decaying turbulence and second-order grid convergence for most assessed statistical quantities. It is demonstrated that all the three-dimensional lattice Boltzmann realizations considered herein converge to the familiar lattice Bhatnagar-Gross-Krook model when the resolution is increased. Moreover, thanks to the dynamic nature of the entropic stabilizer, the present model features less compressibility effects and maintains correct energy and enstrophy dissipation. The explicit and efficient nature of the present lattice Boltzmann method renders it a promising candidate for both engineering and scientific purposes for highly turbulent flows.

  8. Elliptic pfaffians and solvable lattice models

    NASA Astrophysics Data System (ADS)

    Rosengren, Hjalmar

    2016-08-01

    We introduce and study twelve multivariable theta functions defined by pfaffians with elliptic function entries. We show that, when the crossing parameter is a cubic root of unity, the domain wall partition function for the eight-vertex-solid-on-solid model can be written as a sum of two of these pfaffians. As a limit case, we express the domain wall partition function for the three-colour model as a sum of two Hankel determinants. We also show that certain solutions of the TQ-equation for the supersymmetric eight-vertex model can be expressed in terms of elliptic pfaffians.

  9. KRAM, A lattice physics code for modeling the detailed depletion of gadolinia isotopes in BWR lattice designs

    SciTech Connect

    Knott, D.; Baratta, A. )

    1990-01-01

    Lattice physics codes are used to deplete the burnable isotopes present in each lattice design, calculate the buildup of fission products, and generate the few-group cross-section data needed by the various nodal simulator codes. Normally, the detailed depletion of gadolinia isotopes is performed outside the lattice physics code in a one-dimensional environment using an onion-skin model, such as the method used in MICBURN. Results from the onion-skin depletion, in the form of effective microscopic absorption cross sections for the gadolinia, are then used by the lattice physics code during the lattice-depletion analysis. The reactivity of the lattice at any point in the cycle depends to a great extent on the amount of gadolinia present. In an attempt to improve the modeling of gadolinia depletion from fresh boiling water reactor (BWR) fuel designs, the electric Power Research Institute (EPRI) lattice-physics code CPM-2 has been modified extensively. In this paper, the modified code KRAM is described, and results from various lattice-depletion analyses are discussed in comparison with results from standard CPM-2 and CASMO-2 analyses.

  10. Isotropic model for cluster growth on a regular lattice

    NASA Astrophysics Data System (ADS)

    Yates, Christian A.; Baker, Ruth E.

    2013-08-01

    There exists a plethora of mathematical models for cluster growth and/or aggregation on regular lattices. Almost all suffer from inherent anisotropy caused by the regular lattice upon which they are grown. We analyze the little-known model for stochastic cluster growth on a regular lattice first introduced by Ferreira Jr. and Alves [J. Stat. Mech. Theo. & Exp.1742-546810.1088/1742-5468/2006/11/P11007 (2006) P11007], which produces circular clusters with no discernible anisotropy. We demonstrate that even in the noise-reduced limit the clusters remain circular. We adapt the model by introducing a specific rearrangement algorithm so that, rather than adding elements to the cluster from the outside (corresponding to apical growth), our model uses mitosis-like cell splitting events to increase the cluster size. We analyze the surface scaling properties of our model and compare it to the behavior of more traditional models. In “1+1” dimensions we discover and explore a new, nonmonotonic surface thickness scaling relationship which differs significantly from the Family-Vicsek scaling relationship. This suggests that, for models whose clusters do not grow through particle additions which are solely dependent on surface considerations, the traditional classification into “universality classes” may not be appropriate.

  11. Deconfined Criticality in a J - Q model on Honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Pujari, Sumiran; Alet, Fabien; Damle, Kedar

    2013-03-01

    The Deconfined Criticality scenario[1] describes in the context of quantum magnets a generic non-Landau second-order transition between two orders that break different symmetries - antiferromagnetic order that breaks SU (2) symmetry and Valence bond (VB) order breaking lattice translational symmetry. We investigate this physics in the context of a J - Q model[2] on the honeycomb lattice using both T = 0 Projector Quantum Monte Carlo (QMC) and finite- T Stochastic Series Expansion QMC techniques. We find evidence for a continuous transition from different measurements including scaling of Néel and VB order parameters, Binder ratios of staggered magnetization, stiffness and uniform susceptibility. We have indications that this critical point belongs to the same universality class as the one observed on square lattice J - Q model. Our results also suggest that this critical fixed point controlling deconfined critical behaviour remains essentially unchanged even on the honeycomb lattice which allows three-fold hedgehog defects in the Néel order to be present in the continuum description of the critical point.

  12. Lattice Boltzmann model for the complex Ginzburg-Landau equation.

    PubMed

    Zhang, Jianying; Yan, Guangwu

    2010-06-01

    A lattice Boltzmann model with complex distribution function for the complex Ginzburg-Landau equation (CGLE) is proposed. By using multiscale technique and the Chapman-Enskog expansion on complex variables, we obtain a series of complex partial differential equations. Then, complex equilibrium distribution function and its complex moments are obtained. Based on this model, the rotation and oscillation properties of stable spiral waves and the breaking-up behavior of unstable spiral waves in CGLE are investigated in detail.

  13. Coronal Modeling and Synchronic Maps

    NASA Astrophysics Data System (ADS)

    Linker, Jon A.; Lionello, R.; Mikic, Z.; Riley, P.; Downs, C.; Henney, C. J.; Arge, C.

    2013-07-01

    MHD simulations of the solar corona rely on maps of the solar magnetic field (typically measured at the photosphere) for input as boundary conditions. These "synoptic" maps (available from a number of ground-based and space-based solar observatories), which are perhaps better described as "diachronic," are built up over a solar rotation. A well-known problem with this approach is that the maps contain data that is as much as 27 days old. The Sun's magnetic flux is always evolving, and these changes in the flux affect coronal and heliospheric structure. Flux evolution models can in principle provide a more accurate specification, by estimating the likely state of the photospheric magnetic field on unobserved portions of the Sun. The Air Force Data Assimilative Photospheric flux Transport (ADAPT) model (Arge et al. 2010), which incorporates data assimilation techniques into the Worden and Harvey (2000) flux evolution model, is especially well-suited for this purpose. In this presentation we describe the use of such "synchronic" maps with coronal models. We compare results using synchronic maps versus the traditional synoptic maps. Research supported by AFOSR, NASA, and NSF.

  14. The effect of randomness for dependency map on the robustness of interdependent lattices

    NASA Astrophysics Data System (ADS)

    Yuan, Jing; Li, Lixiang; Peng, Haipeng; Kurths, Jürgen; Xiao, Jinghua; Yang, Yixian

    2016-01-01

    The percolation for interdependent networks with identical dependency map follows a second-order phase transition which is exactly the same with percolation on a single network, while percolation for random dependency follows a first-order phase transition. In real networks, the dependency relations between networks are neither identical nor completely random. Thus in this paper, we study the influence of randomness for dependency maps on the robustness of interdependent lattice networks. We introduce approximate entropy(ApEn) as the measure of randomness of the dependency maps. We find that there is critical ApEnc below which the percolation is continuous, but for larger ApEn, it is a first-order transition. With the increment of ApEn, the pc increases until ApEn reaching A p E nc' and then remains almost constant. The time scale of the system shows rich properties as ApEn increases. Our results uncover that randomness is one of the important factors that lead to cascading failures of spatially interdependent networks.

  15. Three-dimensional lattice Boltzmann model for magnetic reconnection

    SciTech Connect

    Mendoza, M.; Munoz, J. D.

    2008-02-15

    We develop a three-dimensional (3D) lattice Boltzmann model that recovers in the continuous limit the two-fluids theory for plasmas, and consequently includes the generalized Ohm's law. The model reproduces the magnetic reconnection process just by giving the right initial equilibrium conditions in the magnetotail, without any assumption on the resistivity in the diffusive region. In this model, the plasma is handled similar to two fluids with an interaction term, each one with distribution functions associated to a cubic lattice with 19 velocities (D3Q19). The electromagnetic fields are considered as a third fluid with an external force on a cubic lattice with 13 velocities (D3Q13). The model can simulate either viscous fluids in the incompressible limit or nonviscous compressible fluids, and successfully reproduces both the Hartmann flow and the magnetic reconnection in the magnetotail. The reconnection rate in the magnetotail obtained with this model lies between R=0.062 and R=0.073, in good agreement with the observations.

  16. Application of coupled map lattice with parameter q in image encryption

    NASA Astrophysics Data System (ADS)

    Hao, Zhang; Xing-yuan, Wang; Si-wei, Wang; Kang, Guo; Xiao-hui, Lin

    2017-01-01

    In this paper, a novel coupled map lattice (CML) with parameter q is applied to image encryption to get higher security. The CML with parameter q is provided with Euler method and Adams-Bashforth-Moulton predictor-corrector method. In the new CML, dynamical properties are improved because the coupled strength can decrease the periodic dynamical behaviors which are caused by finite-precision. What's more, the CML changes system parameters from one-dimensional to two-dimensional. Two-dimensional parameters and coupling strengths provide researchers a possibility to improve the performance in image encryption. Finally, from numerical simulation results, it can be found that the CML improves the effectiveness and security.

  17. Transverse forces on a vortex in lattice models of superfluids

    NASA Astrophysics Data System (ADS)

    Sonin, E. B.

    2013-12-01

    The paper derives the transverse forces (the Magnus and the Lorentz forces) in the lattice models of superfluids in the continuous approximation. The continuous approximation restores translational invariance absent in the original lattice model, but the theory is not Galilean invariant. As a result, calculation of the two transverse forces on the vortex, Magnus force and Lorentz force, requires the analysis of two balances, for the true momentum of particles in the lattice (Magnus force) and for the quasimomentum (Lorentz force) known from the Bloch theory of particles in the periodic potential. While the developed theory yields the same Lorentz force, which was well known before, a new general expression for the Magnus force was obtained. The theory demonstrates how a small Magnus force emerges in the Josephson-junction array if the particle-hole symmetry is broken. The continuous approximation for the Bose-Hubbard model close to the superfluid-insulator transition was developed, which was used for calculation of the Magnus force. The theory shows that there is an area in the phase diagram for the Bose-Hubbard model, where the Magnus force has an inverse sign with respect to that which is expected from the sign of velocity circulation.

  18. Quark-gluon vertex model and lattice-QCD data

    SciTech Connect

    Bhagwat, M.S.; Tandy, P.C.

    2004-11-01

    A model for the dressed-quark-gluon vertex, at zero gluon momentum, is formed from a nonperturbative extension of the two Feynman diagrams that contribute at one loop in perturbation theory. The required input is an existing ladder-rainbow model Bethe-Salpeter kernel from an approach based on the Dyson-Schwinger equations; no new parameters are introduced. The model includes an Ansatz for the triple-gluon vertex. Two of the three vertex amplitudes from the model provide a pointwise description of the recent quenched-lattice-QCD data. An estimate of the effects of quenching is made.

  19. A unified model for two-lane lattice traffic flow

    NASA Astrophysics Data System (ADS)

    Wang, Yanhong

    2016-09-01

    In this paper, a unified model is presented for two-lane lattice traffic flow, with comparing different effects in the various lattice hydrodynamic models. Results of linear and nonlinear analysis show that multiple density difference effect (MDDE) is the strongest to enlarge the stable region in two-lane systems. Followed by density difference effect (DDE), multiple flux difference effect (MFDE), and finally flux difference effect (FDE). But when density is around 0.25, MFDE is better to enlarge the stable region than DDE. The reason is that a small flow-rate value might correspond to either a light traffic or a heavy traffic. Also energy consumption and traffic emissions are analyzed and shown to be the same marshaling sequence as linear and nonlinear analysis results. Numerical simulations validate theoretical analysis. And this is consistent with the realistic.

  20. Spin foam models for quantum gravity from lattice path integrals

    SciTech Connect

    Bonzom, Valentin

    2009-09-15

    Spin foam models for quantum gravity are derived from lattice path integrals. The setting involves variables from both lattice BF theory and Regge calculus. The action consists in a Regge action, which depends on areas, dihedral angles and includes the Immirzi parameter. In addition, a measure is inserted to ensure a consistent gluing of simplices, so that the amplitude is dominated by configurations that satisfy the parallel transport relations. We explicitly compute the path integral as a sum over spin foams for a generic measure. The Freidel-Krasnov and Engle-Pereira-Rovelli models correspond to a special choice of gluing. In this case, the equations of motion describe genuine geometries, where the constraints of area-angle Regge calculus are satisfied. Furthermore, the Immirzi parameter drops out of the on-shell action, and stationarity with respect to area variations requires spacetime geometry to be flat.

  1. Lunar Mapping and Modeling Project

    NASA Technical Reports Server (NTRS)

    Noble, Sarah K.; French, Raymond; Nall,Mark; Muery, Kimberly

    2009-01-01

    The Lunar Mapping and Modeling Project (LMMP) has been created to manage the development of a suite of lunar mapping and modeling products that support the Constellation Program (CxP) and other lunar exploration activities, including the planning, design, development, test and operations associated with lunar sortie missions, crewed and robotic operations on the surface, and the establishment of a lunar outpost. The project draws on expertise from several NASA and non-NASA organizations (MSFC, ARC, GSFC, JPL, CRREL and USGS). LMMP will utilize data predominately from the Lunar Reconnaissance Orbiter, but also historical and international lunar mission data (e.g. Apollo, Lunar Orbiter, Kaguya, Chandrayaan-1), as available and appropriate, to meet Constellation s data needs. LMMP will provide access to this data through a single, common, intuitive and easy to use NASA portal that transparently accesses appropriately sanctioned portions of the widely dispersed and distributed collections of lunar data, products and tools. LMMP will provide such products as DEMs, hazard assessment maps, lighting maps and models, gravity models, and resource maps. We are working closely with the LRO team to prevent duplication of efforts and ensure the highest quality data products. While Constellation is our primary customer, LMMP is striving to be as useful as possible to the lunar science community, the lunar education and public outreach (E/PO) community, and anyone else interested in accessing or utilizing lunar data.

  2. Modeling the Stability of Topological Matter in Optical Lattices

    DTIC Science & Technology

    2013-05-18

    We find that competing types of spiral order depend strongly on the spin- orbit coupling strength and effective Zeeman field. Fig. 5 shows examples of...show an emergent dispersion due to quantum effects . • Figure 5: Spin structure factors for different quantum phases. The upper panels show the results...apply to other systems: quantum wire arrays containing topological superconductors, quantum Hall effects , fractional Chern insulator lattice models

  3. 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.

  4. Three-dimensional lattice Boltzmann model for electrodynamics.

    PubMed

    Mendoza, M; Muñoz, J D

    2010-11-01

    In this paper we introduce a three-dimensional Lattice-Boltzmann model that recovers in the continuous limit the Maxwell equations in materials. In order to build conservation equations with antisymmetric tensors, like the Faraday law, the model assigns four auxiliary vectors to each velocity vector. These auxiliary vectors, when combined with the distribution functions, give the electromagnetic fields. The evolution is driven by the usual Bhatnager-Gross-Krook (BGK) collision rule, but with a different form for the equilibrium distribution functions. This lattice Bhatnager-Gross-Krook (LBGK) model allows us to consider for both dielectrics and conductors with realistic parameters, and therefore it is adequate to simulate the most diverse electromagnetic problems, like the propagation of electromagnetic waves (both in dielectric media and in waveguides), the skin effect, the radiation pattern of a small dipole antenna and the natural frequencies of a resonant cavity, all with 2% accuracy. Actually, it shows to be one order of magnitude faster than the original Finite-difference time-domain (FDTD) formulation by Yee to reach the same accuracy. It is, therefore, a valuable alternative to simulate electromagnetic fields and opens lattice Boltzmann for a broad spectrum of new applications in electrodynamics.

  5. 2D lattice model of a lipid bilayer: Microscopic derivation and thermodynamic exploration

    NASA Astrophysics Data System (ADS)

    Hakobyan, Davit; Heuer, Andreas

    2017-02-01

    Based on all-atom Molecular Dynamics (MD) simulations of a lipid bilayer we present a systematic mapping on a 2D lattice model. Keeping the lipid type and the chain order parameter as key variables we derive a free energy functional, containing the enthalpic interaction of adjacent lipids as well as the tail entropy. The functional form of both functions is explicitly determined for saturated and polyunsaturated lipids. By studying the lattice model via Monte Carlo simulations it is possible to reproduce the temperature dependence of the distribution of order parameters of the pure lipids, including the prediction of the gel transition. Furthermore, application to a mixture of saturated and polyunsaturated lipids yields the correct phase separation behavior at lower temperatures with a simulation time reduced by approximately 7 orders of magnitude as compared to the corresponding MD simulations. Even the time-dependence of the de-mixing is reproduced on a semi-quantitative level. Due to the generality of the approach we envisage a large number of further applications, ranging from modeling larger sets of lipids, sterols, and solvent proteins to predicting nucleation barriers for the melting of lipids. Particularly, from the properties of the 2D lattice model one can directly read off the enthalpy and entropy change of the 1,2-dipalmitoyl-sn-glycero-3-phosphocholine gel-to-liquid transition in excellent agreement with experimental and MD results.

  6. Coupling lattice Boltzmann and molecular dynamics models for dense fluids

    NASA Astrophysics Data System (ADS)

    Dupuis, A.; Kotsalis, E. M.; Koumoutsakos, P.

    2007-04-01

    We propose a hybrid model, coupling lattice Boltzmann (LB) and molecular dynamics (MD) models, for the simulation of dense fluids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The MD and LB formulations communicate via the exchange of velocities and velocity gradients at the interface. We validate the present LB-MD model in simulations of two- and three-dimensional flows of liquid argon past and through a carbon nanotube. Comparisons with existing hybrid algorithms and with reference MD solutions demonstrate the validity of the present approach.

  7. Coupling lattice Boltzmann and molecular dynamics models for dense fluids.

    PubMed

    Dupuis, A; Kotsalis, E M; Koumoutsakos, P

    2007-04-01

    We propose a hybrid model, coupling lattice Boltzmann (LB) and molecular dynamics (MD) models, for the simulation of dense fluids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The MD and LB formulations communicate via the exchange of velocities and velocity gradients at the interface. We validate the present LB-MD model in simulations of two- and three-dimensional flows of liquid argon past and through a carbon nanotube. Comparisons with existing hybrid algorithms and with reference MD solutions demonstrate the validity of the present approach.

  8. Model for mapping settlements

    DOEpatents

    Vatsavai, Ranga Raju; Graesser, Jordan B.; Bhaduri, Budhendra L.

    2016-07-05

    A programmable media includes a graphical processing unit in communication with a memory element. The graphical processing unit is configured to detect one or more settlement regions from a high resolution remote sensed image based on the execution of programming code. The graphical processing unit identifies one or more settlements through the execution of the programming code that executes a multi-instance learning algorithm that models portions of the high resolution remote sensed image. The identification is based on spectral bands transmitted by a satellite and on selected designations of the image patches.

  9. A Spin Glass Model with Vibrations of Crystal Lattices

    NASA Astrophysics Data System (ADS)

    Shang, Yu-Min; Cheng, Li-Min; Yao, Kai-Lun

    2005-01-01

    With the help of the replica method and imaginary-time functional-integrate technique, the spin glass model with the vibrations of crystal lattices is investigated. In the limit of the replica symmetry and the imaginary-time static approximation, the magnetic and thermodynamic quantities have been obtained. By the numerical calculations, we found that the magnetization of the system has the typical spin-glass behaviour. A peak is found in the susceptibility-temperature curve and is shifted to lower temperature with increasing applied field. Due to the lattice contribution, the specific heat increases strongly at high temperature. Due to the magnetic contribution, the anomaly in the specific heat-temperature curve forms a λ-type peak, which agrees with the observation of Rojo et al. [Phys. Rev. B 66 (2002) 094406].

  10. Filter-matrix lattice Boltzmann model for microchannel gas flows.

    PubMed

    Zhuo, Congshan; Zhong, Chengwen

    2013-11-01

    The lattice Boltzmann method has been shown to be successful for microscale gas flows, and it has attracted significant research interest. In this paper, the recently proposed filter-matrix lattice Boltzmann (FMLB) model is first applied to study the microchannel gas flows, in which a Bosanquet-type effective viscosity is used to capture the flow behaviors in the transition regime. A kinetic boundary condition, the combined bounce-back and specular-reflection scheme with the second-order slip scheme, is also designed for the FMLB model. By analyzing a unidirectional flow, the slip velocity and the discrete effects related to the boundary condition are derived within the FMLB model, and a revised scheme is presented to overcome such effects, which have also been validated through numerical simulations. To gain an accurate simulation in a wide range of Knudsen numbers, covering the slip and the entire transition flow regimes, a set of slip coefficients with an introduced fitting function is adopted in the revised second-order slip boundary condition. The periodic and pressure-driven microchannel flows have been investigated by the present model in this study. The numerical results, including the velocity profile and the mass flow rate, as well as the nonlinear pressure distribution along the channel, agree fairly well with the solutions of the linearized Boltzmann equation, the direct simulation Monte Carlo results, the experimental data, and the previous results of the multiple effective relaxation lattice Boltzmann model. Also, the present results of the velocity profile and the mass flow rate show that the present model with the fitting function can yield improved predictions for the microchannel gas flow with higher Knudsen numbers in the transition flow regime.

  11. Lattice Boltzmann Modeling of Thrombosis in Giant Aneurysms

    NASA Astrophysics Data System (ADS)

    Chopard, B.; Ouared, R.; Ruefenacht, D. A.; Yilmaz, H.

    We propose a numerical model of blood flow and blood clotting whose purpose is to describe thrombus formation in cerebral aneurysms. We identify possible mechanisms that can cause occurence of spontaneous thrombosis in unruptured giant intracranial aneurysms. Our main claim is that, under normal conditions, there is a low shear rate threshold below which thrombosis starts and growths. This assumption is supported by several evidences from literature. The proposed mechanisms are incorporated into a Lattice Boltzmann (LB) model for blood flow and platelets adhesion and aggregation. Numerical simulations show that the low shear rate threshold assumption together with aneurysm geometry account well for the observations.

  12. Continuum modeling of large lattice structures: Status and projections

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Mikulas, Martin M., Jr.

    1988-01-01

    The status and some recent developments of continuum modeling for large repetitive lattice structures are summarized. Discussion focuses on a number of aspects including definition of an effective substitute continuum; characterization of the continuum model; and the different approaches for generating the properties of the continuum, namely, the constitutive matrix, the matrix of mass densities, and the matrix of thermal coefficients. Also, a simple approach is presented for generating the continuum properties. The approach can be used to generate analytic and/or numerical values of the continuum properties.

  13. Exact solution of the dimer model on the generalized finite checkerboard lattice.

    PubMed

    Izmailian, N Sh; Hu, Chin-Kun; Kenna, R

    2015-06-01

    We present the exact closed-form expression for the partition function of a dimer model on a generalized finite checkerboard rectangular lattice under periodic boundary conditions. We investigate three different sets of dimer weights, each with different critical behaviors. We then consider different limits for the model on the three lattices. In one limit, the model for each of the three lattices is reduced to the dimer model on a rectangular lattice, which belongs to the c=-2 universality class. In another limit, two of the lattices reduce to the anisotropic Kasteleyn model on a honeycomb lattice, the universality class of which is given by c=1. The result that the dimer model on a generalized checkerboard rectangular lattice can manifest different critical behaviors is consistent with early studies in the thermodynamic limit and also provides insight into corrections to scaling arising from the finite-size versions of the model.

  14. General Hubbard Model for Fermions in an Optical Lattice

    NASA Astrophysics Data System (ADS)

    Kestner, Jason; Duan, Luming

    2009-03-01

    For two-component fermions in an optical lattice, an effective general Hubbard model (GHM) with tunable on-site attraction/repulsion and occupation-dependent hopping rates emerges from very general arguments [1]. This model is quite interesting, containing as special cases both the t-J and the XXZ models. However, the experimental range of applicability and the connection between the model parameters and the actual experimental parameters must be determined explicitly. To this end, we have used a stochastic variational approach with a correlated gaussian wavefunction to numerically find the eigenstates of two atoms interacting in a 3D few-well trap. By matching the few-site spectrum of the GHM to the variational spectrum obtained, the validity of the model and the relationship between experimental and model parameters are determined. [1] L.-M. Duan, Euro. Phys. Lett. 81, 20001 (2008).

  15. Non-standard Hubbard models in optical lattices: a review.

    PubMed

    Dutta, Omjyoti; Gajda, Mariusz; Hauke, Philipp; Lewenstein, Maciej; Lühmann, Dirk-Sören; Malomed, Boris A; Sowiński, Tomasz; Zakrzewski, Jakub

    2015-06-01

    Originally, the Hubbard model was derived for describing the behavior of strongly correlated electrons in solids. However, for over a decade now, variations of it have also routinely been implemented with ultracold atoms in optical lattices, allowing their study in a clean, essentially defect-free environment. Here, we review some of the vast literature on this subject, with a focus on more recent non-standard forms of the Hubbard model. After giving an introduction to standard (fermionic and bosonic) Hubbard models, we discuss briefly common models for mixtures, as well as the so-called extended Bose-Hubbard models, that include interactions between neighboring sites, next-neighbor sites, and so on. The main part of the review discusses the importance of additional terms appearing when refining the tight-binding approximation for the original physical Hamiltonian. Even when restricting the models to the lowest Bloch band is justified, the standard approach neglects the density-induced tunneling (which has the same origin as the usual on-site interaction). The importance of these contributions is discussed for both contact and dipolar interactions. For sufficiently strong interactions, the effects related to higher Bloch bands also become important even for deep optical lattices. Different approaches that aim at incorporating these effects, mainly via dressing the basis, Wannier functions with interactions, leading to effective, density-dependent Hubbard-type models, are reviewed. We discuss also examples of Hubbard-like models that explicitly involve higher p orbitals, as well as models that dynamically couple spin and orbital degrees of freedom. Finally, we review mean-field nonlinear Schrödinger models of the Salerno type that share with the non-standard Hubbard models nonlinear coupling between the adjacent sites. In that part, discrete solitons are the main subject of consideration. We conclude by listing some open problems, to be addressed in the future.

  16. Thrombosis modeling in intracranial aneurysms: a lattice Boltzmann numerical algorithm

    NASA Astrophysics Data System (ADS)

    Ouared, R.; Chopard, B.; Stahl, B.; Rüfenacht, D. A.; Yilmaz, H.; Courbebaisse, G.

    2008-07-01

    The lattice Boltzmann numerical method is applied to model blood flow (plasma and platelets) and clotting in intracranial aneurysms at a mesoscopic level. The dynamics of blood clotting (thrombosis) is governed by mechanical variations of shear stress near wall that influence platelets-wall interactions. Thrombosis starts and grows below a shear rate threshold, and stops above it. Within this assumption, it is possible to account qualitatively well for partial, full or no occlusion of the aneurysm, and to explain why spontaneous thrombosis is more likely to occur in giant aneurysms than in small or medium sized aneurysms.

  17. Lattice model for rapidly folding protein-like heteropolymers.

    PubMed Central

    Shrivastava, I; Vishveshwara, S; Cieplak, M; Maritan, A; Banavar, J R

    1995-01-01

    Protein folding is a relatively fast process considering the astronomical number of conformations in which a protein could find itself. Within the framework of a lattice model, we show that one can design rapidly folding sequences by assigning the strongest attractive couplings to the contacts present in a target native state. Our protein design can be extended to situations with both attractive and repulsive contacts. Frustration is minimized by ensuring that all the native contacts are again strongly attractive. Strikingly, this ensures the inevitability of folding and accelerates the folding process by an order of magnitude. The evolutionary implications of our findings are discussed. PMID:7568102

  18. Delayed-feedback control in a Lattice hydrodynamic model

    NASA Astrophysics Data System (ADS)

    Redhu, Poonam; Gupta, Arvind Kumar

    2015-10-01

    The delayed-feedback control (DFC) method for lattice hydrodynamic traffic flow model is investigated on a unidirectional road. By using the Hurwitz criteria and the condition for transfer function in term of H∞ -norm, we designed the feedback gain and delay time to stabilize the traffic flow and suppress the traffic jam. The Bode-plot of transfer function have been plotted and discussed that the stability region enhances with delayed-feedback control. It is shown that the delayed-feedback control method stabilizes the traffic flow and suppresses the traffic jam efficiently. The simulation results are in good agreement with the theoretical analysis.

  19. Entropic Lattice Boltzmann Model for Burger’s Equation

    DTIC Science & Technology

    2004-05-28

    invariant multi- speed entropic lattice Boltzmann models. Physica D. (In the press.) (doi:10.1016/j.physd. 2004.01.018.) Chen, H., Kandasamy , S ., Orszag, S ...61102F 6. AUTHOR( S ) 5d. PROJECT NUMBER B. M. Boghosian*, P. Love*, and J. Yepez 230𔃾 So. TASK NUMBER 0T f. WORK UNIT NUMBER Bi 7. PERFORMING...ORGANIZATION NAME( S ) AND ADDRESS(ES) 8. PERFORMING ORGANIZATION REPORT Air Force Research Laboratory/VSBYA NUMBER 29 Randolph Road Hanscom AFB MA 01731-3010

  20. Quantum chaos in the nuclear collective model. II. Peres lattices.

    PubMed

    Stránský, Pavel; Hruska, Petr; Cejnar, Pavel

    2009-06-01

    This is a continuation of our paper [Phys. Rev. E 79, 046202 (2009)] devoted to signatures of quantum chaos in the geometric collective model of atomic nuclei. We apply the method by Peres to study ordered and disordered patterns in quantum spectra drawn as lattices in the plane of energy vs average of a chosen observable. Good qualitative agreement with standard measures of chaos is manifested. The method provides an efficient tool for studying structural changes in eigenstates across quantum spectra of general systems.

  1. Frustrated honeycomb-lattice bilayer quantum antiferromagnet in a magnetic field: Unconventional phase transitions in a two-dimensional isotropic Heisenberg model

    NASA Astrophysics Data System (ADS)

    Krokhmalskii, Taras; Baliha, Vasyl; Derzhko, Oleg; Schulenburg, Jörg; Richter, Johannes

    2017-03-01

    We consider the spin-1/2 antiferromagnetic Heisenberg model on a bilayer honeycomb lattice including interlayer frustration in the presence of an external magnetic field. In the vicinity of the saturation field, we map the low-energy states of this quantum system onto the spatial configurations of hard hexagons on a honeycomb lattice. As a result, we can construct effective classical models (lattice-gas as well as Ising models) on the honeycomb lattice to calculate the properties of the frustrated quantum Heisenberg spin system in the low-temperature regime. We perform classical Monte Carlo simulations for a hard-hexagon model and adopt known results for an Ising model to discuss the finite-temperature order-disorder phase transition that is driven by a magnetic field at low temperatures. We also discuss an effective-model description around the ideal frustration case and find indications for a spin-flop-like transition in the considered isotropic spin model.

  2. Adaptive pixel-selection using chaotic map lattices for image cryptography

    NASA Astrophysics Data System (ADS)

    Sittigorn, Jirasak; Paithoonwattanakij, Kitti; Surawatpunya, Charray

    2014-01-01

    Chaotic theory has been used in cryptography application for generating a sequence of data that is close to pseudorandom number based on an adjusted initial condition and a parameter. However, data recovery becomes a crucial problem due to the precision of the parameters. This difficulty leads to limited usage of Chaotic-based cryptography especially for error sensitive applications such as voice cryptography. In order to enhance the encryption security and overcome this limitation, an Adaptive Pixel-Selection using Chaotic Map Lattices (APCML) is proposed. In APCML, the encryption sequence has been adaptively selected based on chaos generator. Moreover, the chaotic transformation and normalization boundary have been revised to alleviate the rounding error and inappropriate normalization boundary problems. In the experiments, the measurement indices of originality preservation, visual inspection, and statistical analysis are used to evaluate the performance of the proposed APCML compared to that of the original CML. Consequently, the APCML algorithm offers greater performance with full recovery of the original message.

  3. Frustrated square lattice Heisenberg model and magnetism in Iron Telluride

    NASA Astrophysics Data System (ADS)

    Zaliznyak, Igor; Xu, Zhijun; Gu, Genda; Tranquada, John; Stone, Matthew

    2011-03-01

    We have measured spin excitations in iron telluride Fe1.1Te, the parent material of (1,1) family of iron-based superconductors. It has been recognized that J1-J2-J3 frustrated Heisenberg model on a square lattice might be relevant for the unusual magnetism and, perhaps, the superconductivity in cuprates [1,2]. Recent neutron scattering measurements show that similar frustrated model might also provide reasonable account for magnetic excitations in iron pnictide materials. We find that it also describes general features of spin excitations in FeTe parent compound observed in our recent neutron measurements, as well as in those by other groups. Results imply proximity of magnetic system to the limit of extreme frustration. Selection of spin ground state under such conditions could be driven by weak extrinsic interactions, such as lattice distortion, or strain. Consequently, different nonuniversal types of magnetic order could arise, both commensurate and incommensurate. These are not necessarily intrinsic to an ideal J1-J2-J3 model, but might result from lifting of its near degeneracy by weak extrinsic perturbations.

  4. Quantum spin liquid in a π flux triangular lattice Hubbard model

    NASA Astrophysics Data System (ADS)

    Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny

    2015-03-01

    We propose the π flux triangular lattice Hubbard model (π-THM) as a prototypical setup to stabilize magnetically disordered quantum states of matter in the presence of charge fluctuations. The quantum paramagnetic domain of the π-THM which we identify for intermediate Hubbard U is framed by a Dirac semi-metal for weak coupling and by 120° Neel order for strong coupling. Generalizing the Klein duality from spin Hamiltonians to tight-binding models, the π-THM maps to a Hubbard model which corresponds to the (JH ,JK) = (- 1 , 2) Heisenberg-Kitaev model in its strong coupling limit. The π-THM provides a promising microscopic testing ground for exotic finite- U spin liquid ground states amenable to numerical investigation.

  5. Upon Generating Discrete Expanding Integrable Models of the Toda Lattice Systems and Infinite Conservation Laws

    NASA Astrophysics Data System (ADS)

    Zhang, Yufeng; Zhang, Xiangzhi; Wang, Yan; Liu, Jiangen

    2017-01-01

    With the help of R-matrix approach, we present the Toda lattice systems that have extensive applications in statistical physics and quantum physics. By constructing a new discrete integrable formula by R-matrix, the discrete expanding integrable models of the Toda lattice systems and their Lax pairs are generated, respectively. By following the constructing formula again, we obtain the corresponding (2+1)-dimensional Toda lattice systems and their Lax pairs, as well as their (2+1)-dimensional discrete expanding integrable models. Finally, some conservation laws of a (1+1)-dimensional generalised Toda lattice system and a new (2+1)-dimensional lattice system are generated, respectively.

  6. A Unified Theory of Non-Ideal Gas Lattice Boltzmann Models

    NASA Technical Reports Server (NTRS)

    Luo, Li-Shi

    1998-01-01

    A non-ideal gas lattice Boltzmann model is directly derived, in an a priori fashion, from the Enskog equation for dense gases. The model is rigorously obtained by a systematic procedure to discretize the Enskog equation (in the presence of an external force) in both phase space and time. The lattice Boltzmann model derived here is thermodynamically consistent and is free of the defects which exist in previous lattice Boltzmann models for non-ideal gases. The existing lattice Boltzmann models for non-ideal gases are analyzed and compared with the model derived here.

  7. Ising models on the 2 x 2 x {infinity} lattices

    SciTech Connect

    Yurishchev, M. A.

    2007-03-15

    Exact analytic solutions are presented for two 2 x 2 x {infinity} Ising etageres. The first model has a simple cubic lattice with fully anisotropic interactions. The second model consists of two different types of linear chains and includes noncrossing diagonal bonds on the side faces of the 2 x 2 x {infinity} parallelepiped. In both cases, the solutions are expressed through square radicals and obtained by using the obvious symmetry of the Hamiltonians, Z{sub 2} x C{sub 2v}, and the hidden algebraic {lambda}{lambda} symmetry of the transfer matrix secular equations. The solution found for the second model is used to analyze the behavior of specific heat in a frustrated many-chain system.

  8. Dynamic lattice-gas model of underpotential deposition

    NASA Astrophysics Data System (ADS)

    Brown, Gregory; Rikvold, Per Arne; Novotny, M. A.; Wieckowski, Andrzej

    1998-03-01

    Underpotential deposition (UPD) is the process by which a monolayer or less of one metal is adsorbed onto the surface of another at electrode potentials more positive than those at which bulk deposition occurs. For particular combinations of metals, lattice-gas models have been formulated and studied using both analytical and numerical techniques. Dynamic Monte Carlo simulations of a lattice-gas model of UPD of copper onto Au(111) in the presence of sulfuric acid are presented. The simulations include adsorption, desorption, and lateral diffusion and span timescales from 10-9 to 10^1 s. The results reproduce the strong asymmetry seen in experimental current profiles that occur after a sudden potential change.(M. H. Hölzle, et al.), J. Electroanal. Chem. \\underbar371, 101 (1994). The simulation technique can also be used to understand features in cyclic-voltammetry profiles, where the applied potential is changed continuously.

  9. Overview: Understanding nucleation phenomena from simulations of lattice gas models

    NASA Astrophysics Data System (ADS)

    Binder, Kurt; Virnau, Peter

    2016-12-01

    Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the roughening transition temperature facetted crystals rather than spherical droplets result. The possibility to find nucleation barriers from a thermodynamic analysis avoiding a cluster identification on the particle level is discussed, as well as the question of curvature corrections to the interfacial tension. For the interpretation of heterogeneous nucleation at planar walls, knowledge of contact angles and line tensions is desirable, and methods to extract these quantities from simulations will be mentioned. Finally, also the problem of nucleation near the stability limit of metastable states and the significance of the spinodal curve will be discussed, in the light of simulations of Ising models with medium range interactions.

  10. HTR Spherical Super Lattice Model for Equilibrium Fuel Cycle Analysis

    SciTech Connect

    Gray S. Cahng

    2005-09-01

    Advanced High Temperature gas-cooled Reactors (HTR) currently being developed (GFR, VHTR - Very High Temperature gas-cooled Reactor, PBMR, and GT-MHR) are able to achieve a simplification of safety through reliance on innovative features and passive systems. One of the innovative features in these HTRs is reliance on ceramic-coated fuel particles to retain the fission products even under extreme accident conditions. The effect of the random fuel kernel distribution in the fuel pebble / block is addressed through the use of the Dancoff correction factor in the resonance treatment. In addition, the Dancoff correction factor is a function of burnup and fuel kernel packing factor, which requires that the Dancoff correction factor be updated during Equilibrium Fuel Cycle (EqFC) analysis. Although HTR fuel is rather homogeneously dispersed in the fuel graphite matrix, the heterogeneity effects in between fuel kernels and pebbles cannot be ignored. The double-heterogeneous lattice model recently developed at the Idaho National Engineering and Environmental Laboratory (INEEL) contains tens of thousands of cubic fuel kernel cells, which makes it very difficult to deplete the fuel, kernel by kernel (KbK), for the EqFC analysis. In addition, it is not possible to preserve the cubic size and packing factor in a spherical fuel pebble. To avoid these difficulties, a newly developed and validated HTR pebble-bed Kernel-by-Kernel spherical (KbK-sph) model, has been developed and verified in this study. The objective of this research is to introduce the KbK-sph model and super whole Pebble lattice model (PLM). The verified double-heterogeneous KbK-sph and pebble homogeneous lattice model (HLM) are used for the fuel burnup chracteristics analysis and important safety parameters validation. This study summarizes and compares the KbK-sph and HLM burnup analyzed results. Finally, we discus the Monte-Carlo coupling with a fuel depletion and buildup code - Origen-2 as a fuel burnup

  11. Modes of interconnected lattice trusses using continuum models, part 1

    NASA Technical Reports Server (NTRS)

    Balakrishnan, A. V.

    1991-01-01

    This represents a continuing systematic attempt to explore the use of continuum models--in contrast to the Finite Element Models currently universally in use--to develop feedback control laws for stability enhancement of structures, particularly large structures, for deployment in space. We shall show that for the control objective, continuum models do offer unique advantages. It must be admitted of course that developing continuum models for arbitrary structures is no easy task. In this paper we take advantage of the special nature of current Large Space Structures--typified by the NASA-LaRC Evolutionary Model which will be our main concern--which consists of interconnected orthogonal lattice trusses each with identical bays. Using an equivalent one-dimensional Timoshenko beam model, we develop an almost complete continuum model for the evolutionary structure. We do this in stages, beginning only with the main bus as flexible and then going on to make all the appendages also flexible-except for the antenna structure. Based on these models we proceed to develop formulas for mode frequencies and shapes. These are shown to be the roots of the determinant of a matrix of small dimension compared with mode calculations using Finite Element Models, even though the matrix involves transcendental functions. The formulas allow us to study asymptotic properties of the modes and how they evolve as we increase the number of bodies which are treated as flexible. The asymptotics, in fact, become simpler.

  12. Lattice model of reduced jamming by a barrier

    NASA Astrophysics Data System (ADS)

    Cirillo, Emilio N. M.; Krehel, Oleh; Muntean, Adrian; van Santen, Rutger

    2016-10-01

    We study an asymmetric simple exclusion process in a strip in the presence of a solid impenetrable barrier. We focus on the effect of the barrier on the residence time of the particles, namely, the typical time needed by the particles to cross the whole strip. We explore the conditions for reduced jamming when varying the environment (different drifts, reservoir densities, horizontal diffusion walks, etc.). In particular, we discover an interesting nonmonotonic behavior of the residence time as a function of the barrier length. Besides recovering by means of both the lattice dynamics and the mean-field model well-known aspects like the faster-is-slower effect and the intermittence of the flow, we propose also a birth-and-death process and a reduced one-dimensional (1D) model with variable barrier permeability to capture the behavior of the residence time with respect to the parameters.

  13. Application of the underscreened Kondo lattice model to neptunium compounds

    NASA Astrophysics Data System (ADS)

    Thomas, Christopher; da Rosa Simoes, Acirete S.; Iglesias, J. R.; Lacroix, C.; Coqublin, B.

    2012-12-01

    The coexistence of Kondo effect and ferromagnetic order has been observed in many uranium and neptunium compounds such as UTe or Np2PdGa3. This coexistence can be described within the underscreened Anderson lattice model with two f-electrons and S = 1 spins on each site. After performing the Schrieffer-Wolff transformation on this model, we have obtained an effective Hamiltonian with a f-band term in addition to the Kondo interaction for S = 1 spins. The results indicate a coexistence of Kondo effect and ferromagnetic order, with different relative values of the Kondo TK and Curie TC temperatures. We emphasize here especially the case TK < TC where there is a Kondo behavior below TC and a clear decrease of the magnetization below TK. Such a behavior has been observed in the magnetization curves of NpNiSi2 at low temperatures.

  14. A lattice Boltzmann model for the Burgers-Fisher equation.

    PubMed

    Zhang, Jianying; Yan, Guangwu

    2010-06-01

    A lattice Boltzmann model is developed for the one- and two-dimensional Burgers-Fisher equation based on the method of the higher-order moment of equilibrium distribution functions and a series of partial differential equations in different time scales. In order to obtain the two-dimensional Burgers-Fisher equation, vector sigma(j) has been used. And in order to overcome the drawbacks of "error rebound," a new assumption of additional distribution is presented, where two additional terms, in first order and second order separately, are used. Comparisons with the results obtained by other methods reveal that the numerical solutions obtained by the proposed method converge to exact solutions. The model under new assumption gives better results than that with second order assumption.

  15. Monte Carlo lattice models for adsorbed polymer conformation

    NASA Technical Reports Server (NTRS)

    Good, B. S.

    1985-01-01

    The adhesion between a polymer film and a metal surface is of great technological interest. However, the prediction of adhesion and wear properties of polymer coated metals is quite difficult because a fundamental understanding of the polymer surface interaction does not yet exist. A computer model for the conformation of a polymer molecule adsorbed on a surface is discussed. The chain conformation is assumed to be described by a partially directed random walk on a three dimensional simple cubic lattice. An attractive surface potential is incorporated into the model through the use of a random walk step probability distribution that is anisotropic in the direction normal to the attractive surface. The effects of variations in potential characteristics are qualitatively included by varying both the degree of anisotropy of the step distribution and the range of the anisotropy. Polymer conformation is characterized by the average end to end distance, average radius of gyration, and average number of chain segments adsorbed on the surface.

  16. Lattice percolation approach to 3D modeling of tissue aging

    NASA Astrophysics Data System (ADS)

    Gorshkov, Vyacheslav; Privman, Vladimir; Libert, Sergiy

    2016-11-01

    We describe a 3D percolation-type approach to modeling of the processes of aging and certain other properties of tissues analyzed as systems consisting of interacting cells. Lattice sites are designated as regular (healthy) cells, senescent cells, or vacancies left by dead (apoptotic) cells. The system is then studied dynamically with the ongoing processes including regular cell dividing to fill vacant sites, healthy cells becoming senescent or dying, and senescent cells dying. Statistical-mechanics description can provide patterns of time dependence and snapshots of morphological system properties. The developed theoretical modeling approach is found not only to corroborate recent experimental findings that inhibition of senescence can lead to extended lifespan, but also to confirm that, unlike 2D, in 3D senescent cells can contribute to tissue's connectivity/mechanical stability. The latter effect occurs by senescent cells forming the second infinite cluster in the regime when the regular (healthy) cell's infinite cluster still exists.

  17. A Lattice Boltzmann Model for Oscillating Reaction-Diffusion

    NASA Astrophysics Data System (ADS)

    Rodríguez-Romo, Suemi; Ibañez-Orozco, Oscar; Sosa-Herrera, Antonio

    2016-07-01

    A computational algorithm based on the lattice Boltzmann method (LBM) is proposed to model reaction-diffusion systems. In this paper, we focus on how nonlinear chemical oscillators like Belousov-Zhabotinsky (BZ) and the chlorite-iodide-malonic acid (CIMA) reactions can be modeled by LBM and provide with new insight into the nature and applications of oscillating reactions. We use Gaussian pulse initial concentrations of sulfuric acid in different places of a bidimensional reactor and nondiffusive boundary walls. We clearly show how these systems evolve to a chaotic attractor and produce specific pattern images that are portrayed in the reactions trajectory to the corresponding chaotic attractor and can be used in robotic control.

  18. Shell-model study of the lattice dynamics of hydroxyapatite

    SciTech Connect

    Calderin, L.; Dunfield, D.; Stott, M.J.

    2005-12-01

    A shell model has been developed and used in a study of the lattice dynamics of hydroxyapatite. The results give insight into the modes of vibration of the lattice, but in addition, the dynamics has been used to obtain quantities involved in x-ray and neutron diffraction patterns and in infrared spectra to help in the interpretation of experimerimental data. Phonons throughout the Brillouin zone were obtained and used to calculate atomic thermal factors entering the x-ray and neutron scattering intensity. The calculated values were in very good agreement with experiment. The phonon modes were also obtained for the {gamma}-point taking into account the long range Coulomb correction to the dynamical matrix. They were used to calculate the infrared reflectivity for single crystals of hydroxyapatite through the dielectric function and using the dipole approximation, and the powder spectrum was also obtained using the dipole method. Although the positions of peaks in the measured intensities were in good agreement with the frequencies of features in the calculated phonon density of states, the calculated intensities were in poorer agreement with experiment.

  19. Sequence design in lattice models by graph theoretical methods

    NASA Astrophysics Data System (ADS)

    Sanjeev, B. S.; Patra, S. M.; Vishveshwara, S.

    2001-01-01

    A general strategy has been developed based on graph theoretical methods, for finding amino acid sequences that take up a desired conformation as the native state. This problem of inverse design has been addressed by assigning topological indices for the monomer sites (vertices) of the polymer on a 3×3×3 cubic lattice. This is a simple design strategy, which takes into account only the topology of the target protein and identifies the best sequence for a given composition. The procedure allows the design of a good sequence for a target native state by assigning weights for the vertices on a lattice site in a given conformation. It is seen across a variety of conformations that the predicted sequences perform well both in sequence and in conformation space, in identifying the target conformation as native state for a fixed composition of amino acids. Although the method is tested in the framework of the HP model [K. F. Lau and K. A. Dill, Macromolecules 22, 3986 (1989)] it can be used in any context if proper potential functions are available, since the procedure derives unique weights for all the sites (vertices, nodes) of the polymer chain of a chosen conformation (graph).

  20. Contact angles in the pseudopotential lattice Boltzmann modeling of wetting.

    PubMed

    Li, Qing; Luo, K H; Kang, Q J; Chen, Q

    2014-11-01

    In this paper we investigate the implementation of contact angles in the pseudopotential lattice Boltzmann modeling of wetting at a large density ratio ρ_{L}/ρ_{V}=500. The pseudopotential lattice Boltzmann model [X. Shan and H. Chen, Phys. Rev. E 49, 2941 (1994)10.1103/PhysRevE.49.2941] is a popular mesoscopic model for simulating multiphase flows and interfacial dynamics. In this model the contact angle is usually realized by a fluid-solid interaction. Two widely used fluid-solid interactions, the density-based interaction and the pseudopotential-based interaction, as well as a modified pseudopotential-based interaction formulated in the present paper are numerically investigated and compared in terms of the achievable contact angles, the maximum and the minimum densities, and the spurious currents. It is found that the pseudopotential-based interaction works well for simulating small static (liquid) contact angles θ<90^{∘}, however, it is unable to reproduce static contact angles close to 180^{∘}. Meanwhile, it is found that the proposed modified pseudopotential-based interaction performs better in light of the maximum and the minimum densities and is overall more suitable for simulating large contact angles θ>90^{∘} as compared with the two other types of fluid-solid interactions. Furthermore, the spurious currents are found to be enlarged when the fluid-solid interaction force is introduced. Increasing the kinematic viscosity ratio between the vapor and liquid phases is shown to be capable of reducing the spurious currents caused by the fluid-solid interactions.

  1. Contact angles in the pseudopotential lattice Boltzmann modeling of wetting

    NASA Astrophysics Data System (ADS)

    Li, Qing; Luo, K. H.; Kang, Q. J.; Chen, Q.

    2014-11-01

    In this paper we investigate the implementation of contact angles in the pseudopotential lattice Boltzmann modeling of wetting at a large density ratio ρL/ρV=500 . The pseudopotential lattice Boltzmann model [X. Shan and H. Chen, Phys. Rev. E 49, 2941 (1994), 10.1103/PhysRevE.49.2941] is a popular mesoscopic model for simulating multiphase flows and interfacial dynamics. In this model the contact angle is usually realized by a fluid-solid interaction. Two widely used fluid-solid interactions, the density-based interaction and the pseudopotential-based interaction, as well as a modified pseudopotential-based interaction formulated in the present paper are numerically investigated and compared in terms of the achievable contact angles, the maximum and the minimum densities, and the spurious currents. It is found that the pseudopotential-based interaction works well for simulating small static (liquid) contact angles θ <90∘ , however, it is unable to reproduce static contact angles close to 180∘. Meanwhile, it is found that the proposed modified pseudopotential-based interaction performs better in light of the maximum and the minimum densities and is overall more suitable for simulating large contact angles θ >90∘ as compared with the two other types of fluid-solid interactions. Furthermore, the spurious currents are found to be enlarged when the fluid-solid interaction force is introduced. Increasing the kinematic viscosity ratio between the vapor and liquid phases is shown to be capable of reducing the spurious currents caused by the fluid-solid interactions.

  2. Computer simulation study of a simple tetrahedratic mesogenic lattice model

    NASA Astrophysics Data System (ADS)

    Romano, Silvano

    2008-02-01

    Over the last 12 years, the possible existence of a tetrahedratic mesophase, involving a third-rank orientational order parameter and no positional order, has been addressed theoretically and predicted in some cases; no experimental realizations of a purely tetrahedratic phase are known at the time being, but various pieces of evidence suggest that interactions of tetrahedral symmetry do play a significant role in the macroscopic properties of mesophases resulting from banana-shaped (bent-core) mesogens. We address a very simple tetrahedratic mesogenic lattice model, involving continuous interactions; we consider particles possessing Td symmetry, whose centers of mass are associated with a three-dimensional simple-cubic lattice; the pair potential is taken to be isotropic in orientation space and restricted to nearest-neighboring sites; we let the two orthonormal triads {uα,α=1,2,3} and {vγ,γ=1,2,3} define the orientations of a pair of interacting particles; we let the unit vectors uα be combined to yield four unit vectors {ej,j=1,2,3,4} , arranged in a tetrahedral fashion; we let the unit vectors vγ be similarly combined to yield the four unit vectors {fk,k=1,2,3,4} ; and finally we let hjk=(ejṡfk) . The interaction model studied here is defined by the simplest nontrivial (cubic) polynomial in the scalar products hjk , consistent with the assumed symmetry and favoring orientational order; it is, so to speak, the tetrahedratic counterpart of the Lebwohl-Lasher model for uniaxial nematics. The model was investigated by molecular field (MF) theory and Monte Carlo simulations; MF theory predicts a low-temperature, tetrahedrically ordered phase, undergoing a second-order transition to the isotropic phase at higher temperature; on the other hand, available theoretical treatments point to the transition being driven first order by thermal fluctuations. Simulations showed evidence of a first-order transition.

  3. Lattice hydrodynamic model based traffic control: A transportation cyber-physical system approach

    NASA Astrophysics Data System (ADS)

    Liu, Hui; Sun, Dihua; Liu, Weining

    2016-11-01

    Lattice hydrodynamic model is a typical continuum traffic flow model, which describes the jamming transition of traffic flow properly. Previous studies in lattice hydrodynamic model have shown that the use of control method has the potential to improve traffic conditions. In this paper, a new control method is applied in lattice hydrodynamic model from a transportation cyber-physical system approach, in which only one lattice site needs to be controlled in this control scheme. The simulation verifies the feasibility and validity of this method, which can ensure the efficient and smooth operation of the traffic flow.

  4. Lunar Mapping and Modeling Project

    NASA Technical Reports Server (NTRS)

    Noble, Sarah K.; French, R. A.; Nall, M. E.; Muery, K. G.

    2009-01-01

    The Lunar Mapping and Modeling Project (LMMP) has been created to manage the development of a suite of lunar mapping and modeling products that support the Constellation Program (CxP) and other lunar exploration activities, including the planning, design, development, test and operations associated with lunar sortie missions, crewed and robotic operations on the surface, and the establishment of a lunar outpost. The information provided through LMMP will assist CxP in: planning tasks in the areas of landing site evaluation and selection, design and placement of landers and other stationary assets, design of rovers and other mobile assets, developing terrain-relative navigation (TRN) capabilities, and assessment and planning of science traverses. The project draws on expertise from several NASA and non-NASA organizations (MSFC, ARC, GSFC, JPL, CRREL US Army Cold Regions Research and Engineering Laboratory, and the USGS). LMMP will utilize data predominately from the Lunar Reconnaissance Orbiter, but also historical and international lunar mission data (e.g. Apollo, Lunar Orbiter, Kaguya, Chandrayaan-1), as available and appropriate, to meet Constellation s data needs. LMMP will provide access to this data through a single intuitive and easy to use NASA portal that transparently accesses appropriately sanctioned portions of the widely dispersed and distributed collections of lunar data, products and tools. Two visualization systems are being developed, a web-based system called Lunar Mapper, and a desktop client, ILIADS, which will be downloadable from the LMMP portal. LMMP will provide such products as local and regional imagery and DEMs, hazard assessment maps, lighting and gravity models, and resource maps. We are working closely with the LRO team to prevent duplication of efforts and to ensure the highest quality data products. While Constellation is our primary customer, LMMP is striving to be as useful as possible to the lunar science community, the lunar

  5. Mathematical Model for Mapping Students' Cognitive Capability

    ERIC Educational Resources Information Center

    Tambunan, Hardi

    2016-01-01

    The quality mapping of educational unit program is important issue in education in Indonesia today in an effort to improve the quality of education. The objective of this study is to make a mathematical model to find out the map of students' capability in mathematics. It has been made a mathematical model to be used in the mapping of students'…

  6. Thermodynamics and Phase Transitions of Ising Model on Inhomogeneous Stochastic Recursive Lattice

    NASA Astrophysics Data System (ADS)

    Huang, Ran

    As one of the few exactly solvable thermodynamic models, the Ising model on recursive lattice is featured by its impressive advantages and successful applications in various thermodynamic and statistical researches. However this model was considered that, since the recursive calculation demands homogeneous structure, it can only describe the bulk and even systems with narrow utilization. In this work we figured out a practical methodology to extend the conventional homogeneous structure of single-unit Husimi lattice to be random inhomogeneous lattices with variable units and structures, while keeping the feature of exact calculation. Three designs of inhomogeneous recursive lattices: the random-angled rhombus lattice, the Husimi lattice of variable units, and the randomly multi-branched Husimi square lattice; and the corresponding exact recursive calculations based on the partial partition function algorithm, which is derived from the Bethe Cavity method, have been investigated and developed. With the ``total-symmetry assumption'' and the ``iterative-replica trick'' we were able to exactly solve the classical ferromagnetic spin-1 Ising models on these lattices, to describe the complex systems that can only be solved by approximations or simulations on regular lattices. Our work may enhance the application of the exact calculation on recursive lattices in various fields of materials science and applied physics, especially it may serve as a powerful tool to explore the cross-dimensional thermodynamics and phase transitions. National Natural Science Foundation of China (Grant No. 11505110).

  7. Exact diagonalization of quantum lattice models on coprocessors

    NASA Astrophysics Data System (ADS)

    Siro, T.; Harju, A.

    2016-10-01

    We implement the Lanczos algorithm on an Intel Xeon Phi coprocessor and compare its performance to a multi-core Intel Xeon CPU and an NVIDIA graphics processor. The Xeon and the Xeon Phi are parallelized with OpenMP and the graphics processor is programmed with CUDA. The performance is evaluated by measuring the execution time of a single step in the Lanczos algorithm. We study two quantum lattice models with different particle numbers, and conclude that for small systems, the multi-core CPU is the fastest platform, while for large systems, the graphics processor is the clear winner, reaching speedups of up to 7.6 compared to the CPU. The Xeon Phi outperforms the CPU with sufficiently large particle number, reaching a speedup of 2.5.

  8. A novel lattice traffic flow model on a curved road

    NASA Astrophysics Data System (ADS)

    Cao, Jin-Liang; Shi, Zhon-Ke

    2015-03-01

    Due to the existence of curved roads in real traffic situation, a novel lattice traffic flow model on a curved road is proposed by taking the effect of friction coefficient and radius into account. The stability condition is obtained by using linear stability theory. The result shows that the traffic flow becomes stable with the decrease of friction coefficient and radius of the curved road. Using nonlinear analysis method, the Korteweg-de Vries (KdV) and modified Korteweg-de Vries (mKdV) equation are derived to describe soliton waves and the kink-antikink waves in the meta-stable region and unstable region, respectively. Numerical simulations are carried out and the results are consistent with the theoretical results.

  9. Simulating the Wess-Zumino Supersymmetry Model in Optical Lattices

    SciTech Connect

    Yu Yue; Yang Kun

    2010-10-08

    We study a cold atom-molecule mixture in two-dimensional optical lattices. We show that, by fine-tuning the atomic and molecular interactions, the Wess-Zumino supersymmetry (SUSY) model in 2+1 dimensions emerges in the low-energy limit and can be simulated in such mixtures. At zero temperature, SUSY is not spontaneously broken, which implies identical relativistic dispersions of the atom and its superpartner, a bosonic diatom molecule. This defining signature of SUSY can be probed by single-particle spectroscopies. Thermal breaking of SUSY at a finite temperature is accompanied by a thermal Goldstone fermion, i.e., phonino excitation. This and other signatures of broken SUSY can also be probed experimentally.

  10. Implementing the lattice Boltzmann model on commodity graphics hardware

    NASA Astrophysics Data System (ADS)

    Kaufman, Arie; Fan, Zhe; Petkov, Kaloian

    2009-06-01

    Modern graphics processing units (GPUs) can perform general-purpose computations in addition to the native specialized graphics operations. Due to the highly parallel nature of graphics processing, the GPU has evolved into a many-core coprocessor that supports high data parallelism. Its performance has been growing at a rate of squared Moore's law, and its peak floating point performance exceeds that of the CPU by an order of magnitude. Therefore, it is a viable platform for time-sensitive and computationally intensive applications. The lattice Boltzmann model (LBM) computations are carried out via linear operations at discrete lattice sites, which can be implemented efficiently using a GPU-based architecture. Our simulations produce results comparable to the CPU version while improving performance by an order of magnitude. We have demonstrated that the GPU is well suited for interactive simulations in many applications, including simulating fire, smoke, lightweight objects in wind, jellyfish swimming in water, and heat shimmering and mirage (using the hybrid thermal LBM). We further advocate the use of a GPU cluster for large scale LBM simulations and for high performance computing. The Stony Brook Visual Computing Cluster has been the platform for several applications, including simulations of real-time plume dispersion in complex urban environments and thermal fluid dynamics in a pressurized water reactor. Major GPU vendors have been targeting the high performance computing market with GPU hardware implementations. Software toolkits such as NVIDIA CUDA provide a convenient development platform that abstracts the GPU and allows access to its underlying stream computing architecture. However, software programming for a GPU cluster remains a challenging task. We have therefore developed the Zippy framework to simplify GPU cluster programming. Zippy is based on global arrays combined with the stream programming model and it hides the low-level details of the

  11. The ALPS Project: Open Source Software for Quantum Lattice Models

    NASA Astrophysics Data System (ADS)

    Trebst, Simon

    2004-03-01

    Algorithms for the simulation of strongly correlated quantum lattice models have matured and there is increasing demand for reliable simulation results both from theoreticians to test ideas and from experimental researchers as means of data analysis. Unlike in other fields there have been no "community codes" available, with the computational experts writing individual codes, adjusting them for specific needs of new projects and thereby investing weeks to months in software development for each project. We will present experiences with the ALPS collaboration, an open source effort aiming at simplifying the development of simulation codes for strongly correlated classical and quantum lattice models. It provides powerful but generic libraries and open-source application programs (such as classical and quantum Monte Carlo, exact diagonalization, DMRG, and others), intended also for non-experts. We will especially address three topics that are of relevance also to other similar efforts: license issues have been extensively discussed, especially concerning the scientific return of making source codes available to the community. The ALPS license is a compromise ensuring scientific return by requesting citations to the original authors of the codes while making sources openly available for future developments. The coordination of an international collaboration with researchers contributing from Austria, France, Germany, Japan and Switzerland by intense developer workshops on a semi-annual basis and annual user workshops is discussed. The situation for funding needed for such a joint open source development effort, which is often classified more as an infrastructure project and less as a research project, is also addressed. Work done with the ALPS collaboration initiated by M. Troyer (ETH) and S. Todo (Tokyo). For details and a list of members see http://alps.comp-phys.org/

  12. A new approach for modelling lattice energy in finite crystal domains

    NASA Astrophysics Data System (ADS)

    Bilotsky, Y.; Gasik, M.

    2015-09-01

    Evaluation of internal energy in a crystal lattice requires precise calculation of lattice sums. Such evaluation is a problem in the case of small (nano) particles because the traditional methods are usually effective only for infinite lattices and are adapted to certain specific potentials. In this work, a new method has been developed for calculation of lattice energy. The method is a generalisation of conventional geometric probability techniques for arbitrary fixed lattices in a finite crystal domain. In our model, the lattice energy for wide range of two- body central interaction potentials (including long-range Coulomb potential) has been constructed using absolutely convergent sums. No artificial cut-off potential or periodical extension of the domain (which usually involved for such calculations) have been made for calculation of the lattice energy under this approach. To exemplify the applications of these techniques, the energy of Coulomb potential has been plotted as the function of the domain size.

  13. Critical phenomena in the majority voter model on two-dimensional regular lattices.

    PubMed

    Acuña-Lara, Ana L; Sastre, Francisco; Vargas-Arriola, José Raúl

    2014-05-01

    In this work we studied the critical behavior of the critical point as a function of the number of nearest neighbors on two-dimensional regular lattices. We performed numerical simulations on triangular, hexagonal, and bilayer square lattices. Using standard finite-size scaling theory we found that all cases fall in the two-dimensional Ising model universality class, but that the critical point value for the bilayer lattice does not follow the regular tendency that the Ising model shows.

  14. Micropolar dissipative models for the analysis of 2D dispersive waves in periodic lattices

    NASA Astrophysics Data System (ADS)

    Reda, H.; Ganghoffer, J. F.; Lakiss, H.

    2017-03-01

    The computation of the dispersion relations for dissipative periodic lattices having the attributes of metamaterials is an actual research topic raising the interest of researchers in the field of acoustics and wave propagation phenomena. We analyze in this contribution the impact of wave damping on the dispersion features of periodic lattices, which are modeled as beam-lattices. The band diagram structure and damping ratio are computed for different repetitive lattices, based on the homogenized continuum response of the initially discrete lattice architecture, modeled as Kelvin-Voigt viscoelastic beams. Three of these lattices (reentrant hexagonal, chiral diamond, hexachiral lattice) are auxetic metamaterials, since they show negative Poisson's ratio. The effective viscoelastic anisotropic continuum behavior of the lattices is first computed in terms of the homogenized stiffness and viscosity matrices, based on the discrete homogenization technique. The dynamical equations of motion are obtained for an equivalent homogenized micropolar continuum evaluated based on the homogenized properties, and the dispersion relation and damping ratio are obtained by inserting an harmonic plane waves Ansatz into these equations. The comparison of the acoustic properties obtained in the low frequency range for the four considered lattices shows that auxetic lattices attenuate waves at lower frequencies compared to the classical hexagonal lattice. The diamond chiral lattice shows the best attenuation properties of harmonic waves over the entire Brillouin zone, and the hexachiral lattice presents better acoustic properties than the reentrant hexagonal lattice. The range of validity of the effective continuum obtained by the discrete homogenization has been assessed by comparing the frequency band structure of this continuum with that obtained by a Floquet-Bloch analysis.

  15. Thermal multicomponent lattice Boltzmann model for catalytic reactive flows.

    PubMed

    Kang, Jinfen; Prasianakis, Nikolaos I; Mantzaras, John

    2014-06-01

    Catalytic reactions are of great interest in many applications related to power generation, fuel reforming and pollutant abatement, as well as in various biochemical processes. A recently proposed lattice Boltzmann model for thermal binary-mixture gas flows [J. Kang, N. I. Prasianakis, and J. Mantzaras, Phys. Rev. E. 87, 053304 (2013)] is revisited and extended for the simulation of multispecies flows with catalytic reactions. The resulting model can handle flows with large temperature and concentration gradients. The developed model is presented in detail and validated against a finite volume Navier-Stokes solver in the case of channel-flow methane catalytic combustion. The surface chemistry is treated with a one-step global reaction for the catalytic total oxidation of methane on platinum. In order to take into account thermal effects, the catalytic boundary condition of S. Arcidiacono, J. Mantzaras, and I. V. Karlin [Phys. Rev. E 78, 046711 (2008)] is adapted to account for temperature variations. Speed of sound simulations further demonstrate the physical integrity and unique features of the model.

  16. Study of hydrodynamic instabilities with a multiphase lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Velasco, Ali Mauricio; Muñoz, José Daniel

    2015-10-01

    Rayleigh-Taylor and Kelvin-Helmholtz hydrodynamic instabilities are frequent in many natural and industrial processes, but their numerical simulation is not an easy challenge. This work simulates both instabilities by using a lattice Boltzmann model on multiphase fluids at a liquid-vapour interface, instead of multicomponent systems like the oil-water one. The model, proposed by He, Chen and Zhang (1999) [1] was modified to increase the precision by computing the pressure gradients with a higher order, as proposed by McCracken and Abraham (2005) [2]. The resulting model correctly simulates both instabilities by using almost the same parameter set. It also reproduces the relation γ ∝√{ A} between the growing rate γ of the Rayleigh-Taylor instability and the relative density difference between the fluids (known as the Atwood number A), but including also deviations observed in experiments at low density differences. The results show that the implemented model is a useful tool for the study of hydrodynamic instabilities, drawing a sharp interface and exhibiting numerical stability for moderately high Reynolds numbers.

  17. Normally attracting manifolds and periodic behavior in one-dimensional and two-dimensional coupled map lattices

    NASA Astrophysics Data System (ADS)

    Giberti, Claudio; Vernia, Cecilia

    1994-12-01

    We consider diffusively coupled logistic maps in one- and two-dimensional lattices. We investigate periodic behaviors as the coupling parameter varies, i.e., existence and bifurcations of some periodic orbits with the largest domain of attraction. Similarity and differences between the two lattices are shown. For small coupling the periodic behavior appears to be characterized by a number of periodic orbits structured in such a way to give rise to distinct, reverse period-doubling sequences. For intermediate values of the coupling a prominent role in the dynamics is played by the presence of normally attracting manifolds that contain periodic orbits. The dynamics on these manifolds is very weakly hyperbolic, which implies long transients. A detailed investigation allows the understanding of the mechanism of their formation. A complex bifurcation is found which causes an attracting manifold to become unstable.

  18. Monte Carlo tests of nucleation concepts in the lattice gas model

    NASA Astrophysics Data System (ADS)

    Schmitz, Fabian; Virnau, Peter; Binder, Kurt

    2013-05-01

    The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice. The theory considers the nucleation process as a slow (quasistatic) cluster (droplet) growth over a free energy barrier ΔF*, constructed in terms of a balance of surface and bulk term of a critical droplet of radius R*, implying that the rates of droplet growth and shrinking essentially balance each other for droplet radius R=R*. For heterogeneous nucleation at surfaces, the barrier is reduced by a factor depending on the contact angle. Using the definition of physical clusters based on the Fortuin-Kasteleyn mapping, the time dependence of the cluster size distribution is studied for quenching experiments in the kinetic Ising model and the cluster size ℓ* where the cluster growth rate changes sign is estimated. These studies of nucleation kinetics are compared to studies where the relation between cluster size and supersaturation is estimated from equilibrium simulations of phase coexistence between droplet and vapor in the canonical ensemble. The chemical potential is estimated from a lattice version of the Widom particle insertion method. For large droplets it is shown that the physical clusters have a volume consistent with the estimates from the lever rule. Geometrical clusters (defined such that each site belonging to the cluster is occupied and has at least one occupied neighbor site) yield valid results only for temperatures less than 60% of the critical temperature, where the cluster shape is nonspherical. We show how the chemical potential can be used to numerically estimate ΔF* also for nonspherical cluster shapes.

  19. Phase diagram of the lattice G2 Higgs model

    NASA Astrophysics Data System (ADS)

    Wellegehausen, Björn H.; Wipf, Andreas; Wozar, Christian

    2011-06-01

    We study the phases and phase transition lines of the finite temperature G2 Higgs model. Our work is based on an efficient local hybrid Monte-Carlo algorithm which allows for accurate measurements of expectation values, histograms, and susceptibilities. On smaller lattices we calculate the phase diagram in terms of the inverse gauge coupling β and the hopping parameter κ. For κ→0 the model reduces to G2 gluodynamics and for κ→∞ to SU(3) gluodynamics. In both limits the system shows a first order confinement-deconfinement transition. We show that the first order transitions at asymptotic values of the hopping parameter are almost joined by a line of first order transitions. A careful analysis reveals that there exists a small gap in the line where the first order transitions turn into continuous transitions or a crossover region. For β→∞ the gauge degrees of freedom are frozen and one finds a nonlinear O(7) sigma model which exhibits a second order transition from a massive O(7) symmetric to a massless O(6) symmetric phase. The corresponding second order line for large β remains second order for intermediate β until it comes close to the gap between the two first order lines. Besides this second order line and the first order confinement-deconfinement transitions we find a line of monopole-driven bulk transitions which do not interfere with the confinement-deconfinment transitions.

  20. Trace map and eigenstates of a Thue-Morse chain in a general model

    NASA Astrophysics Data System (ADS)

    Cheng, Sheng-Feng; Jin, Guo-Jun

    2002-04-01

    By the standard method proposed by Kolar and Nori [Phys. Rev. B 42, 1062 (1990)], a rigorous eight-dimensional (8D) trace map for a general model of Thue-Morse (TM) sequences is obtained. Using this trace map, the characteristics of electronic eigenstates in TM lattices are explored in a very broad way. Simultaneously, a constraint condition for energy parameters, under which the complex 8D trace map can be simplified into the ordinary form, is found. It is also proved analytically that all eigenstates of TM lattices are extended when this constraint conditon is fulfilled. Furthermore, the properties of eigenstates beyond this constraint are investigated and some wave functions with critical features are discovered by the multifractal analysis. Our results support the previous viewpoint that a TM lattice is an intermediate stage between periodic and Fibonacci structures.

  1. On the characterization and software implementation of general protein lattice models.

    PubMed

    Bechini, Alessio

    2013-01-01

    models of proteins have been widely used as a practical means to computationally investigate general properties of the system. In lattice models any sterically feasible conformation is represented as a self-avoiding walk on a lattice, and residue types are limited in number. So far, only two- or three-dimensional lattices have been used. The inspection of the neighborhood of alpha carbons in the core of real proteins reveals that also lattices with higher coordination numbers, possibly in higher dimensional spaces, can be adopted. In this paper, a new general parametric lattice model for simplified protein conformations is proposed and investigated. It is shown how the supporting software can be consistently designed to let algorithms that operate on protein structures be implemented in a lattice-agnostic way. The necessary theoretical foundations are developed and organically presented, pinpointing the role of the concept of main directions in lattice-agnostic model handling. Subsequently, the model features across dimensions and lattice types are explored in tests performed on benchmark protein sequences, using a Python implementation. Simulations give insights on the use of square and triangular lattices in a range of dimensions. The trend of potential minimum for sequences of different lengths, varying the lattice dimension, is uncovered. Moreover, an extensive quantitative characterization of the usage of the so-called "move types" is reported for the first time. The proposed general framework for the development of lattice models is simple yet complete, and an object-oriented architecture can be proficiently employed for the supporting software, by designing ad-hoc classes. The proposed framework represents a new general viewpoint that potentially subsumes a number of solutions previously studied. The adoption of the described model pushes to look at protein structure issues from a more general and essential perspective, making computational investigations

  2. On the Characterization and Software Implementation of General Protein Lattice Models

    PubMed Central

    Bechini, Alessio

    2013-01-01

    Abstract models of proteins have been widely used as a practical means to computationally investigate general properties of the system. In lattice models any sterically feasible conformation is represented as a self-avoiding walk on a lattice, and residue types are limited in number. So far, only two- or three-dimensional lattices have been used. The inspection of the neighborhood of alpha carbons in the core of real proteins reveals that also lattices with higher coordination numbers, possibly in higher dimensional spaces, can be adopted. In this paper, a new general parametric lattice model for simplified protein conformations is proposed and investigated. It is shown how the supporting software can be consistently designed to let algorithms that operate on protein structures be implemented in a lattice-agnostic way. The necessary theoretical foundations are developed and organically presented, pinpointing the role of the concept of main directions in lattice-agnostic model handling. Subsequently, the model features across dimensions and lattice types are explored in tests performed on benchmark protein sequences, using a Python implementation. Simulations give insights on the use of square and triangular lattices in a range of dimensions. The trend of potential minimum for sequences of different lengths, varying the lattice dimension, is uncovered. Moreover, an extensive quantitative characterization of the usage of the so-called “move types” is reported for the first time. The proposed general framework for the development of lattice models is simple yet complete, and an object-oriented architecture can be proficiently employed for the supporting software, by designing ad-hoc classes. The proposed framework represents a new general viewpoint that potentially subsumes a number of solutions previously studied. The adoption of the described model pushes to look at protein structure issues from a more general and essential perspective, making computational

  3. Efficient algorithm for computing exact partition functions of lattice polymer models

    NASA Astrophysics Data System (ADS)

    Hsieh, Yu-Hsin; Chen, Chi-Ning; Hu, Chin-Kun

    2016-12-01

    Polymers are important macromolecules in many physical, chemical, biological and industrial problems. Studies on simple lattice polymer models are very helpful for understanding behaviors of polymers. We develop an efficient algorithm for computing exact partition functions of lattice polymer models, and we use this algorithm and personal computers to obtain exact partition functions of the interacting self-avoiding walks with N monomers on the simple cubic lattice up to N = 28 and on the square lattice up to N = 40. Our algorithm can be extended to study other lattice polymer models, such as the HP model for protein folding and the charged HP model for protein aggregation. It also provides references for checking accuracy of numerical partition functions obtained by simulations.

  4. Lattice Boltzmann modeling of directional wetting: Comparing simulations to experiments

    NASA Astrophysics Data System (ADS)

    Jansen, H. Patrick; Sotthewes, Kai; van Swigchem, Jeroen; Zandvliet, Harold J. W.; Kooij, E. Stefan

    2013-07-01

    Lattice Boltzmann Modeling (LBM) simulations were performed on the dynamic behavior of liquid droplets on chemically striped patterned surfaces, ultimately with the aim to develop a predictive tool enabling reliable design of future experiments. The simulations accurately mimic experimental results, which have shown that water droplets on such surfaces adopt an elongated shape due to anisotropic preferential spreading. Details of the contact line motion such as advancing of the contact line in the direction perpendicular to the stripes exhibit pronounced similarities in experiments and simulations. The opposite of spreading, i.e., evaporation of water droplets, leads to a characteristic receding motion first in the direction parallel to the stripes, while the contact line remains pinned perpendicular to the stripes. Only when the aspect ratio is close to unity, the contact line also starts to recede in the perpendicular direction. Very similar behavior was observed in the LBM simulations. Finally, droplet movement can be induced by a gradient in surface wettability. LBM simulations show good semiquantitative agreement with experimental results of decanol droplets on a well-defined striped gradient, which move from high- to low-contact angle surfaces. Similarities and differences for all systems are described and discussed in terms of the predictive capabilities of LBM simulations to model direction wetting.

  5. Lattice Boltzmann modeling of directional wetting: comparing simulations to experiments.

    PubMed

    Jansen, H Patrick; Sotthewes, Kai; van Swigchem, Jeroen; Zandvliet, Harold J W; Kooij, E Stefan

    2013-07-01

    Lattice Boltzmann Modeling (LBM) simulations were performed on the dynamic behavior of liquid droplets on chemically striped patterned surfaces, ultimately with the aim to develop a predictive tool enabling reliable design of future experiments. The simulations accurately mimic experimental results, which have shown that water droplets on such surfaces adopt an elongated shape due to anisotropic preferential spreading. Details of the contact line motion such as advancing of the contact line in the direction perpendicular to the stripes exhibit pronounced similarities in experiments and simulations. The opposite of spreading, i.e., evaporation of water droplets, leads to a characteristic receding motion first in the direction parallel to the stripes, while the contact line remains pinned perpendicular to the stripes. Only when the aspect ratio is close to unity, the contact line also starts to recede in the perpendicular direction. Very similar behavior was observed in the LBM simulations. Finally, droplet movement can be induced by a gradient in surface wettability. LBM simulations show good semiquantitative agreement with experimental results of decanol droplets on a well-defined striped gradient, which move from high- to low-contact angle surfaces. Similarities and differences for all systems are described and discussed in terms of the predictive capabilities of LBM simulations to model direction wetting.

  6. A lattice-Boltzman model for noble gas diffusion

    NASA Astrophysics Data System (ADS)

    Cassata, W. S.; Huber, C.; Renne, P. R.

    2010-12-01

    Thermochronometry by the 40Ar/39Ar, 4He/3He, and (U-Th)/He techniques provides insights into a array of planetary processes that span immense time and temperature regimes, from rapid and high temperature asteroid impact events to mountain uplift occurring over plate tectonic timescales at near surface temperatures. Thermal modeling has expanded from simple calculations for quantifying diffusion from a single spherical domain or log normal distributions of domains to include crystals having discrete domain distributions, fast diffusion pathways, diffusive anisotropy, complex crystal geometries, alpha damage, and alpha ejection. Despite these advances, our understanding of diffusion within crystals that have complex microstructural features (e.g., exsolution and diffusive sinks) or highly asymmetric concentration gradients remains fragmentary. Improved computational speeds now enable thermochronologists to quantitatively explore many such problems. We have developed a code based on the lattice-Boltzmann (LB) method to model diffusion from a variety of complex 2-D geometries having isotropic, temperature-independent anisotropic, and temperature-dependent anisotropic diffusivity. We utilize the LB diffusion code to examine the effects of non-zero concentration boundaries, fast diffusion pathways, diffusive sinks, exsolution lamellae, asymmetrical concentration distributions, and temperature gradients on calculated diffusion parameters, age data, and inferred thermal histories. Animations and geological examples illustrate the applicability of the code to natural settings.

  7. Nanoscale air bearing modeling via lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Kim, Woo Tae; Jhon, Myung S.; Zhou, Yong; Staroselsky, Ilya; Chen, Hudong

    2005-05-01

    As spacing between the two solid surfaces in operating condition becomes much smaller than the mean free path of the air, continuum-based Navier-Stokes equation is no longer valid and one has to use a modified Reynolds equation (MRE) in simulating high Knudsen number air bearing. This MRE, which stems from the linearized Boltzmann transport equation with Bhatnagar-Gross-Krook approximation via the appropriate choice of the boundary condition, has the advantages of calculating the pressure distribution in a nanoscale confined gaseous system. In this paper, we provide a methodology based on the lattice Boltzmann method (LBM), which could enhance the computational capability of nanoscale confined gaseous system by calculating both velocity and pressure fields simultaneously. The advantage of transient and parallel nature makes this LBM an attractive tool for the next generation air bearing design. Furthermore, LBM is suitable for hybridization with lubricant morphology as well as multiscale modeling including entire disk flow analysis. We demonstrate the feasibility of this LBM by using first-order slip model as a case study. Hybridization with database established by Kang et al. [S.-C. Kang, R. M. Crone, and M. S. Jhon, J. Appl. Phys. 85, 5594 (1999)] can be performed via the similar procedure reported here to develop the state-of-the-art slider design software.

  8. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion

    NASA Astrophysics Data System (ADS)

    Xu, Aiguo; Lin, Chuandong; Zhang, Guangcai; Li, Yingjun

    2015-04-01

    To probe both the hydrodynamic nonequilibrium (HNE) and thermodynamic nonequilibrium (TNE) in the combustion process, a two-dimensional multiple-relaxation-time (MRT) version of lattice Boltzmann kinetic model (LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. Aside from describing the evolutions of the conserved quantities, the density, momentum, and energy, which are what the Navier-Stokes model describes, the MRT-LBKM presents also a coarse-grained description on the evolutions of some nonconserved quantities. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model, both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. The model is verified and validated via well-known benchmark tests. As an initial application, various nonequilibrium behaviors, including the complex interplays between various HNEs, between various TNEs, and between the HNE and TNE, around the detonation wave in the unsteady and steady one-dimensional detonation processes are preliminarily probed. It is found that the system viscosity (or heat conductivity) decreases the local TNE, but increases the global TNE around the detonation wave, that even locally, the system viscosity (or heat conductivity) results in two kinds of competing trends, to increase and to decrease the TNE effects. The physical reason is that the viscosity (or heat conductivity) takes part in both the thermodynamic and hydrodynamic responses.

  9. Polar-coordinate lattice Boltzmann modeling of compressible flows.

    PubMed

    Lin, Chuandong; Xu, Aiguo; Zhang, Guangcai; Li, Yingjun; Succi, Sauro

    2014-01-01

    We present a polar coordinate lattice Boltzmann kinetic model for compressible flows. A method to recover the continuum distribution function from the discrete distribution function is indicated. Within the model, a hybrid scheme being similar to, but different from, the operator splitting is proposed. The temporal evolution is calculated analytically, and the convection term is solved via a modified Warming-Beam (MWB) scheme. Within the MWB scheme a suitable switch function is introduced. The current model works not only for subsonic flows but also for supersonic flows. It is validated and verified via the following well-known benchmark tests: (i) the rotational flow, (ii) the stable shock tube problem, (iii) the Richtmyer-Meshkov (RM) instability, and (iv) the Kelvin-Helmholtz instability. As an original application, we studied the nonequilibrium characteristics of the system around three kinds of interfaces, the shock wave, the rarefaction wave, and the material interface, for two specific cases. In one of the two cases, the material interface is initially perturbed, and consequently the RM instability occurs. It is found that the macroscopic effects due to deviating from thermodynamic equilibrium around the material interface differ significantly from those around the mechanical interfaces. The initial perturbation at the material interface enhances the coupling of molecular motions in different degrees of freedom. The amplitude of deviation from thermodynamic equilibrium around the shock wave is much higher than those around the rarefaction wave and material interface. By comparing each component of the high-order moments and its value in equilibrium, we can draw qualitatively the main behavior of the actual distribution function. These results deepen our understanding of the mechanical and material interfaces from a more fundamental level, which is indicative for constructing macroscopic models and other kinds of kinetic models.

  10. Multiple-relaxation-time lattice Boltzmann kinetic model for combustion.

    PubMed

    Xu, Aiguo; Lin, Chuandong; Zhang, Guangcai; Li, Yingjun

    2015-04-01

    To probe both the hydrodynamic nonequilibrium (HNE) and thermodynamic nonequilibrium (TNE) in the combustion process, a two-dimensional multiple-relaxation-time (MRT) version of lattice Boltzmann kinetic model (LBKM) for combustion phenomena is presented. The chemical energy released in the progress of combustion is dynamically coupled into the system by adding a chemical term to the LB kinetic equation. Aside from describing the evolutions of the conserved quantities, the density, momentum, and energy, which are what the Navier-Stokes model describes, the MRT-LBKM presents also a coarse-grained description on the evolutions of some nonconserved quantities. The current model works for both subsonic and supersonic flows with or without chemical reaction. In this model, both the specific-heat ratio and the Prandtl number are flexible, the TNE effects are naturally presented in each simulation step. The model is verified and validated via well-known benchmark tests. As an initial application, various nonequilibrium behaviors, including the complex interplays between various HNEs, between various TNEs, and between the HNE and TNE, around the detonation wave in the unsteady and steady one-dimensional detonation processes are preliminarily probed. It is found that the system viscosity (or heat conductivity) decreases the local TNE, but increases the global TNE around the detonation wave, that even locally, the system viscosity (or heat conductivity) results in two kinds of competing trends, to increase and to decrease the TNE effects. The physical reason is that the viscosity (or heat conductivity) takes part in both the thermodynamic and hydrodynamic responses.

  11. Modeling Research Project Risks with Fuzzy Maps

    ERIC Educational Resources Information Center

    Bodea, Constanta Nicoleta; Dascalu, Mariana Iuliana

    2009-01-01

    The authors propose a risks evaluation model for research projects. The model is based on fuzzy inference. The knowledge base for fuzzy process is built with a causal and cognitive map of risks. The map was especially developed for research projects, taken into account their typical lifecycle. The model was applied to an e-testing research…

  12. Lattice-free models of cell invasion: discrete simulations and travelling waves.

    PubMed

    Plank, Michael J; Simpson, Matthew J

    2013-11-01

    Invasion waves of cells play an important role in development, disease, and repair. Standard discrete models of such processes typically involve simulating cell motility, cell proliferation, and cell-to-cell crowding effects in a lattice-based framework. The continuum-limit description is often given by a reaction-diffusion equation that is related to the Fisher-Kolmogorov equation. One of the limitations of a standard lattice-based approach is that real cells move and proliferate in continuous space and are not restricted to a predefined lattice structure. We present a lattice-free model of cell motility and proliferation, with cell-to-cell crowding effects, and we use the model to replicate invasion wave-type behaviour. The continuum-limit description of the discrete model is a reaction-diffusion equation with a proliferation term that is different from lattice-based models. Comparing lattice-based and lattice-free simulations indicates that both models lead to invasion fronts that are similar at the leading edge, where the cell density is low. Conversely, the two models make different predictions in the high-density region of the domain, well behind the leading edge. We analyse the continuum-limit description of the lattice-based and lattice-free models to show that both give rise to invasion wave type solutions that move with the same speed but have very different shapes. We explore the significance of these differences by calibrating the parameters in the standard Fisher-Kolmogorov equation using data from the lattice-free model. We conclude that estimating parameters using this kind of standard procedure can produce misleading results.

  13. Some issues in data model mapping

    NASA Technical Reports Server (NTRS)

    Dominick, Wayne D. (Editor); Alsabbagh, Jamal R.

    1985-01-01

    Numerous data models have been reported in the literature since the early 1970's. They have been used as database interfaces and as conceptual design tools. The mapping between schemas expressed according to the same data model or according to different models is interesting for theoretical and practical purposes. This paper addresses some of the issues involved in such a mapping. Of special interest are the identification of the mapping parameters and some current approaches for handling the various situations that require a mapping.

  14. Study of the Antiferromagnetic Blume-Capel Model on kagomé Lattice

    NASA Astrophysics Data System (ADS)

    Hwang, Chi-Ok; Park, Sojeong; Kwak, Wooseop

    2016-09-01

    We study the anti-ferromagnetic (AF) Ising model and the AF Blume-Capel (BC) model on the kagomé lattice. Using the Wang-Landau sampling method, we estimate the joint density functions for both models on the lattice, and we obtain the exact critical magnetic fields at zero temperature by using the micro-canonical analysis. We also show the patterns of critical lines for the models from micro-canonical analysis.

  15. NEO: Systematic Non-Lattice Embedding of Ontologies for Comparing the Subsumption Relationship in SNOMED CT and in FMA Using MapReduce.

    PubMed

    Zhu, Wei; Zhang, Guo-Qiang; Tao, Shiqiang; Sun, Mengmeng; Cui, Licong

    2015-01-01

    A structural disparity of the subsumption relationship between FMA and SNOMED CT's Body Structure sub-hierarchy is that while the is-a relation in FMA has a tree structure, the corresponding relation in Body Structure is not even a lattice. This paper introduces a method called NEO, for non-lattice embedding of FMA fragments into the Body Structure sub-hierarchy to understand (1) this structural disparity, and (2) its potential utility in analyzing non-lattice fragments in SNOMED CT. NEO consists of four steps. First, transitive, upper- and down-closures are computed for FMA and SNOMED CT using MapReduce, a modern scalable distributed computing technique. Secondly, UMLS mappings between FMA and SNOMED CT concepts are used to identify equivalent concepts in non-lattice fragments from Body Structure. Then, non-lattice fragments in the Body Structure sub-hierarchy are extracted, and FMA concepts matching those in the non-lattice fragments are used as the seeds to generate the corresponding FMA fragments. Lastly, the corresponding FMA fragments are embedded to the non-lattice fragments for comparative visualization and analysis. After identifying 8,428 equivalent concepts between the collection of over 30,000 concepts in Body Structure and the collection of over 83,000 concepts in FMA using UMLS equivalent concept mappings, 2,117 shared is-a relations and 5,715 mismatched relations were found. Among Body Structure's 90,465 non-lattice fragments, 65,968 (73%) contained one or more is-a relations that are in SNOMED CT but not in FMA, even though they have equivalent source and target concepts. This shows that SNOMED CT may be more liberal in classifying a relation as is-a, a potential explanation for the fragments not conforming to the lattice property.

  16. NEO: Systematic Non-Lattice Embedding of Ontologies for Comparing the Subsumption Relationship in SNOMED CT and in FMA Using MapReduce

    PubMed Central

    Zhu, Wei; Zhang, Guo-Qiang; Tao, Shiqiang; Sun, Mengmeng; Cui, Licong

    2015-01-01

    A structural disparity of the subsumption relationship between FMA and SNOMED CT’s Body Structure sub-hierarchy is that while the is-a relation in FMA has a tree structure, the corresponding relation in Body Structure is not even a lattice. This paper introduces a method called NEO, for non-lattice embedding of FMA fragments into the Body Structure sub-hierarchy to understand (1) this structural disparity, and (2) its potential utility in analyzing non-lattice fragments in SNOMED CT. NEO consists of four steps. First, transitive, upper- and down-closures are computed for FMA and SNOMED CT using MapReduce, a modern scalable distributed computing technique. Secondly, UMLS mappings between FMA and SNOMED CT concepts are used to identify equivalent concepts in non-lattice fragments from Body Structure. Then, non-lattice fragments in the Body Structure sub-hierarchy are extracted, and FMA concepts matching those in the non-lattice fragments are used as the seeds to generate the corresponding FMA fragments. Lastly, the corresponding FMA fragments are embedded to the non-lattice fragments for comparative visualization and analysis. After identifying 8,428 equivalent concepts between the collection of over 30,000 concepts in Body Structure and the collection of over 83,000 concepts in FMA using UMLS equivalent concept mappings, 2,117 shared is-a relations and 5,715 mismatched relations were found. Among Body Structure’s 90,465 non-lattice fragments, 65,968 (73%) contained one or more is-a relations that are in SNOMED CT but not in FMA, even though they have equivalent source and target concepts. This shows that SNOMED CT may be more liberal in classifying a relation as is-a, a potential explanation for the fragments not conforming to the lattice property. PMID:26306275

  17. A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures.

    PubMed

    Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A; Huang, Yonggang; Zhang, Yihui

    2016-05-01

    Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for

  18. A nonlinear mechanics model of bio-inspired hierarchical lattice materials consisting of horseshoe microstructures

    NASA Astrophysics Data System (ADS)

    Ma, Qiang; Cheng, Huanyu; Jang, Kyung-In; Luan, Haiwen; Hwang, Keh-Chih; Rogers, John A.; Huang, Yonggang; Zhang, Yihui

    2016-05-01

    Development of advanced synthetic materials that can mimic the mechanical properties of non-mineralized soft biological materials has important implications in a wide range of technologies. Hierarchical lattice materials constructed with horseshoe microstructures belong to this class of bio-inspired synthetic materials, where the mechanical responses can be tailored to match the nonlinear J-shaped stress-strain curves of human skins. The underlying relations between the J-shaped stress-strain curves and their microstructure geometry are essential in designing such systems for targeted applications. Here, a theoretical model of this type of hierarchical lattice material is developed by combining a finite deformation constitutive relation of the building block (i.e., horseshoe microstructure), with the analyses of equilibrium and deformation compatibility in the periodical lattices. The nonlinear J-shaped stress-strain curves and Poisson ratios predicted by this model agree very well with results of finite element analyses (FEA) and experiment. Based on this model, analytic solutions were obtained for some key mechanical quantities, e.g., elastic modulus, Poisson ratio, peak modulus, and critical strain around which the tangent modulus increases rapidly. A negative Poisson effect is revealed in the hierarchical lattice with triangular topology, as opposed to a positive Poisson effect in hierarchical lattices with Kagome and honeycomb topologies. The lattice topology is also found to have a strong influence on the stress-strain curve. For the three isotropic lattice topologies (triangular, Kagome and honeycomb), the hierarchical triangular lattice material renders the sharpest transition in the stress-strain curve and relative high stretchability, given the same porosity and arc angle of horseshoe microstructure. Furthermore, a demonstrative example illustrates the utility of the developed model in the rapid optimization of hierarchical lattice materials for

  19. Lattice Discrete Particle Model (LDPM) for Failure Behavior of Concrete. 1: Theory (PREPRINT)

    DTIC Science & Technology

    2010-12-18

    Lattice Discrete Particle Model (LDPM) for Failure Behavior of Concrete. I: Theory . By Gianluca Cusatis 1, Daniele Pelessone 2, Andrea Mencarelli 3...Lattice Discrete Particle Model (LDPM) For Failure Behavior Of Concrete. I: Theory 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6...proposing new multiscale theories have flourished, especially for modeling nano-composite materials and atomistic and molecular systems [23]. The same kind

  20. Complete Galilean-Invariant Lattice BGK Models for the Navier-Stokes Equation

    NASA Technical Reports Server (NTRS)

    Qian, Yue-Hong; Zhou, Ye

    1998-01-01

    Galilean invariance has been an important issue in lattice-based hydrodynamics models. Previous models concentrated on the nonlinear advection term. In this paper, we take into account the nonlinear response effect in a systematic way. Using the Chapman-Enskog expansion up to second order, complete Galilean invariant lattice BGK models in one dimension (theta = 3) and two dimensions (theta = 1) for the Navier-Stokes equation have been obtained.

  1. Finite-temperature transition of the antiferromagnetic Heisenberg model on a distorted kagome lattice.

    PubMed

    Masuda, Hiroshi; Okubo, Tsuyoshi; Kawamura, Hikaru

    2012-08-03

    Motivated by the recent experiment on kagome-lattice antiferromagnets, we study the zero-field ordering behavior of the antiferromagnetic classical Heisenberg model on a uniaxially distorted kagome lattice by Monte Carlo simulations. A first-order transition, which has no counterpart in the corresponding undistorted model, takes place at a very low temperature. The origin of the transition is ascribed to a cooperative proliferation of topological excitations inherent to the model.

  2. Cluster evolution and critical cluster sizes for the square and triangular lattice Ising models using lattice animals and Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Eising, G.; Kooi, B. J.

    2012-06-01

    Growth and decay of clusters at temperatures below Tc have been studied for a two-dimensional Ising model for both square and triangular lattices using Monte Carlo (MC) simulations and the enumeration of lattice animals. For the lattice animals, all unique cluster configurations with their internal bonds were identified up to 25 spins for the triangular lattice and up to 29 spins for the square lattice. From these configurations, the critical cluster sizes for nucleation have been determined based on two (thermodynamic) definitions. From the Monte Carlo simulations, the critical cluster size is also obtained by studying the decay and growth of inserted, most compact clusters of different sizes. A good agreement is found between the results from the MC simulations and one of the definitions of critical size used for the lattice animals at temperatures T > ˜0.4 Tc for the square lattice and T > ˜0.2 Tc for the triangular lattice (for the range of external fields H considered). At low temperatures (T ≈ 0.2 Tc for the square lattice and T ≈ 0.1 Tc for the triangular lattice), magic numbers are found in the size distributions during the MC simulations. However, these numbers are not present in the critical cluster sizes based on the MC simulations, as they are present for the lattice animal data. In order to achieve these magic numbers in the critical cluster sizes based on the MC simulation, the temperature has to be reduced further to T ≈ 0.15 Tc for the square lattice. The observed evolution of magic numbers as a function of temperature is rationalized in the present work.

  3. A modified double distribution lattice Boltzmann model for axisymmetric thermal flow

    NASA Astrophysics Data System (ADS)

    Wang, Zuo; Liu, Yan; Wang, Heng; Zhang, Jiazhong

    2017-04-01

    In this paper, a double distribution lattice Boltzmann model for axisymmetric thermal flow is proposed. In the model, the flow field is solved by a multi-relaxation-time lattice Boltzmann scheme while the temperature field by a newly proposed lattice-kinetic-based Boltzmann scheme. Chapman-Enskog analysis demonstrates that the axisymmetric energy equation in the cylindrical coordinate system can be recovered by the present lattice-kinetic-based Boltzmann scheme for temperature field. Numerical tests, including the thermal Hagen-Poiseuille flow and natural convection in a vertical annulus, have been carried out, and the results predicted by the present model agree well with the existing numerical data. Furthermore, the present model shows better numerical stability than the existing model.

  4. Thermodynamics of the O(3) model in 1+1 dimensions: lattice vs. analytical results

    NASA Astrophysics Data System (ADS)

    Seel, Elina; Smith, Dominik; Lottini, Stefano; Giacosa, Francesco

    2013-07-01

    A detailed study of the thermodynamics of the O( N = 3) model in 1+1 dimensions is presented, employing a two-particle-irreducible resummation prescription as well as fully nonperturbative finite-temperature lattice simulations. The analytical results are computed using the Cornwall-Jackiw-Tomboulis (CJT) formalism and the auxiliary field method to one- and to two-loop order. The lattice results are obtained through Monte Carlo simulation for various lattice spacings. The analytical and lattice results for pressure, trace anomaly, and energy density, resembling closely those of four-dimensional Yang-Mills theories, are compared with each other. We find that to one-loop order there is a good correspondence between the CJT formalism and the lattice study for low temperatures. However, at high T the two-loop calculation fares better, correcting for the overestimation from the former approximation.

  5. Molecular mobility with respect to accessible volume in Monte Carlo lattice model for polymers

    NASA Astrophysics Data System (ADS)

    Diani, J.; Gilormini, P.

    2017-02-01

    A three-dimensional cubic Monte Carlo lattice model is considered to test the impact of volume on the molecular mobility of amorphous polymers. Assuming classic polymer chain dynamics, the concept of locked volume limiting the accessible volume around the polymer chains is introduced. The polymer mobility is assessed by its ability to explore the entire lattice thanks to reptation motions. When recording the polymer mobility with respect to the lattice accessible volume, a sharp mobility transition is observed as witnessed during glass transition. The model ability to reproduce known actual trends in terms of glass transition with respect to material parameters, is also tested.

  6. A new lattice model of traffic flow with the consideration of the drivers' aggressive characteristics

    NASA Astrophysics Data System (ADS)

    Li, Xiaoqin; Fang, Kangling; Peng, Guanghan

    2017-02-01

    In real traffic, aggressive driving behaviors often occurs by anticipating the front density of the next-nearest lattice site at next time step to adjust their acceleration in advance. Therefore, a new lattice model is put forward by considering the driver's aggressive effect (DAE). The linear stability condition is derived from the linear stability theory and the modified KdV equation near the critical point is obtained through nonlinear analysis with the consideration of aggressive driving behaviors, respectively. Both the analytical results and numerical simulation indicate that the driver's aggressive effect can increase the traffic stability. Thus driver's aggressive effect should be considered in traffic lattice model.

  7. Phase transition in the majority-vote model on the Archimedean lattices

    NASA Astrophysics Data System (ADS)

    Yu, Unjong

    2017-01-01

    The majority-vote model with noise was studied on the 11 Archimedean lattices by the Monte Carlo method and finite-size scaling. The critical noises and critical exponents were obtained with precision. Contrary to some previous reports, we confirmed that the majority-vote model on the Archimedean lattices belongs to the two-dimensional Ising universality class. It was shown that very precise determination of the critical noise is required to obtain proper values of the critical exponents.

  8. Verify Super Double-Heterogeneous Spherical Lattice Model for Equilibrium Fuel Cycle Analysis AND HTR Spherical Super Lattice Model for Equilibrium Fuel Cycle Analysis

    SciTech Connect

    Gray S. Chang

    2005-11-01

    The currently being developed advanced High Temperature gas-cooled Reactors (HTR) is able to achieve a simplification of safety through reliance on innovative features and passive systems. One of the innovative features in these HTRs is reliance on ceramic-coated fuel particles to retain the fission products even under extreme accident conditions. Traditionally, the effect of the random fuel kernel distribution in the fuel pebble / block is addressed through the use of the Dancoff correction factor in the resonance treatment. However, the Dancoff correction factor is a function of burnup and fuel kernel packing factor, which requires that the Dancoff correction factor be updated during Equilibrium Fuel Cycle (EqFC) analysis. An advanced KbK-sph model and whole pebble super lattice model (PSLM), which can address and update the burnup dependent Dancoff effect during the EqFC analysis. The pebble homogeneous lattice model (HLM) is verified by the burnup characteristics with the double-heterogeneous KbK-sph lattice model results. This study summarizes and compares the KbK-sph lattice model and HLM burnup analyzed results. Finally, we discuss the Monte-Carlo coupling with a fuel depletion and buildup code - ORIGEN-2 as a fuel burnup analysis tool and its PSLM calculated results for the HTR EqFC burnup analysis.

  9. Mapping the interactions of the single-stranded DNA binding protein of bacteriophage T4 (gp32) with DNA lattices at single nucleotide resolution: gp32 monomer binding

    PubMed Central

    Jose, Davis; Weitzel, Steven E.; Baase, Walter A.; von Hippel, Peter H.

    2015-01-01

    Combining biophysical measurements on T4 bacteriophage replication complexes with detailed structural information can illuminate the molecular mechanisms of these ‘macromolecular machines’. Here we use the low energy circular dichroism (CD) and fluorescent properties of site-specifically introduced base analogues to map and quantify the equilibrium binding interactions of short (8 nts) ssDNA oligomers with gp32 monomers at single nucleotide resolution. We show that single gp32 molecules interact most directly and specifically near the 3′-end of these ssDNA oligomers, thus defining the polarity of gp32 binding with respect to the ssDNA lattice, and that only 2–3 nts are directly involved in this tight binding interaction. The loss of exciton coupling in the CD spectra of dimer 2-AP (2-aminopurine) probes at various positions in the ssDNA constructs, together with increases in fluorescence intensity, suggest that gp32 binding directly extends the sugar-phosphate backbone of this ssDNA oligomer, particularly at the 3′-end and facilitates base unstacking along the entire 8-mer lattice. These results provide a model (and ‘DNA map’) for the isolated gp32 binding to ssDNA targets, which serves as the nucleation step for the cooperative binding that occurs at transiently exposed ssDNA sequences within the functioning T4 DNA replication complex. PMID:26275775

  10. Microscopic reversibility and macroscopic irreversibility: A lattice gas model

    NASA Astrophysics Data System (ADS)

    Pérez-Cárdenas, Fernando C.; Resca, Lorenzo; Pegg, Ian L.

    2016-09-01

    We present coarse-grained descriptions and computations of the time evolution of a lattice gas system of indistinguishable particles, whose microscopic laws of motion are exactly reversible, in order to investigate how or what kind of macroscopically irreversible behavior may eventually arise. With increasing coarse-graining and number of particles, relative fluctuations of entropy rapidly decrease and apparently irreversible behavior unfolds. Although that behavior becomes typical in those limits and within a certain range, it is never absolutely irreversible for any individual system with specific initial conditions. Irreversible behavior may arise in various ways. We illustrate one possibility by replacing detailed integer occupation numbers at lattice sites with particle probability densities that evolve diffusively.

  11. Molecular Recognition in a Lattice Model: An Enumeration Study

    NASA Astrophysics Data System (ADS)

    Bogner, Thorsten; Degenhard, Andreas; Schmid, Friederike

    2004-12-01

    We investigate the mechanisms underlying selective molecular recognition of single heteropolymers at chemically structured planar surfaces. To this end, we study systems with two-letter (HP) lattice heteropolymers by exact enumeration techniques. Selectivity for a particular surface is defined by an adsorption energy criterion. We analyze the distributions of selective sequences and the role of mutations. A particularly important factor for molecular recognition is the small-scale structure on the polymers.

  12. Multiple phase transitions in extended hard-core lattice gas models in two dimensions.

    PubMed

    Nath, Trisha; Rajesh, R

    2014-07-01

    We study the k-NN hard-core lattice gas model in which the first k next-nearest-neighbor sites of a particle are excluded from occupation by other particles on a two-dimensional square lattice. This model is the lattice version of the hard-disk system with increasing k corresponding to decreasing lattice spacing. While the hard-disk system is known to undergo a two-step freezing process with increasing density, the lattice model has been known to show only one transition. Here, based on Monte Carlo simulations and high-density expansions of the free energy and density, we argue that for k = 4,10,11,14,⋯, the lattice model undergoes multiple transitions with increasing density. Using Monte Carlo simulations, we confirm the same for k = 4,...,11. This, in turn, resolves an existing puzzle as to why the 4-NN model has a continuous transition against the expectation of a first-order transition.

  13. Permeability of Partially Molten Rocks from Lattice-Boltzmann Modeling

    NASA Astrophysics Data System (ADS)

    Garapic, G.; Faul, U.

    2013-12-01

    Timescales of melt transport at mid-ocean ridges from mantle source to the surface depend on permeability of the partially molten mantle. The permeability is usually predicted indirectly from experimental observations based on porosities that are much higher than the porosities inferred for the partially molten mantle. Low porosities are for example predicted by geochemical models from the onset of melt migration. Since melting starts at the grain scale, permeability of the partially molten mantle will depend on the grain-scale melt distribution. We reconstructed a 3-D view of melt geometry of two experimentally produced samples of partially molten olivine which demonstrates that melt exists in thin layers on two-grain boundaries (Garapić et al.,G3, 2013). The wetted two-grain boundaries have a width about 100 times smaller than the average grain size. Additionally, the pore space consists of a network of triple-junction tubules at all porosities, and large 'melt pools'. Due to the relative size of the wetted two-grain boundaries as well as the size of the triple-junction network compared to the grain size imagining and numerical analyses of partially molten samples require high resolution. Since no direct experimental permeability measurements are possible on partially molten aggregates, we investigate numerically the permeability as a function of porosity for this system. We simulate porous flow through an artificial pore volume using the lattice-Boltzmann method (LBM) and Palabos LB code. Flow simulations were done on a computer cluster on three or four 125 GB nodes with 16 processors per node. With the available memory and allowed run time the maximum size of our pore structure was 1100 voxels per edge. In its simplest form the pore structure consists of a network of cylinders within a matrix of cubic grains. To approximate the observed 3-D melt geometry we added randomly distributed sheets on cube faces ('wetted two-grain boundaries') as well as randomly

  14. Topological triple-vortex lattice stabilized by mixed frustration in expanded honeycomb Kitaev-Heisenberg model

    PubMed Central

    Yao, Xiaoyan; Dong, Shuai

    2016-01-01

    The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486

  15. Fermion bags, duality, and the three dimensional massless lattice thirring model.

    PubMed

    Chandrasekharan, Shailesh; Li, Anyi

    2012-04-06

    The recently proposed fermion-bag approach is a powerful technique to solve some four-fermion lattice field theories. Because of the existence of a duality between strong and weak couplings, the approach leads to efficient Monte Carlo algorithms in both these limits. The new method allows us for the first time to accurately compute quantities close to the quantum critical point in the three dimensional lattice Thirring model with massless fermions on large lattices. The critical exponents at the quantum critical point are found to be ν=0.85(1), η=0.65(1), and η(ψ)=0.37(1).

  16. A New Thermal Lattice Boltzmann Formulation for Modeling Thermal Transport in Complex Heterogeneous Media

    NASA Astrophysics Data System (ADS)

    Karani, H.; Huber, C.

    2014-12-01

    Modeling heat transfer in porous media has numerous industrial and biological applications. Natural porous structures which can be found in many geological and biological systems are complex and generally heterogeneous over a wide range of length scales. The ability of multicomponent media to transfer heat at the continuum scale depends directly on the transport of heat through interfaces between the different constituents. Therefore constraining heat and also mass balance at a macroscopic level depends on the development of quantitative models that account for the processes occurring at smaller scales. Consequently, one needs to deal with several temporal and spatial scales which makes modeling of transport phenomena a complicated task. In the present study, we first investigate thermal transport in natural heterogeneous structures at the discrete scale. We introduce a new and simple lattice Boltzmann formulation which handles conjugate thermal boundary conditions at interfaces between two phases/components. Verification of the present interface treatment on benchmark problems confirms the accuracy and simplicity of the proposed approach. The model's implementation is independent of the interface geometry and provides a powerful method to model thermal transport in heterogeneous media with random microstructures. Because we are ultimately interested in developing macroscale (homogenized) conservation laws for heterogeneous media, we introduce a macroscopic thermal model based on variable-order (VO) time and space derivatives. The proposed thermal model maps the heterogeneities in temporal and spatial scales into the order of the fractional derivative, which allows us to steer away from a classical diffusion equation for complex heterogeneous media. We then verify the VO thermal model for benchmark problems and discuss the possible links between values of VO derivatives in the new conservation equation and microstructure through spatial correlation functions.

  17. Interactive mapping on 3-D terrain models

    NASA Astrophysics Data System (ADS)

    Bernardin, T.; Cowgill, E.; Gold, R.; Hamann, B.; Kreylos, O.; Schmitt, A.

    2006-10-01

    We present an interactive, real-time mapping system for use with digital elevation models and remotely sensed multispectral imagery that aids geoscientists in the creation and interpretation of geologic/neotectonic maps at length scales of 10 m to 1000 km. Our system provides a terrain visualization of the surface of the Earth or other terrestrial planets by displaying a virtual terrain model generated from a digital elevation model overlain by a color texture generated from orthophotos or satellite imagery. We use a quadtree-based, multiresolution display method to render in real time high-resolution virtual terrain models that span large spatial regions. The system allows users to measure the orientations of geologic surfaces and record their observations by drawing lines directly on the virtual terrain model. In addition, interpretive surfaces can be generated from these drawings and displayed to facilitate understanding of the three-dimensional geometry of geologic surfaces. The main strength of our system is the combination of real-time rendering and interactive mapping performed directly on the virtual terrain model with the ability to navigate the scene while changing viewpoints arbitrarily during mapping. User studies and comparisons with commercially available mapping software show that our system improves mapping accuracy and efficiency and also yields observations that cannot be made with existing systems.

  18. Extended Bose Hubbard model of interacting bosonic atoms in optical lattices: From superfluidity to density waves

    SciTech Connect

    Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.

    2006-01-15

    For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.

  19. Thermodynamics of the Hubbard model on stacked honeycomb and square lattices

    NASA Astrophysics Data System (ADS)

    Imriška, Jakub; Gull, Emanuel; Troyer, Matthias

    2016-07-01

    We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling. Supplementary material in the form of one zip file available from the Jounal web page at http://dx.doi.org/10.1140/epjb/e2016-70146-y

  20. The square lattice Ising model on the rectangle I: finite systems

    NASA Astrophysics Data System (ADS)

    Hucht, Alfred

    2017-02-01

    The partition function of the square lattice Ising model on the rectangle with open boundary conditions in both directions is calculated exactly for arbitrary system size L× M and temperature. We start with the dimer method of Kasteleyn, McCoy and Wu, construct a highly symmetric block transfer matrix and derive a factorization of the involved determinant, effectively decomposing the free energy of the system into two parts, F(L,M)={{F}\\text{strip}}(L,M)+F\\text{strip}\\text{res}(L,M) , where the residual part F\\text{strip}\\text{res}(L,M) contains the nontrivial finite-L contributions for fixed M. It is given by the determinant of a M/2× M/2 matrix and can be mapped onto an effective spin model with M Ising spins and long-range interactions. While F\\text{strip}\\text{res}(L,M) becomes exponentially small for large L/M or off-critical temperatures, it leads to important finite-size effects such as the critical Casimir force near criticality. The relations to the Casimir potential and the Casimir force are discussed.

  1. Externalising Students' Mental Models through Concept Maps

    ERIC Educational Resources Information Center

    Chang, Shu-Nu

    2007-01-01

    The purpose of this study is to use concept maps as an "expressed model" to investigate students' mental models regarding the homeostasis of blood sugar. The difficulties in learning the concept of homeostasis and in probing mental models have been revealed in many studies. Homeostasis of blood sugar is one of the themes in junior high…

  2. Universality of the Ising and the S=1 model on Archimedean lattices: a Monte Carlo determination.

    PubMed

    Malakis, A; Gulpinar, G; Karaaslan, Y; Papakonstantinou, T; Aslan, G

    2012-03-01

    The Ising models S=1/2 and S=1 are studied by efficient Monte Carlo schemes on the (3,4,6,4) and the (3,3,3,3,6) Archimedean lattices. The algorithms used, a hybrid Metropolis-Wolff algorithm and a parallel tempering protocol, are briefly described and compared with the simple Metropolis algorithm. Accurate Monte Carlo data are produced at the exact critical temperatures of the Ising model for these lattices. Their finite-size analysis provide, with high accuracy, all critical exponents which, as expected, are the same with the well-known 2D Ising model exact values. A detailed finite-size scaling analysis of our Monte Carlo data for the S=1 model on the same lattices provides very clear evidence that this model obeys, also very well, the 2D Ising model critical exponents. As a result, we find that recent Monte Carlo simulations and attempts to define effective dimensionality for the S=1 model on these lattices are misleading. Accurate estimates are obtained for the critical amplitudes of the logarithmic expansions of the specific heat for both models on the two Archimedean lattices.

  3. Universality of the Ising and the S=1 model on Archimedean lattices: A Monte Carlo determination

    NASA Astrophysics Data System (ADS)

    Malakis, A.; Gulpinar, G.; Karaaslan, Y.; Papakonstantinou, T.; Aslan, G.

    2012-03-01

    The Ising models S=1/2 and S=1 are studied by efficient Monte Carlo schemes on the (3,4,6,4) and the (3,3,3,3,6) Archimedean lattices. The algorithms used, a hybrid Metropolis-Wolff algorithm and a parallel tempering protocol, are briefly described and compared with the simple Metropolis algorithm. Accurate Monte Carlo data are produced at the exact critical temperatures of the Ising model for these lattices. Their finite-size analysis provide, with high accuracy, all critical exponents which, as expected, are the same with the well-known 2D Ising model exact values. A detailed finite-size scaling analysis of our Monte Carlo data for the S=1 model on the same lattices provides very clear evidence that this model obeys, also very well, the 2D Ising model critical exponents. As a result, we find that recent Monte Carlo simulations and attempts to define effective dimensionality for the S=1 model on these lattices are misleading. Accurate estimates are obtained for the critical amplitudes of the logarithmic expansions of the specific heat for both models on the two Archimedean lattices.

  4. Three-level Haldane-like model on a dice optical lattice

    NASA Astrophysics Data System (ADS)

    Andrijauskas, T.; Anisimovas, E.; RačiÅ«nas, M.; Mekys, A.; Kudriašov, V.; Spielman, I. B.; JuzeliÅ«nas, G.

    2015-09-01

    We consider ultracold atoms in a two-dimensional optical lattice of the dice geometry in a tight-binding regime. The atoms experience a laser-assisted tunneling between the nearest neighbor sites of the dice lattice accompanied by the momentum recoil. This allows one to engineer staggered synthetic magnetic fluxes over plaquettes, and thus pave a way towards the realization of topologically nontrivial band structures. In such a lattice the real-valued next-nearest neighbor transitions are not needed to reach a topological regime. Yet, such transitions can increase a variety of the obtained topological phases. The dice lattice represents a triangular Bravais lattice with a three-site basis consisting of a hub site connected to two rim sites. As a consequence, the dice lattice supports three energy bands. From this point of view, our model can be interpreted as a generalization of the paradigmatic Haldane model which is reproduced if one of the two rim sublattices is eliminated. We demonstrate that the proposed upgrade of the Haldane model creates a significant added value, including an easy access to topological semimetal phases relying only on the nearest neighbor coupling, as well as enhanced topological band structures featuring Chern numbers higher than one leading to physics beyond the usual quantum Hall effect. The numerical investigation is supported and complemented by an analytical scheme based on the study of singularities in the Berry connection.

  5. Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

    DOE PAGES

    Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; ...

    2015-06-08

    Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA)more » is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 103 sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 104 lattice sites and with some effort on 105 lattice sites, representing the record lattice sizes studied for this family of models.« less

  6. Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices

    SciTech Connect

    Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; Dagotto, Elbio

    2015-06-08

    Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA) is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 103 sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 104 lattice sites and with some effort on 105 lattice sites, representing the record lattice sizes studied for this family of models.

  7. Parallelized traveling cluster approximation to study numerically spin-fermion models on large lattices.

    PubMed

    Mukherjee, Anamitra; Patel, Niravkumar D; Bishop, Chris; Dagotto, Elbio

    2015-06-01

    Lattice spin-fermion models are important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the "spins," are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The "traveling cluster approximation" (TCA) is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 10(3) sites. In this publication, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. This allows us to solve generic spin-fermion models easily on 10(4) lattice sites and with some effort on 10(5) lattice sites, representing the record lattice sizes studied for this family of models.

  8. The S=1 Underscreened Anderson Lattice model for Uranium compounds

    NASA Astrophysics Data System (ADS)

    Thomas, C.; Simões, A. S. R.; Iglesias, J. R.; Lacroix, C.; Perkins, N. B.; Coqblin, B.

    2011-01-01

    Magnetic properties of uranium and neptunium compounds showing coexistence of the Kondo effect and ferromagnetic order are investigated within the degenerate Anderson Lattice Hamiltonian, describing a 5f2 electronic configuration with S = 1 spins. Through the Schrieffer-Wolff transformation, both an exchange Kondo interaction for the S = 1 f-spins and an effective f-band term are obtained, allowing to describe the coexistence of Kondo effect and ferromagnetic ordering and a weak delocalization of the 5f-electrons. We calculate the Kondo and Curie temperatures and we can account for the pressure dependence of the Curie temperature of UTe.

  9. Lattice models of ionic systems with charge asymmetry

    NASA Astrophysics Data System (ADS)

    Artyomov, Maxim N.; Kobelev, Vladimir; Kolomeisky, Anatoly B.

    2003-04-01

    The thermodynamics of a charge-asymmetric lattice gas of positive ions carrying charge q and negative ions with charge -zq is investigated using Debye-Hückel theory. Explicit analytic and numerical calculations, which take into account the formation of neutral and charged clusters and cluster solvation by the residual ions, are performed for z=2, 3, and 4. As charge asymmetry increases, the predicted critical point shifts to lower temperatures and higher densities. This trend agrees well with the results from recent Monte Carlo simulations for continuum charge-asymmetric hard-sphere ionic fluids and with the corresponding predictions from continuum Debye-Hückel theory.

  10. Static contact angle in lattice Boltzmann models of immiscible fluids.

    PubMed

    Latva-Kokko, M; Rothman, Daniel H

    2005-10-01

    We study numerically the capillary rise between two horizontal plates and in a rectangular tube, using a lattice Boltzmann (LB) method. We derive an equation for the static fluid-solid contact angle as a function of the wetting tendency of the walls and test its validity. We show that the generalized Laplace law with two independent radii of curvature is followed in capillary rise in rectangular tubes. Our method removes the history dependence of the fluid-solid contact angle that had been present in earlier LB schemes.

  11. Geometric modeling and analysis of large latticed surfaces

    NASA Technical Reports Server (NTRS)

    Nayfeh, A. H.; Hefzy, M. S.

    1980-01-01

    The application of geometrical schemes, similar to geodesic domes, to large spherical antenna reflectors was investigated. The shape and size of flat segmented latticed surfaces which approximate general shells of revolution, and in particular spherical and paraboloidal reflective surfaces, were determined. The extensive mathematical and computational geometric analyses of the reflector resulted in the development of a general purpose computer program capable of generating the complete design parameters of the dish. The program also includes a graphical self contained subroutine for graphic display of the required design.

  12. Models for mean bonding length, melting point and lattice thermal expansion of nanoparticle materials

    SciTech Connect

    Omar, M.S.

    2012-11-15

    Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.

  13. Correlation Effects in One-Dimensional Quasiperiodic Anderson-Lattice Model

    NASA Astrophysics Data System (ADS)

    Matsuda, Fuyuki; Tezuka, Masaki; Kawakami, Norio

    We consider the one-dimensional (1D) quasiperiodic Anderson-lattice model, which has quasiperiodically ordered impurities. The sites with an f-orbital are ordered as a "Fibonacci word", one way to form 1D quasiperiodic orderings. To treat the correlation effect precisely, we use the density matrix renormalization group (DMRG) method. We show that the spin correlation function in the quasiperiodic system gives a characteristic pattern. Also, by analyzing the f-electron number and its fluctuation, we find that a valence transition, which usually occurs in the periodic Anderson model when the on-site interorbital interaction is large, is not sharp in the quasiperiodic system. Finally, we discuss the properties of the quasiperiodic Anderson-lattice model, comparing them against the Anderson-lattice model with randomly located f-orbitals. We find that the quasiperiodic Anderson-lattice model has a similar property to the periodic Anderson model for spin correlation, but also has a similar property to the Anderson-lattice model with randomly located f-orbitals for the valence fluctuation.

  14. The Lunar Mapping and Modeling Project Update

    NASA Technical Reports Server (NTRS)

    Noble, S.; French, R.; Nall, M.; Muery, K.

    2010-01-01

    The Lunar Mapping and Modeling Project (LMMP) is managing the development of a suite of lunar mapping and modeling tools and data products that support lunar exploration activities, including the planning, design, development, test, and operations associated with crewed and/or robotic operations on the lunar surface. In addition, LMMP should prove to be a convenient and useful tool for scientific analysis and for education and public outreach (E/PO) activities. LMMP will utilize data predominately from the Lunar Reconnaissance Orbiter, but also historical and international lunar mission data (e.g. Lunar Prospector, Clementine, Apollo, Lunar Orbiter, Kaguya, and Chandrayaan-1) as available and appropriate. LMMP will provide such products as image mosaics, DEMs, hazard assessment maps, temperature maps, lighting maps and models, gravity models, and resource maps. We are working closely with the LRO team to prevent duplication of efforts and ensure the highest quality data products. A beta version of the LMMP software was released for limited distribution in December 2009, with the public release of version 1 expected in the Fall of 2010.

  15. Lattice model of linear telechelic polymer melts. I. Inclusion of chain semiflexibility in the lattice cluster theory

    SciTech Connect

    Xu, Wen-Sheng; Freed, Karl F.

    2015-07-14

    The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.

  16. Edge magnetism of Heisenberg model on honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Huang, Wen-Min; Hikihara, Toshiya; Lee, Yen-Chen; Lin, Hsiu-Hau

    2017-03-01

    Edge magnetism in graphene sparks intense theoretical and experimental interests. In the previous study, we demonstrated the existence of collective excitations at the zigzag edge of the honeycomb lattice with long-ranged Néel order. By employing the Schwinger-boson approach, we show that the edge magnons remain robust even when the long-ranged order is destroyed by spin fluctuations. Furthermore, in the effective field-theory limit, the dynamics of the edge magnon is captured by the one-dimensional relativistic Klein-Gordon equation. It is intriguing that the boundary field theory for the edge magnon is tied up with its bulk counterpart. By performing density-matrix renormalization group calculations, we show that the robustness may be attributed to the closeness between the ground state and the Néel state. The existence of edge magnon is not limited to the honeycomb structure, as demonstrated in the rotated-square lattice with zigzag edges as well. The universal behavior indicates that the edge magnons may attribute to the uncompensated edges and can be detected in many two-dimensional materials.

  17. Nonequilibrium Gross-Pitaevskii dynamics of boson lattice models

    SciTech Connect

    Polkovnikov, Anatoli; Sachdev, Subir; Girvin, S.M.

    2002-11-01

    Motivated by recent experiments on trapped ultracold bosonic atoms in an optical lattice potential, we consider the nonequilibrium dynamic properties of such bosonic systems for a number of experimentally relevant situations. When the number of bosons per lattice site is large, there is a wide parameter regime where the effective boson interactions are strong, but the ground state remains a superfluid (and not a Mott insulator): we describe the conditions under which the dynamics in this regime can be described by a discrete Gross-Pitaevskii equation. We describe the evolution of the phase coherence after the system is initially prepared in a Mott insulating state, and then allowed to evolve after a sudden change in parameters places it in a regime with a superfluid ground state. We also consider initial conditions with a '{pi} phase' imprint on a superfluid ground state (i.e., the initial phases of neighboring wells differ by {pi}), and discuss the subsequent appearance of the density wave order and 'Schroedinger cat', i.e., macroscopic quantum interference, states.

  18. Edge magnetism of Heisenberg model on honeycomb lattice.

    PubMed

    Huang, Wen-Min; Hikihara, Toshiya; Lee, Yen-Chen; Lin, Hsiu-Hau

    2017-03-07

    Edge magnetism in graphene sparks intense theoretical and experimental interests. In the previous study, we demonstrated the existence of collective excitations at the zigzag edge of the honeycomb lattice with long-ranged Néel order. By employing the Schwinger-boson approach, we show that the edge magnons remain robust even when the long-ranged order is destroyed by spin fluctuations. Furthermore, in the effective field-theory limit, the dynamics of the edge magnon is captured by the one-dimensional relativistic Klein-Gordon equation. It is intriguing that the boundary field theory for the edge magnon is tied up with its bulk counterpart. By performing density-matrix renormalization group calculations, we show that the robustness may be attributed to the closeness between the ground state and the Néel state. The existence of edge magnon is not limited to the honeycomb structure, as demonstrated in the rotated-square lattice with zigzag edges as well. The universal behavior indicates that the edge magnons may attribute to the uncompensated edges and can be detected in many two-dimensional materials.

  19. Edge magnetism of Heisenberg model on honeycomb lattice

    PubMed Central

    Huang, Wen-Min; Hikihara, Toshiya; Lee, Yen-Chen; Lin, Hsiu-Hau

    2017-01-01

    Edge magnetism in graphene sparks intense theoretical and experimental interests. In the previous study, we demonstrated the existence of collective excitations at the zigzag edge of the honeycomb lattice with long-ranged Néel order. By employing the Schwinger-boson approach, we show that the edge magnons remain robust even when the long-ranged order is destroyed by spin fluctuations. Furthermore, in the effective field-theory limit, the dynamics of the edge magnon is captured by the one-dimensional relativistic Klein-Gordon equation. It is intriguing that the boundary field theory for the edge magnon is tied up with its bulk counterpart. By performing density-matrix renormalization group calculations, we show that the robustness may be attributed to the closeness between the ground state and the Néel state. The existence of edge magnon is not limited to the honeycomb structure, as demonstrated in the rotated-square lattice with zigzag edges as well. The universal behavior indicates that the edge magnons may attribute to the uncompensated edges and can be detected in many two-dimensional materials. PMID:28266559

  20. Local rules for protein folding on a triangular lattice and generalized hydrophobicity in the HP model

    SciTech Connect

    Agarwala, R.; Batzoglou, S.; Dancik, V.

    1997-06-01

    We consider the problem of determining the three-dimensional folding of a protein given its one-dimensional amino acid sequence. We use the HP model for protein folding proposed by Dill, which models protein as a chain of amino acid residues that are either hydrophobic or polar, and hydrophobic interactions are the dominant initial driving force for the protein folding. Hart and Istrail gave approximation algorithms for folding proteins on the cubic lattice under HP model. In this paper, we examine the choice of a lattice by considering its algorithmic and geometric implications and argue that triangular lattice is a more reasonable choice. We present a set of folding rules for a triangular lattice and analyze the approximation ratio which they achieve. In addition, we introduce a generalization of the HP model to account for residues having different levels of hydrophobicity. After describing the biological foundation for this generalization, we show that in the new model we are able to achieve similar constant factor approximation guarantees on the triangular lattice as were achieved in the standard HP model. While the structures derived from our folding rules are probably still far from biological reality, we hope that having a set of folding rules with different properties will yield more interesting folds when combined.

  1. Custom map projections for regional groundwater models

    USGS Publications Warehouse

    Kuniansky, Eve L.

    2017-01-01

    For regional groundwater flow models (areas greater than 100,000 km2), improper choice of map projection parameters can result in model error for boundary conditions dependent on area (recharge or evapotranspiration simulated by application of a rate using cell area from model discretization) and length (rivers simulated with head-dependent flux boundary). Smaller model areas can use local map coordinates, such as State Plane (United States) or Universal Transverse Mercator (correct zone) without introducing large errors. Map projections vary in order to preserve one or more of the following properties: area, shape, distance (length), or direction. Numerous map projections are developed for different purposes as all four properties cannot be preserved simultaneously. Preservation of area and length are most critical for groundwater models. The Albers equal-area conic projection with custom standard parallels, selected by dividing the length north to south by 6 and selecting standard parallels 1/6th above or below the southern and northern extent, preserves both area and length for continental areas in mid latitudes oriented east-west. Custom map projection parameters can also minimize area and length error in non-ideal projections. Additionally, one must also use consistent vertical and horizontal datums for all geographic data. The generalized polygon for the Floridan aquifer system study area (306,247.59 km2) is used to provide quantitative examples of the effect of map projections on length and area with different projections and parameter choices. Use of improper map projection is one model construction problem easily avoided.

  2. Custom Map Projections for Regional Groundwater Models.

    PubMed

    Kuniansky, Eve L

    2017-03-01

    For regional groundwater flow models (areas greater than 100,000 km(2) ), improper choice of map projection parameters can result in model error for boundary conditions dependent on area (recharge or evapotranspiration simulated by application of a rate using cell area from model discretization) and length (rivers simulated with head-dependent flux boundary). Smaller model areas can use local map coordinates, such as State Plane (United States) or Universal Transverse Mercator (correct zone) without introducing large errors. Map projections vary in order to preserve one or more of the following properties: area, shape, distance (length), or direction. Numerous map projections are developed for different purposes as all four properties cannot be preserved simultaneously. Preservation of area and length are most critical for groundwater models. The Albers equal-area conic projection with custom standard parallels, selected by dividing the length north to south by 6 and selecting standard parallels 1/6th above or below the southern and northern extent, preserves both area and length for continental areas in mid latitudes oriented east-west. Custom map projection parameters can also minimize area and length error in non-ideal projections. Additionally, one must also use consistent vertical and horizontal datums for all geographic data. The generalized polygon for the Floridan aquifer system study area (306,247.59 km(2) ) is used to provide quantitative examples of the effect of map projections on length and area with different projections and parameter choices. Use of improper map projection is one model construction problem easily avoided.

  3. Capturing fast relaxing spins with SWIFT adiabatic rotating frame spin-lattice relaxation (T1ρ) mapping.

    PubMed

    Zhang, J; Nissi, M J; Idiyatullin, D; Michaeli, S; Garwood, M; Ellermann, J

    2016-04-01

    Rotating frame spin-lattice relaxation, with the characteristic time constant T1ρ, provides a means to access motion-restricted (slow) spin dynamics in MRI. As a result of their restricted motion, these spins are sometimes characterized by a short transverse relaxation time constant T2 and thus can be difficult to detect directly with conventional image acquisition techniques. Here, we introduce an approach for three-dimensional adiabatic T1ρ mapping based on a magnetization-prepared sweep imaging with Fourier transformation (MP-SWIFT) sequence, which captures signal from almost all water spin populations, including the extremely fast relaxing pool. A semi-analytical procedure for T1ρ mapping is described. Experiments on phantoms and musculoskeletal tissue specimens (tendon, articular and epiphyseal cartilages) were performed at 9.4 T for both the MP-SWIFT and fast spin echo (FSE) read outs. In the phantom with liquids having fast molecular tumbling and a single-valued T1ρ time constant, the measured T1ρ values obtained with MP-SWIFT and FSE were similar. Conversely, in normal musculoskeletal tissues, T1ρ values measured with MP-SWIFT were much shorter than the values obtained with FSE. Studies of biological tissue specimens demonstrated that T1ρ-weighted SWIFT provides higher contrast between normal and diseased tissues relative to conventional acquisitions. Adiabatic T1ρ mapping with SWIFT readout captures contributions from the otherwise undetected fast relaxing spins, allowing more informative T1ρ measurements of normal and diseased states.

  4. A Firefly-Inspired Method for Protein Structure Prediction in Lattice Models

    PubMed Central

    Maher, Brian; Albrecht, Andreas A.; Loomes, Martin; Yang, Xin-She; Steinhöfel, Kathleen

    2014-01-01

    We introduce a Firefly-inspired algorithmic approach for protein structure prediction over two different lattice models in three-dimensional space. In particular, we consider three-dimensional cubic and three-dimensional face-centred-cubic (FCC) lattices. The underlying energy models are the Hydrophobic-Polar (H-P) model, the Miyazawa–Jernigan (M-J) model and a related matrix model. The implementation of our approach is tested on ten H-P benchmark problems of a length of 48 and ten M-J benchmark problems of a length ranging from 48 until 61. The key complexity parameter we investigate is the total number of objective function evaluations required to achieve the optimum energy values for the H-P model or competitive results in comparison to published values for the M-J model. For H-P instances and cubic lattices, where data for comparison are available, we obtain an average speed-up over eight instances of 2.1, leaving out two extreme values (otherwise, 8.8). For six M-J instances, data for comparison are available for cubic lattices and runs with a population size of 100, where, a priori, the minimum free energy is a termination criterion. The average speed-up over four instances is 1.2 (leaving out two extreme values, otherwise 1.1), which is achieved for a population size of only eight instances. The present study is a test case with initial results for ad hoc parameter settings, with the aim of justifying future research on larger instances within lattice model settings, eventually leading to the ultimate goal of implementations for off-lattice models. PMID:24970205

  5. Large-scale Monte Carlo simulations for the depinning transition in Ising-type lattice models

    NASA Astrophysics Data System (ADS)

    Si, Lisha; Liao, Xiaoyun; Zhou, Nengji

    2016-12-01

    With the developed "extended Monte Carlo" (EMC) algorithm, we have studied the depinning transition in Ising-type lattice models by extensive numerical simulations, taking the random-field Ising model with a driving field and the driven bond-diluted Ising model as examples. In comparison with the usual Monte Carlo method, the EMC algorithm exhibits greater efficiency of the simulations. Based on the short-time dynamic scaling form, both the transition field and critical exponents of the depinning transition are determined accurately via the large-scale simulations with the lattice size up to L = 8912, significantly refining the results in earlier literature. In the strong-disorder regime, a new universality class of the Ising-type lattice model is unveiled with the exponents β = 0.304(5) , ν = 1.32(3) , z = 1.12(1) , and ζ = 0.90(1) , quite different from that of the quenched Edwards-Wilkinson equation.

  6. Data Model to CSS Mappings.

    SciTech Connect

    Hamlet, Benjamin R.; Montoya, Mark Sinclair; Vickers, James Wallace; Sandoval, Rudy Daniel

    2015-12-01

    This initial draft document contains formative data model content for select areas of Re-Engineering Phase 2 IDC System. The purpose of this document is to facilitate discussion among the stakeholders. It is not intended as a definitive proposal.

  7. Quantum phase diagrams of the Jaynes–Cummings Hubbard models in non-rectangular lattices

    NASA Astrophysics Data System (ADS)

    Zhang, Jun; Jiang, Ying

    2017-03-01

    In this paper, we investigate systematically the quantum phase transition between the Mott-insulator and superfluid states of the Jaynes–Cummings Hubbard model in triangular, square, honeycomb and kagomé lattices. With the help of Green’s function method, by treating the hopping term in the Jaynes–Cummings Hubbard model as perturbation, we calculate the phase boundaries of Jaynes–Cummings Hubbard models on different geometrical lattices analytically up to second order for both detuning Δ =0 and Δ \

  8. 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.

  9. Honeycomb-Lattice Heisenberg-Kitaev Model in a Magnetic Field: Spin Canting, Metamagnetism, and Vortex Crystals

    NASA Astrophysics Data System (ADS)

    Janssen, Lukas; Andrade, Eric C.; Vojta, Matthias

    2016-12-01

    The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A2IrO3 (A =Na , Li ) and α -RuCl3 . Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111 ] direction. We also discuss quantum corrections in the high-field phase.

  10. Honeycomb-Lattice Heisenberg-Kitaev Model in a Magnetic Field: Spin Canting, Metamagnetism, and Vortex Crystals.

    PubMed

    Janssen, Lukas; Andrade, Eric C; Vojta, Matthias

    2016-12-30

    The Heisenberg-Kitaev model is a paradigmatic model to describe the magnetism in honeycomb-lattice Mott insulators with strong spin-orbit coupling, such as A_{2}IrO_{3} (A=Na, Li) and α-RuCl_{3}. Here, we study in detail the physics of the Heisenberg-Kitaev model in an external magnetic field. Using a combination of Monte Carlo simulations and spin-wave theory, we map out the classical phase diagram for different directions of the magnetic field. Broken SU(2) spin symmetry renders the magnetization process rather complex, with sequences of phases and metamagnetic transitions. In particular, we find various large-unit-cell and multi-Q phases including a vortex-crystal phase for a field in the [111] direction. We also discuss quantum corrections in the high-field phase.

  11. Random-field Ising model on isometric lattices: Ground states and non-Porod scattering.

    PubMed

    Bupathy, Arunkumar; Banerjee, Varsha; Puri, Sanjay

    2016-01-01

    We use a computationally efficient graph cut method to obtain ground state morphologies of the random-field Ising model (RFIM) on (i) simple cubic (SC), (ii) body-centered cubic (BCC), and (iii) face-centered cubic (FCC) lattices. We determine the critical disorder strength Δ_{c} at zero temperature with high accuracy. For the SC lattice, our estimate (Δ_{c}=2.278±0.002) is consistent with earlier reports. For the BCC and FCC lattices, Δ_{c}=3.316±0.002 and 5.160±0.002, respectively, which are the most accurate estimates in the literature to date. The small-r behavior of the correlation function exhibits a cusp regime characterized by a cusp exponent α signifying fractal interfaces. In the paramagnetic phase, α=0.5±0.01 for all three lattices. In the ferromagnetic phase, the cusp exponent shows small variations due to the lattice structure. Consequently, the interfacial energy E_{i}(L) for an interface of size L is significantly different for the three lattices. This has important implications for nonequilibrium properties.

  12. Random-field Ising model on isometric lattices: Ground states and non-Porod scattering

    NASA Astrophysics Data System (ADS)

    Bupathy, Arunkumar; Banerjee, Varsha; Puri, Sanjay

    2016-01-01

    We use a computationally efficient graph cut method to obtain ground state morphologies of the random-field Ising model (RFIM) on (i) simple cubic (SC), (ii) body-centered cubic (BCC), and (iii) face-centered cubic (FCC) lattices. We determine the critical disorder strength Δc at zero temperature with high accuracy. For the SC lattice, our estimate (Δc=2.278 ±0.002 ) is consistent with earlier reports. For the BCC and FCC lattices, Δc=3.316 ±0.002 and 5.160 ±0.002 , respectively, which are the most accurate estimates in the literature to date. The small-r behavior of the correlation function exhibits a cusp regime characterized by a cusp exponent α signifying fractal interfaces. In the paramagnetic phase, α =0.5 ±0.01 for all three lattices. In the ferromagnetic phase, the cusp exponent shows small variations due to the lattice structure. Consequently, the interfacial energy Ei(L ) for an interface of size L is significantly different for the three lattices. This has important implications for nonequilibrium properties.

  13. On the security of a new image encryption scheme based on chaotic map lattices.

    PubMed

    Arroyo, David; Rhouma, Rhouma; Alvarez, Gonzalo; Li, Shujun; Fernandez, Veronica

    2008-09-01

    This paper reports a detailed cryptanalysis of a recently proposed encryption scheme based on the logistic map [A. Pisarchik et al., Chaos 16, 033118 (2006)]. Some problems are emphasized concerning the key space definition and the implementation of the cryptosystem using floating-point operations. It is also shown how it is possible to reduce considerably the key space through a ciphertext-only attack. Moreover, a timing attack allows for the estimation of part of the key due to the existent relationship between this part of the key and the encryption/decryption time. As a result, the main features of the cryptosystem do not satisfy the demands of secure communications. Some hints are offered to improve the cryptosystem under study according to those requirements.

  14. Multiband effects and the Bose-Hubbard model in one-dimensional lattices

    NASA Astrophysics Data System (ADS)

    Xu, Wei; Olshanii, Maxim; Rigol, Marcos

    2016-09-01

    We study phase diagrams of one-dimensional bosons with contact interactions in the presence of a lattice. We use the worm algorithm in continuous space and focus on the incommensurate superfluid-Mott-insulator transition. Our results are compared to those from the one-band Bose-Hubbard model. When Wannier states are used to determine the Bose-Hubbard model parameters, the comparison unveils an apparent breakdown of the one-band description for strong interactions, even for the Mott-insulating state with an average of one particle per site (n =1 ) in deep lattices. We introduce an inverse confined scattering analysis to obtain the ratio U /J , with which the Bose-Hubbard model provides correct results for strong interactions, deep lattices, and n =1 .

  15. Strong coupling expansion for the Bose-Hubbard and Jaynes-Cummings lattice models.

    PubMed

    Heil, Christoph; von der Linden, Wolfgang

    2012-07-25

    A strong coupling expansion based on the Kato-Bloch perturbation theory, which has recently been proposed by Eckardt et al (2009 Phys. Rev. B 79 195131) and Teichmann et al (2009 Phys. Rev. B 79 224515), is implemented in order to study various aspects of the Bose-Hubbard and Jaynes-Cummings lattice models. The approach, which allows us to generate numerically all diagrams up to a desired order in the interaction strength, is generalized for disordered systems and for the Jaynes-Cummings lattice model. Results for the Bose-Hubbard and Jaynes-Cummings lattice models will be presented and compared with results from the variational cluster approach and density matrix renormalization group. Our focus will be on the Mott insulator to superfluid transition.

  16. Decorated tensor network renormalization for lattice gauge theories and spin foam models

    NASA Astrophysics Data System (ADS)

    Dittrich, Bianca; Mizera, Sebastian; Steinhaus, Sebastian

    2016-05-01

    Tensor network techniques have proved to be powerful tools that can be employed to explore the large scale dynamics of lattice systems. Nonetheless, the redundancy of degrees of freedom in lattice gauge theories (and related models) poses a challenge for standard tensor network algorithms. We accommodate for such systems by introducing an additional structure decorating the tensor network. This allows to explicitly preserve the gauge symmetry of the system under coarse graining and straightforwardly interpret the fixed point tensors. We propose and test (for models with finite Abelian groups) a coarse graining algorithm for lattice gauge theories based on decorated tensor networks. We also point out that decorated tensor networks are applicable to other models as well, where they provide the advantage to give immediate access to certain expectation values and correlation functions.

  17. Bose-Einstein quantum phase transition in an optical lattice model

    SciTech Connect

    Aizenman, Michael; Lieb, Elliott H.; Seiringer, Robert; Solovej, Jan Philip; Yngvason, Jakob

    2004-08-01

    Bose-Einstein condensation (BEC) in cold gases can be turned on and off by an external potential, such as that presented by an optical lattice. We present a model of this phenomenon which we are able to analyze rigorously. The system is a hard core lattice gas at half of the maximum density and the optical lattice is modeled by a periodic potential of strength {lambda}. For small {lambda} and temperature, BEC is proved to occur, while at large {lambda} or temperature there is no BEC. At large {lambda} the low-temperature states are in a Mott insulator phase with a characteristic gap that is absent in the BEC phase. The interparticle interaction is essential for this transition, which occurs even in the ground state. Surprisingly, the condensation is always into the p=0 mode in this model, although the density itself has the periodicity of the imposed potential.

  18. Wang-Landau sampling in face-centered-cubic hydrophobic-hydrophilic lattice model proteins.

    PubMed

    Liu, Jingfa; Song, Beibei; Yao, Yonglei; Xue, Yu; Liu, Wenjie; Liu, Zhaoxia

    2014-10-01

    Finding the global minimum-energy structure is one of the main problems of protein structure prediction. The face-centered-cubic (fcc) hydrophobic-hydrophilic (HP) lattice model can reach high approximation ratios of real protein structures, so the fcc lattice model is a good choice to predict the protein structures. The lacking of an effective global optimization method is the key obstacle in solving this problem. The Wang-Landau sampling method is especially useful for complex systems with a rough energy landscape and has been successfully applied to solving many optimization problems. We apply the improved Wang-Landau (IWL) sampling method, which incorporates the generation of an initial conformation based on the greedy strategy and the neighborhood strategy based on pull moves into the Wang-Landau sampling method to predict the protein structures on the fcc HP lattice model. Unlike conventional Monte Carlo simulations that generate a probability distribution at a given temperature, the Wang-Landau sampling method can estimate the density of states accurately via a random walk, which produces a flat histogram in energy space. We test 12 general benchmark instances on both two-dimensional and three-dimensional (3D) fcc HP lattice models. The lowest energies by the IWL sampling method are as good as or better than those of other methods in the literature for all instances. We then test five sets of larger-scale instances, denoted by the S, R, F90, F180, and CASP target instances on the 3D fcc HP lattice model. The numerical results show that our algorithm performs better than the other five methods in the literature on both the lowest energies and the average lowest energies in all runs. The IWL sampling method turns out to be a powerful tool to study the structure prediction of the fcc HP lattice model proteins.

  19. Local rules for protein folding on a triangular lattice and generalized hydrophobicity in the HP model

    SciTech Connect

    Agarwala, R.; Batzoglou, S.; Dancik, V.

    1997-12-01

    A long standing problem in molecular biology is to determine the three-dimensional structure of a protein, given its amino acid sequence. A variety of simplifying models have been proposed abstracting only the {open_quotes}essential physical properties{close_quotes} of real proteins. In these models, the three dimensional space is often represented by a lattice. Residues which are adjacent in the primary sequence (i.e. covalently linked) must be placed at adjacent points in the lattice. A conformation of a protein is simply a self-avoiding walk along the lattice. The protein folding problem STRING-FOLD is that of finding a conformation of the protein sequence on the lattice such that the overall energy is minimized, for some reasonable definition of energy. This formulation leaves open the choices of a lattice and an energy function. Once these choices are made, one may then address the algorithmic complexity of optimizing the energy function for the lattice. For a variety of such simple models, this minimization problem is in fact NP-hard. In this paper, we consider the Hydrophobic-Polar (HP) Model introduced by Dill. The HP model abstracts the problem by grouping the 20 amino acids into two classes: hydrophobic (or non-polar) residues and hydrophilic (or polar) residues. For concreteness, we will take our input to be a string from (H,P){sup +}, where P represents polar residues, and H represents hydrophobic residues. Dill et.al. survey the literature analyzing this model. 8 refs., 2 figs., 1 tab.

  20. Modeling three-dimensional network formation with an atomic lattice model: application to silicic acid polymerization.

    PubMed

    Jin, Lin; Auerbach, Scott M; Monson, Peter A

    2011-04-07

    We present an atomic lattice model for studying the polymerization of silicic acid in sol-gel and related processes for synthesizing silica materials. Our model is based on Si and O atoms occupying the sites of a body-centered-cubic lattice, with all atoms arranged in SiO(4) tetrahedra. This is the simplest model that allows for variation in the Si-O-Si angle, which is largely responsible for the versatility in silica polymorphs. The model describes the assembly of polymerized silica structures starting from a solution of silicic acid in water at a given concentration and pH. This model can simulate related materials-chalcogenides and clays-by assigning energy penalties to particular ring geometries in the polymerized structures. The simplicity of this approach makes it possible to study the polymerization process to higher degrees of polymerization and larger system sizes than has been possible with previous atomistic models. We have performed Monte Carlo simulations of the model at two concentrations: a low density state similar to that used in the clear solution synthesis of silicalite-1, and a high density state relevant to experiments on silica gel synthesis. For the high concentration system where there are NMR data on the temporal evolution of the Q(n) distribution, we find that the model gives good agreement with the experimental data. The model captures the basic mechanism of silica polymerization and provides quantitative structural predictions on ring-size distributions in good agreement with x-ray and neutron diffraction data.

  1. Numerical method based on the lattice Boltzmann model for the Fisher equation.

    PubMed

    Yan, Guangwu; Zhang, Jianying; Dong, Yinfeng

    2008-06-01

    In this paper, a lattice Boltzmann model for the Fisher equation is proposed. First, the Chapman-Enskog expansion and the multiscale time expansion are used to describe higher-order moment of equilibrium distribution functions and a series of partial differential equations in different time scales. Second, the modified partial differential equation of the Fisher equation with the higher-order truncation error is obtained. Third, comparison between numerical results of the lattice Boltzmann models and exact solution is given. The numerical results agree well with the classical ones.

  2. Tri-critical behavior of the Blume Capel model on a diamond lattice

    NASA Astrophysics Data System (ADS)

    Santos, Jander P.; Sá Barreto, F. C.; Rosa, D. S.

    2017-02-01

    The mean field approximation results are obtained in a five-site cluster on the diamond lattice from the Bogoliubov inequality. Spin correlation identities for the Blume-Capel model on diamond lattice are derived from a five-site cluster and used to obtain an effective field approximation. The free-energy, magnetization, critical frontiers and tricritical points are obtained from the mean field approximation and the effective field approximation and are compared to those obtained by other methods. From the mean-field approximation, we also studied the unstable and metastable states besides the stable states present in the model.

  3. Revised lattice Boltzmann model for traffic flow with equilibrium traffic pressure

    NASA Astrophysics Data System (ADS)

    Shi, Wei; Lu, Wei-Zhen; Xue, Yu; He, Hong-Di

    2016-02-01

    A revised lattice Boltzmann model concerning the equilibrium traffic pressure is proposed in this study to tackle the phase transition phenomena of traffic flow system. The traditional lattice Boltzmann model has limitation to investigate the complex traffic phase transitions due to its difficulty for modeling the equilibrium velocity distribution. Concerning this drawback, the equilibrium traffic pressure is taken into account to derive the equilibrium velocity distribution in the revised lattice Boltzmann model. In the proposed model, a three-dimensional velocity-space is assumed to determine the equilibrium velocity distribution functions and an alternative, new derivative approach is introduced to deduct the macroscopic equations with the first-order accuracy level from the lattice Boltzmann model. Based on the linear stability theory, the stability conditions of the corresponding macroscopic equations can be obtained. The outputs indicate that the stability curve is divided into three regions, i.e., the stable region, the neutral stability region, and the unstable region. In the stable region, small disturbance appears in the initial uniform flow and will vanish after long term evolution, while in the unstable region, the disturbance will be enlarged and finally leads to the traffic system entering the congested state. In the neutral stability region, small disturbance does not vanish with time and maintains its amplitude in the traffic system. Conclusively, the stability of traffic system is found to be enhanced as the equilibrium traffic pressure increases. Finally, the numerical outputs of the proposed model are found to be consistent with the recognized, theoretical results.

  4. Elemental and lattice-parameter mapping of binary oxide superlattices of (LaNiO3)4/(LaMnO3)2 at atomic resolution

    NASA Astrophysics Data System (ADS)

    Kwon, Ji-Hwan; Lu, Ping; Hoffman, Jason; Yuan, Renliang; Yoon, Aram; Bhattacharya, Anand; Zuo, Jian-Min

    2017-01-01

    We construct the elemental distribution and lattice strain maps from the measured atomic column positions in a (LaNiO3)4/(LaMnO3)2 superlattice over a large field of view. The correlation between the distribution of B-cations and the lattice parameter in the form of Vegard’s law is validated using atomic resolution energy dispersive x-ray spectroscopy (EDS). The maps show negligible Mn intermixing in the LaNiO3 layer, while Ni intermixing in the LaMnO3 layer improves away from the substrate interface to 9.5 atomic% from the 8th period onwards, indicating that the superlattice interfacial sharpness is established as the distance from the substrate increases. The maps allow an observation of the compositional defects of the B-sites, which is not possible by Z-contrast alone. Thus, this study demonstrates a promising approach for atomic scale correlative study of lattice strain and composition, and a method for the calibration of atomic resolution EDS maps.

  5. Lattice Boltzmann Modeling of Micro-fluidic Devices

    SciTech Connect

    Clague, D S

    2002-01-28

    The results to date do indeed show that the lattice Boltzmann method accurately solves relevant, non-trivial flow problems. The parallelization of both the fluid and the mobile species in flow has enhanced this capability such that it is useful for solving relevant problems in a timely fashion. The initial studies of stationary or capture species revealed evidence of hydrodynamic screening between upstream and downstream particles. Numerical studies reveal that the critical length for which the test particle is hydrodynamically decoupled from upstream and downstream particles is on the order of 30 sphere radii. For mobile species, the LB capability was shown to be naturally suited for predicting the hydrodynamic lift phenomenon (inertial lift). A conversion factor was developed based on scaling arguments to include relevant forces generated by external fields. Using this conversion, an analytic solution for the Dielectrophoretic force was included into the LB capability which enabled the study of Dielectrophoretic particle capture. The Non-Newtonian enhancements have expanded the applicability of the LB capability to more physical systems. Specifically, with the bead-n-spring representation of macromolecules researchers will be able to study chain dynamics in micro-, physiological and Bio-MEMS environments. Furthermore, the ability to capture the shear thinning behavior, without any increase in computational time, positions this capability to be applied to a whole host of new problems involving biofluids.

  6. Macroscopic surface tension in a lattice Bhatnagar-Gross-Krook model of two immiscible fluids

    NASA Astrophysics Data System (ADS)

    Halliday, I.; Thompson, S. P.; Care, C. M.

    1998-01-01

    We present a method by which an interface generating algorithm, similar to that of earlier lattice Boltzmann models of immiscible fluids, may be extended to a two component, two-speed two-dimensional (D2), nine-link (Q9) lattice Bhatnagar-Gross-Krook fluid. For two-dimensional, microcurrent-free planar interfaces between the two immiscible fluids we derive expressions for static interfacial tensions and interfacial distributions of the two fluids. Extending our analysis to curved interfaces, we propose a scheme for incorporating the influence of interfacial microcurrents that is based upon general symmetry arguments and is correct to second order in lattice velocity. The analysis demonstrates that the interfacial microcurrents have only second-order influence upon the macroscopic behavior of the model. We find good agreement between our calculations and simulation results based on the microcurrent stream function and surface tension results from the pressure tensor or Laplace law.

  7. Macroscopic Surface Tension in a Lattice Boltzmann BGK Model of Two Immiscible Fluids.

    NASA Astrophysics Data System (ADS)

    Thompson, S. P.; Halliday, I.; Care, C. M.

    1997-08-01

    We present a method by which an interface generating algorithm, similar to that of earlier lattice Boltzmann models of immisible fluids, may be extended to a two component, two-speed D2Q9 lattice Bhatnagar Gross Krook fluid. For two-dimensional, microcurrent-free planar interfaces between the two immiscible fluids we derive expressions for static interfacial tensions and interfacial distributions of the two fluids. Extending our analysis to curved interfaces we propose a scheme for incorporating the influence of interfacial microcurrents which is based upon general symmetry arguments and is correct to second order in lattice velocity. The analysis demonstrates that the interfacial microcurrents have only second order influence upon the macroscopic behaviour of the model. We find good agreement between our calculations and simulation results based on the microcurrent stream function and surface tension results from the pressure tensor or Laplace law.

  8. Structure optimization in a three-dimensional off-lattice protein model.

    PubMed

    Huang, Wenqi; Liu, Jingfa

    2006-06-05

    We studied a three-dimensional off-lattice AB model with two species of monomers, hydrophobic (A) and hydrophilic (B), and present two optimization algorithms: face-centered-cubic (FCC)-lattice pruned-enriched-Rosenbluth method (PERM) and subsequent conjugate gradient (PERM++) minimization and heuristic conjugate gradient (HCG) simulation based on "off-trap" strategy. In PERM++, we apply the PERM to the FCC-lattice to produce the initial conformation, and conjugate gradient minimization is then used to reach the minimum energy state. Both algorithms have been tested in the three-dimensional AB model for all sequences with lengths 13 < or = n < or = 55. The numerical results show that the proposed methods are very promising for finding the ground states of proteins. In several cases, we renew the putative ground states energy values.

  9. Lattice model theory of the equation of state covering the gas, liquid, and solid phases

    NASA Technical Reports Server (NTRS)

    Bonavito, N. L.; Tanaka, T.; Chan, E. M.; Horiguchi, T.; Foreman, J. C.

    1975-01-01

    The three stable states of matter and the corresponding phase transitions were obtained with a single model. Patterned after Lennard-Jones and Devonshires's theory, a simple cubic lattice model containing two fcc sublattices (alpha and beta) is adopted. The interatomic potential is taken to be the Lennard-Jones (6-12) potential. Employing the cluster variation method, the Weiss and the pair approximations on the lattice gas failed to give the correct phase diagrams. Hybrid approximations were devised to describe the lattice term in the free energy. A lattice vibration term corresponding to a free volume correction is included semi-phenomenologically. The combinations of the lattice part and the free volume part yield the three states and the proper phase diagrams. To determine the coexistence regions, the equalities of the pressure and Gibbs free energy per molecule of the coexisting phases were utilized. The ordered branch of the free energy gives rise to the solid phase while the disordered branch yields the gas and liquid phases. It is observed that the triple point and the critical point quantities, the phase diagrams and the coexistence regions plotted are in good agreement with the experimental values and graphs for argon.

  10. Renormalization-group approach to an Abelian sandpile model on planar lattices

    NASA Astrophysics Data System (ADS)

    Lin, Chai-Yu; Hu, Chin-Kun

    2002-08-01

    One important step in the renormalization-group (RG) approach to a lattice sandpile model is the exact enumeration of all possible toppling processes of sandpile dynamics inside a cell for RG transformations. Here we propose a computer algorithm to carry out such exact enumeration for cells of planar lattices in the RG approach to the Bak-Tang-Wiesenfeld sandpile model [Phys. Rev. Lett. 59, 381 (1987)] and consider both the reduced-high RG equations proposed by Pietronero, Vespignani, and Zapperi (PVZ) [Phys. Rev. Lett. 72, 1690 (1994)], and the real-height RG equations proposed by Ivashkevich [Phys. Rev. Lett. 76, 3368 (1996)]. Using this algorithm, we are able to carry out RG transformations more quickly with large cell size, e.g., 3×3 cell for the square (SQ) lattice in PVZ RG equations, which is the largest cell size at the present, and find some mistakes in a previous paper [Phys. Rev. E 51, 1711 (1995)]. For SQ and plane triangular (PT) lattices, we obtain the only attractive fixed point for each lattice and calculate the avalanche exponent τ and the dynamical exponent z. Our results suggest that the increase of the cell size in the PVZ RG transformation does not lead to more accurate results. The implication of such result is discussed.

  11. Free-energy analysis of spin models on hyperbolic lattice geometries.

    PubMed

    Serina, Marcel; Genzor, Jozef; Lee, Yoju; Gendiar, Andrej

    2016-04-01

    We investigate relations between spatial properties of the free energy and the radius of Gaussian curvature of the underlying curved lattice geometries. For this purpose we derive recurrence relations for the analysis of the free energy normalized per lattice site of various multistate spin models in the thermal equilibrium on distinct non-Euclidean surface lattices of the infinite sizes. Whereas the free energy is calculated numerically by means of the corner transfer matrix renormalization group algorithm, the radius of curvature has an analytic expression. Two tasks are considered in this work. First, we search for such a lattice geometry, which minimizes the free energy per site. We conjecture that the only Euclidean flat geometry results in the minimal free energy per site regardless of the spin model. Second, the relations among the free energy, the radius of curvature, and the phase transition temperatures are analyzed. We found out that both the free energy and the phase transition temperature inherit the structure of the lattice geometry and asymptotically approach the profile of the Gaussian radius of curvature. This achievement opens new perspectives in the AdS-CFT correspondence theories.

  12. Community Capacity and Resource Mapping: Model Development.

    ERIC Educational Resources Information Center

    Dedrick, Angie; Mitchell, Graham

    This document explains the use of a model for mapping community capacity and resources that was developed by the community development office of a health group in Edmonton, Alberta, and applied in a collaborative pilot project in preparation for development of a community health plan. A brief discussion of the factors leading to development of the…

  13. Determination of critical linear lattice size for the four dimensional Ising model on the Creutz cellular automaton

    NASA Astrophysics Data System (ADS)

    Kizilirmak, Ganimet Mülazımoğlu

    2015-12-01

    The four-dimensional Ising model is simulated on the Creutz cellular automaton (CCA) near the infinite-lattice critical temperature for the lattice with the linear dimension 4 ⩽ L ⩽ 22. The temperature dependence of Binder parameter ( g L) are analyzed for the lattice with the linear dimension 4 ⩽ L ⩽ 22. In this study conducted highly detailed, two different types of behavior were determined as a result of varying linear lattice dimension. The infinite lattice critical temperatures are obtained to be T c = 6.6845 ± 0.0005 in interval 4 ⩽ L ⩽ 12 and T c = 6.6807 ± 0.0024 in interval 14 ⩽ L ⩽ 22. The finite and infinite lattice critical exponents for the order parameter, the magnetic susceptibility and the specific heat are computed from the results of simulations by using finite-size scaling relations. Critical linear lattice size have been identified as L = 14.

  14. From Google Maps to Google Models (Invited)

    NASA Astrophysics Data System (ADS)

    Moore, R. V.

    2010-12-01

    Why hasn’t integrated modelling taken off? To its advocates, it is self-evidently the best and arguably the only tool available for understanding and predicting the likely response of the environment to events and policies. Legislation requires managers to ensure that their plans are sustainable. How, other than by modelling the interacting processes involved, can the option with the greatest benefits be identified? Integrated modelling (IM) is seen to have huge potential. In science, IM is used to extend and encapsulate our understanding of the whole earth system. Such models are beginning to be incorporated in operational decision support systems and used to seek sustainable solutions to society’s problems, but only on a limited scale. Commercial take up is negligible yet the opportunities would appear limitless. The need is there; the potential is there, so what is inhibiting IM’s take up? What must be done to reap the rewards of the R & D to date? To answer the question, it useful to look back at the developments which have seen paper maps evolve into Google Maps and the systems that now surround it; facilities available not just to experts and governments but to anyone with a an iphone and an internet connection. The initial objective was to automate the process of drawing lines on paper, though it was quickly realised that digitising maps was the key to unlocking the information they held. However, it took thousands of PhD and MSc projects before a computer could generate a map comparable to that produced by a cartographer and many more before it was possible to extract reliable useful information from maps. It also required advances in IT and a change of mindset from one focused on paper map production to one focused on information delivery. To move from digital maps to Google Maps required the availability of data on a world scale, the resources to bring them together, the development of remote sensing, satellite navigation and communications

  15. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry

    NASA Astrophysics Data System (ADS)

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-08-01

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems—metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  16. Theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry.

    PubMed

    Xue, Yang; He, Jing; Zhang, Xing-Hai; Kou, Su-Peng

    2015-09-09

    The Hubbard model is one of the most important models in condensed matter physics. In this paper, we developed a theory of ferrimagnetism in the Hubbard model on bipartite lattices with spectral symmetry. By taking three models as examples, we studied the ferrimagnetic orders that emerge from three typical fermionic systems--metal, semi-metal and (Chern) insulator. In particular, we found that there may exist various ferrimagnetic orders and explored the universal features.

  17. Mapping the q-voter model: From a single chain to complex networks

    NASA Astrophysics Data System (ADS)

    Jȩdrzejewski, Arkadiusz; Sznajd-Weron, Katarzyna; Szwabiński, Janusz

    2016-03-01

    We propose and compare six different ways of mapping the modified q-voter model to complex networks. Considering square lattices, Barabási-Albert, Watts-Strogatz and real Twitter networks, we ask the question if always a particular choice of the group of influence of a fixed size q leads to different behavior at the macroscopic level. Using Monte Carlo simulations we show that the answer depends on the relative average path length of the network and for real-life topologies the differences between the considered mappings may be negligible.

  18. Solution of the antiferromagnetic Ising model on a tetrahedron recursive lattice.

    PubMed

    Jurčišinová, E; Jurčišin, M

    2014-03-01

    We consider the antiferromagnetic spin-1/2 Ising model on the recursive tetrahedron lattice on which two elementary tetrahedrons are connected at each site. The model represents the simplest approximation of the antiferromagnetic Ising model on the real three-dimensional tetrahedron lattice which takes into account effects of frustration. An exact analytical solution of the model is found and discussed. It is shown that the model exhibits neither the first-order nor the second-order phase transitions. A detailed analysis of the magnetization of the model in the presence of the external magnetic field is performed and the existence of the magnetization plateaus for low temperatures is shown. All possible ground states of the model are found and discussed. The existence of nontrivial singular ground states is proven and exact explicit expressions for them are found.

  19. Landslide risk mapping and modeling in China

    NASA Astrophysics Data System (ADS)

    Li, W.; Hong, Y.

    2015-12-01

    Under circumstances of global climate change, tectonic stress and human effect, landslides are among the most frequent and severely widespread natural hazards on Earth, as demonstrated in the World Atlas of Natural Hazards (McGuire et al., 2004). Every year, landslide activities cause serious economic loss as well as casualties (Róbert et al., 2005). How landslides can be monitored and predicted is an urgent research topic of the international landslide research community. Particularly, there is a lack of high quality and updated landslide risk maps and guidelines that can be employed to better mitigate and prevent landslide disasters in many emerging regions, including China (Hong, 2007). Since the 1950s, landslide events have been recorded in the statistical yearbooks, newspapers, and monographs in China. As disasters have been increasingly concerned by the government and the public, information about landslide events is becoming available from online news reports (Liu et al., 2012).This study presents multi-scale landslide risk mapping and modeling in China. At the national scale, based on historical data and practical experiences, we carry out landslide susceptibility and risk mapping by adopting a statistical approach and pattern recognition methods to construct empirical models. Over the identified landslide hot-spot areas, we further evaluate the slope-stability for each individual site (Sidle and Hirotaka, 2006), with the ultimate goal to set up a space-time multi-scale coupling system of Landslide risk mapping and modeling for landslide hazard monitoring and early warning.

  20. How to approach continuum physics in the lattice Weinberg-Salam model

    SciTech Connect

    Zubkov, M. A.

    2010-11-01

    We investigate the lattice Weinberg-Salam model without fermions numerically for the realistic choice of coupling constants correspondent to the value of the Weinberg angle {theta}{sub W{approx}}30 deg., and bare fine structure constant around {alpha}{approx}(1/150). We consider the values of the scalar self-coupling corresponding to Higgs mass M{sub H{approx}}100, 150, 270 GeV. It has been found that nonperturbative effects become important while approaching continuum physics within the lattice model. When the ultraviolet cutoff {Lambda}=({pi}/a) (where a is the lattice spacing) is increased and achieves the value around 1 TeV, one encounters the fluctuational region (on the phase diagram of the lattice model), where the fluctuations of the scalar field become strong. The classical Nambu monopole can be considered as an embryo of the unphysical symmetric phase within the physical phase. In the fluctuational region quantum Nambu monopoles are dense, and therefore, the use of the perturbation expansion around the trivial vacuum in this region is limited. Further increase of the cutoff is accompanied by a transition to the region of the phase diagram, where the scalar field is not condensed (this happens at the value of {Lambda} around 1.4 TeV for the considered lattice sizes). Within this region further increase of the cutoff is possible, although we do not observe this in detail due to the strong fluctuations of the gauge boson correlator. Both above mentioned regions look unphysical. Therefore we come to the conclusion that the maximal value of the cutoff admitted within lattice electroweak theory cannot exceed the value of the order of 1 TeV.

  1. Hofstadter butterfly in the Falicov-Kimball model on some finite 2D lattices

    NASA Astrophysics Data System (ADS)

    Pradhan, Subhasree

    2016-12-01

    Spinless, interacting electrons on a finite size triangular lattice moving in an extremely strong perpendicular magnetic field are studied in comparison to a square lattice. Using a Falicov-Kimball model, the effects of Coulomb correlation, magnetic field and finite system size on their energy spectrum are observed. Exact diagonalization and Monte Carlo simulation methods (based on a modified Metropolis algorithm) have been employed to examine the recursive structure of the Hofstadter spectrum in the presence of several electronic correlation strengths for different system sizes. It is possible to introduce a gap in the density of states even in the absence of electron correlation, which is anticipated as a metal to insulator transition driven by an orbital magnetic field. With further inclusion of the interaction, the gap in the spectrum is modified and in some cases the correlation is found to suppress extra states manifested by the finite size effects. At a certain flux, the opened gap due to magnetic field is reduced by the Coulomb interaction. An orbital current is calculated for both the square and the triangular lattice with and without electron correlation. In the non-interacting limit, the bulk current shows several patterns, while the edge current shows oscillations with magnetic flux. The oscillations persist in the interacting limit for the square lattice, but not for the triangular lattice.

  2. Hofstadter butterfly in the Falicov-Kimball model on some finite 2D lattices.

    PubMed

    Pradhan, Subhasree

    2016-12-21

    Spinless, interacting electrons on a finite size triangular lattice moving in an extremely strong perpendicular magnetic field are studied in comparison to a square lattice. Using a Falicov-Kimball model, the effects of Coulomb correlation, magnetic field and finite system size on their energy spectrum are observed. Exact diagonalization and Monte Carlo simulation methods (based on a modified Metropolis algorithm) have been employed to examine the recursive structure of the Hofstadter spectrum in the presence of several electronic correlation strengths for different system sizes. It is possible to introduce a gap in the density of states even in the absence of electron correlation, which is anticipated as a metal to insulator transition driven by an orbital magnetic field. With further inclusion of the interaction, the gap in the spectrum is modified and in some cases the correlation is found to suppress extra states manifested by the finite size effects. At a certain flux, the opened gap due to magnetic field is reduced by the Coulomb interaction. An orbital current is calculated for both the square and the triangular lattice with and without electron correlation. In the non-interacting limit, the bulk current shows several patterns, while the edge current shows oscillations with magnetic flux. The oscillations persist in the interacting limit for the square lattice, but not for the triangular lattice.

  3. Self-consistent model of a solid for the description of lattice and magnetic properties

    NASA Astrophysics Data System (ADS)

    Balcerzak, T.; Szałowski, K.; Jaščur, M.

    2017-03-01

    In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting spins is assumed, which couples the magnetic and the lattice subsystem. The framework is based on summation of the Gibbs free energies for the lattice subsystem and magnetic subsystem. On the basis of minimization principle for the Gibbs energy, a set of equations of state for the system is derived. These equations of state combine the parameters describing the elastic properties (relative volume deformation) and the magnetic properties (magnetization changes). The formalism is extensively illustrated with the numerical calculations performed for a system of ferromagnetically coupled spins S=1/2 localized at the sites of simple cubic lattice. In particular, the significant influence of the magnetic subsystem on the elastic properties is demonstrated. It manifests itself in significant modification of such quantities as the relative volume deformation, thermal expansion coefficient or isothermal compressibility, in particular, in the vicinity of the magnetic phase transition. On the other hand, the influence of lattice subsystem on the magnetic one is also evident. It takes, for example, the form of dependence of the critical (Curie) temperature and magnetization itself on the external pressure, which is thoroughly investigated.

  4. Height probabilities in the Abelian sandpile model on the generalized finite Bethe lattice

    NASA Astrophysics Data System (ADS)

    Chen, Haiyan; Zhang, Fuji

    2013-08-01

    In this paper, we study the sandpile model on the generalized finite Bethe lattice with a particular boundary condition. Using a combinatorial method, we give the exact expressions for all single-site probabilities and some two-site joint probabilities. As a by-product, we prove that the height probabilities of bulk vertices are all the same for the Bethe lattice with certain given boundary condition, which was found from numerical evidence by Grassberger and Manna ["Some more sandpiles," J. Phys. (France) 51, 1077-1098 (1990)], 10.1051/jphys:0199000510110107700 but without a proof.

  5. Hamiltonian Lattice Studies of Pionic Collective Excitations in the Non-linear Sigma Model

    NASA Astrophysics Data System (ADS)

    Chin, Siu A.

    2001-04-01

    The latticization of the non-linear sigma model reduces a chiral meson field theory to an O(4) spin system with quantum fluctuations. By solving the resulting lattice Hamiltonian by Monte Carlo methods, the dynamics and thermodynamics of pions can be determined non-perturbatively. In particular, the mas gap of pionic collective excitations with quantum number of vector mesons can be determined as the chiral phase transition is approached. Results based on a newly discovered 4th order method of solving for the ground state of a quantum many-body Hamitonian will be presented.

  6. Solitons of the Kadomtsev-Petviashvili equation based on lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Wang, Huimin

    2017-01-01

    In this paper, a lattice Boltzmann model for the Kadomtsev-Petviashvili equation is proposed. By using the Chapman-Enskog expansion and the multi-scale time expansion, a series of partial differential equations in different time scales are obtained. Due to the asymmetry in x direction and y direction of the equation, the moments of the equilibrium distribution function are selected are asymmetric. The numerical results demonstrate the lattice Boltzmann method is an effective method to simulate the solitons of the Kadomtsev-Petviashvili equation.

  7. Apparently noninvariant terms of nonlinear sigma models in lattice perturbation theory

    SciTech Connect

    Harada, Koji; Hattori, Nozomu; Kubo, Hirofumi; Yamamoto, Yuki

    2009-03-15

    Apparently noninvariant terms (ANTs) that appear in loop diagrams for nonlinear sigma models are revisited in lattice perturbation theory. The calculations have been done mostly with dimensional regularization so far. In order to establish that the existence of ANTs is independent of the regularization scheme, and of the potential ambiguities in the definition of the Jacobian of the change of integration variables from group elements to 'pion' fields, we employ lattice regularization, in which everything (including the Jacobian) is well defined. We show explicitly that lattice perturbation theory produces ANTs in the four-point functions of the pion fields at one-loop and the Jacobian does not play an important role in generating ANTs.

  8. An alternative order-parameter for non-equilibrium generalized spin models on honeycomb lattices

    NASA Astrophysics Data System (ADS)

    Sastre, Francisco; Henkel, Malte

    2016-04-01

    An alternative definition for the order-parameter is proposed, for a family of non-equilibrium spin models with up-down symmetry on honeycomb lattices, and which depends on two parameters. In contrast to the usual definition, our proposal takes into account that each site of the lattice can be associated with a local temperature which depends on the local environment of each site. Using the generalised voter motel as a test case, we analyse the phase diagram and the critical exponents in the stationary state and compare the results of the standard order-parameter with the ones following from our new proposal, on the honeycomb lattice. The stationary phase transition is in the Ising universality class. Finite-size corrections are also studied and the Wegner exponent is estimated as ω =1.06(9).

  9. O(n) model on a fluctuating planar lattice. Some exact results

    NASA Astrophysics Data System (ADS)

    Gaudin, M.; Kostov, I.

    1989-03-01

    The O(n) model on a planar random lattice with fluctuating geometry has been reformulated by one of us as a random matrix problem. Here we find the exact form of the spectral density of the random matrix along the critical line. Address after November 1988: Institute for Nuclear Research and Nuclear Energy, 72 Boulevard Lenin, 1784 Sofia, Bulgaria.

  10. A phase-field model coupled with lattice kinetics solver for modeling crystal growth in furnaces

    SciTech Connect

    Lin, Guang; Bao, Jie; Xu, Zhijie; Tartakovsky, Alexandre M.; Henager, Charles H.

    2014-02-02

    In this study, we present a new numerical model for crystal growth in a vertical solidification system. This model takes into account the buoyancy induced convective flow and its effect on the crystal growth process. The evolution of the crystal growth interface is simulated using the phase-field method. Two novel phase-field models are developed to model the crystal growth interface in vertical gradient furnaces with two temperature profile setups: 1) fixed wall temperature profile setup and 2) time-dependent temperature profile setup. A semi-implicit lattice kinetics solver based on the Boltzmann equation is employed to model the unsteady incompressible flow. This model is used to investigate the effect of furnace operational conditions on crystal growth interface profiles and growth velocities. For a simple case of macroscopic radial growth, the phase-field model is validated against an analytical solution. Crystal growth in vertical gradient furnaces with two temperature profile setups have been also investigated using the developed model. The numerical simulations reveal that for a certain set of temperature boundary conditions, the heat transport in the melt near the phase interface is diffusion dominant and advection is suppressed.

  11. Modeling geologic history with balanced paleogeographic maps

    SciTech Connect

    Shaw, C.A.; Hay, W.W.

    1987-05-01

    Using the principles of uniformitarianism, mass balance, and sedimentary cycling, an erosion-sedimentation-tectonic model has been developed to produce paleogeographic maps to describe the geologic history of the northwest Gulf of Mexico and the Western Interior source areas. The initial inputs are (1) boundaries of the sedimentary system (source and sink); (2) present-day average elevation of 1/sup 0/ squares within the boundaries; and (3) a stratigraphic column for each 1/sup 0/ square. Paleotopography is calculated by an iterative process involving replacement of sediment to the source area and calculation of erosion and uplift rates. The maps are considered properly balanced when erosion of the predicted paleotopography over a given time interval yields the correct sediment volumes in the right places. As far back as the latest Cretaceous, the paleogeography predicted by the model is remarkably close to that suggested by other studies even though no external information on tectonics is supplied. For paleogeographies older than Campanian, input on tectonics outside the boundaries is required to generate realistic maps. The balanced paleogeographic maps are a new tool useful for exploring many aspects of basin development, including thermal history.

  12. A classical simulation of nonlinear Jaynes-Cummings and Rabi models in photonic lattices: comment.

    PubMed

    Lo, C F

    2014-01-27

    Recently Rodriguez-Lara et al. [Opt. Express 21(10), 12888 (2013)] proposed a classical simulation of the dynamics of the nonlinear Rabi model by propagating classical light fields in a set of two photonic lattices. However, the nonlinear Rabi model has already been rigorously proven to be undefined by Lo [Quantum Semiclass. Opt. 10, L57 (1998)]. Hence, the proposed classical simulation is actually not applicable to the nonlinear Rabi model and the simulation results are completely invalid.

  13. Equivalent Continuum Finite Element Modelling of Plate-Like Space Lattice Structures.

    DTIC Science & Technology

    1985-08-01

    regulation cost of the structure as a function of the structural design parameters. A micropolar plate continuum model of large plate-like repetitive space...lattice structures with rigid joints is derived. A plate finite element is derived based on this continuum model with micropolar rotations and transverse...by rigid joints which makes use of the higher order micropolar beam continuum formulation. 8 Detailed Models For this research the baseline against

  14. 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

    in this issue by Duminil-Copin to prove the divergence of the correlation length for the Potts model (in its formulation in terms of Fortuin-Kasteleyn clusters) when 1 <= q <= 4 [48]. Establishing the phase diagrams of lattice models is a recurrent theme in Wu's works. In an interesting but little-known work from 2000 with Guo and Blöte [30], he has shown that, contrary to common belief, the O(n) model on the honeycomb lattice has a second-order phase transition for n > 2. The question of phase diagrams for O(n)-type models is taken up in this issue by Blöte, Wang and Guo8 [49]. In 1983-84, Wu joined the National Science Foundation as the Director of the Condensed Matter Theory Program for 18 months. His duty was managing funding to individual researchers in condensed matter theory in the US. The 18-month tour in Washington offered Wu a bird's-eye view of condensed matter physics research in US universities, an understanding that proved useful to his later researches. Throughout his career, Wu has insisted on the general applicability of graphical analysis to a variety of lattices. This aspect was highlighted in his 1988 paper on the Potts model and graph theory [31], in which he derived a number of equivalences with (di)chromatic and flow polynomials on arbitrary planar graphs, both for the partition function and correlation functions. An earlier result in the same vein is the equivalence of the Potts model on a planar graph with a loop model on the corresponding medial graph, found in 1976 in collaboration with Baxter and Kelland [15]. Building on these results, and on recent progress in the combinatorial approach to planar maps, Borot, Bouttier and Guitter systematically investigate properties of percolation and Potts models on random planar maps in their contribution to this issue [50]. Wu has published extensively on dimer enumerations. His work includes exact enumerations on non-orientable surfaces and surfaces with a single boundary defect. In this issue, Lu

  15. Monte Carlo Calculation of the Linear Resistance of a Three Dimensional Lattice superconductor Model in the London Limit

    SciTech Connect

    Weber, H.; Jensen, H.J.

    1997-03-01

    We have studied the linear resistance of a three dimensional lattice superconductor model in the London limit by Monte Carlo simulation of the vortex loop dynamics. We find excellent finite size scaling at the phase transition. We determine the dynamical exponent z=1.51 for the isotropic London lattice model. {copyright} {ital 1997} {ital The American Physical Society}

  16. Efficient chain moves for Monte Carlo simulations of a wormlike DNA model: excluded volume, supercoils, site juxtapositions, knots, and comparisons with random-flight and lattice models.

    PubMed

    Liu, Zhirong; Chan, Hue Sun

    2008-04-14

    We develop two classes of Monte Carlo moves for efficient sampling of wormlike DNA chains that can have significant degrees of supercoiling, a conformational feature that is key to many aspects of biological function including replication, transcription, and recombination. One class of moves entails reversing the coordinates of a segment of the chain along one, two, or three axes of an appropriately chosen local frame of reference. These transformations may be viewed as a generalization, to the continuum, of the Madras-Orlitsky-Shepp algorithm for cubic lattices. Another class of moves, termed T+/-2, allows for interconversions between chains with different lengths by adding or subtracting two beads (monomer units) to or from the chain. Length-changing moves are generally useful for conformational sampling with a given site juxtaposition, as has been shown in previous lattice studies. Here, the continuum T+/-2 moves are designed to enhance their acceptance rate in supercoiled conformations. We apply these moves to a wormlike model in which excluded volume is accounted for by a bond-bond repulsion term. The computed autocorrelation functions for the relaxation of bond length, bond angle, writhe, and branch number indicate that the new moves lead to significantly more efficient sampling than conventional bead displacements and crankshaft rotations. A close correspondence is found in the equilibrium ensemble between the map of writhe computed for pair of chain segments and the map of site juxtapositions or self-contacts. To evaluate the more coarse-grained freely jointed chain (random-flight) and cubic lattice models that are commonly used in DNA investigations, twisting (torsional) potentials are introduced into these models. Conformational properties for a given superhelical density sigma may then be sampled by computing the writhe and using White's formula to relate the degree of twisting to writhe and sigma. Extensive comparisons of contact patterns and knot

  17. Finding low-energy conformations of lattice protein models by quantum annealing

    PubMed Central

    Perdomo-Ortiz, Alejandro; Dickson, Neil; Drew-Brook, Marshall; Rose, Geordie; Aspuru-Guzik, Alán

    2012-01-01

    Lattice protein folding models are a cornerstone of computational biophysics. Although these models are a coarse grained representation, they provide useful insight into the energy landscape of natural proteins. Finding low-energy threedimensional structures is an intractable problem even in the simplest model, the Hydrophobic-Polar (HP) model. Description of protein-like properties are more accurately described by generalized models, such as the one proposed by Miyazawa and Jernigan (MJ), which explicitly take into account the unique interactions among all 20 amino acids. There is theoretical and experimental evidence of the advantage of solving classical optimization problems using quantum annealing over its classical analogue (simulated annealing). In this report, we present a benchmark implementation of quantum annealing for lattice protein folding problems (six different experiments up to 81 superconducting quantum bits). This first implementation of a biophysical problem paves the way towards studying optimization problems in biophysics and statistical mechanics using quantum devices. PMID:22891157

  18. Cluster density functional theory for lattice models based on the theory of Möbius functions

    NASA Astrophysics Data System (ADS)

    Lafuente, Luis; Cuesta, José A.

    2005-08-01

    Rosenfeld's fundamental-measure theory for lattice models is given a rigorous formulation in terms of the theory of Möbius functions of partially ordered sets. The free-energy density functional is expressed as an expansion in a finite set of lattice clusters. This set is endowed with a partial order, so that the coefficients of the cluster expansion are connected to its Möbius function. Because of this, it is rigorously proven that a unique such expansion exists for any lattice model. The low-density analysis of the free-energy functional motivates a redefinition of the basic clusters (zero-dimensional cavities) which guarantees a correct zero-density limit of the pair and triplet direct correlation functions. This new definition extends Rosenfeld's theory to lattice models with any kind of short-range interaction (repulsive or attractive, hard or soft, one or multicomponent ...). Finally, a proof is given that these functionals have a consistent dimensional reduction, i.e. the functional for dimension d' can be obtained from that for dimension d (d' < d) if the latter is evaluated at a density profile confined to a d'-dimensional subset.

  19. Conformal map transformations for meteorological modelers

    NASA Astrophysics Data System (ADS)

    Taylor, Albion D.

    1997-02-01

    This paper describes a utility function library which meteorological computer modelers can incorporate in their programs to provide the mathematical transformations of conformai maps that their models may need. In addition to coordinate transformations, routines supply projection-dependent terms of the governing equations, wind component conversions, and rotation axis orientation components. The routines seamlessly handle the transitions from Polar Stereographic through Lambert Conformai to Mercator projections. Initialization routines allow concurrent handling of multiple projections, and allow a simple method of defining computational model grids to the software.

  20. The Lunar Mapping and Modeling Project

    NASA Technical Reports Server (NTRS)

    Nall, M.; French, R.; Noble, S.; Muery, K.

    2010-01-01

    The Lunar Mapping and Modeling Project (LMMP) is managing a suite of lunar mapping and modeling tools and data products that support lunar exploration activities, including the planning, de-sign, development, test, and operations associated with crewed and/or robotic operations on the lunar surface. Although the project was initiated primarily to serve the needs of the Constellation program, it is equally suited for supporting landing site selection and planning for a variety of robotic missions, including NASA science and/or human precursor missions and commercial missions such as those planned by the Google Lunar X-Prize participants. In addition, LMMP should prove to be a convenient and useful tool for scientific analysis and for education and public out-reach (E/PO) activities.

  1. The Lunar Mapping and Modeling Project

    NASA Technical Reports Server (NTRS)

    Noble, Sarah K.; French, R. A.; Nall, M. E.; Muery, K. G.

    2009-01-01

    The Lunar Mapping and Modeling Project (LMMP) has been created to manage the development of a suite of lunar mapping and modeling products that support the Constellation Program (CxP) and other lunar exploration activities, including the planning, design, development, test and operations associated with lunar sortie missions, crewed and robotic operations on the surface, and the establishment of a lunar outpost. The information provided through LMMP will assist CxP in: planning tasks in the areas of landing site evaluation and selection, design and placement of landers and other stationary assets, design of rovers and other mobile assets, developing terrain-relative navigation (TRN) capabilities, and assessment and planning of science traverses.

  2. Frustrated Ising model on the Cairo pentagonal lattice.

    PubMed

    Rojas, M; Rojas, Onofre; de Souza, S M

    2012-11-01

    Through the direct decoration transformation approach, we obtain a general solution for the pentagonal Ising model, showing its equivalence to the isotropic free-fermion eight-vertex model. We study the ground-state phase diagram, in which one ferromagnetic (FM) state, one ferrimagnetic (FIM) state, and one frustrated state are found. Using the exact solution of the pentagonal Ising model, we discuss the finite-temperature phase diagrams and find a phase transition between the FIM state and the disordered state as well as a phase transition between the disordered state and the FM state. We also discuss some additional remarkable properties of the model, such as the magnetization, entropy, and specific heat, at finite temperature and at its low-temperature asymptotic limit. Because of the influence of the second-order phase transition between the frustrated and ferromagnetic phases, we obtain surprisingly low values of the entropy and the specific heat until the critical temperature is reached.

  3. System Identification of a Vortex Lattice Aerodynamic Model

    NASA Technical Reports Server (NTRS)

    Juang, Jer-Nan; Kholodar, Denis; Dowell, Earl H.

    2001-01-01

    The state-space presentation of an aerodynamic vortex model is considered from a classical and system identification perspective. Using an aerodynamic vortex model as a numerical simulator of a wing tunnel experiment, both full state and limited state data or measurements are considered. Two possible approaches for system identification are presented and modal controllability and observability are also considered. The theory then is applied to the system identification of a flow over an aerodynamic delta wing and typical results are presented.

  4. Neutron diffraction measurements and micromechanical modelling of temperature-dependent variations in TATB lattice parameters

    SciTech Connect

    Yeager, John D.; Luscher, Darby J.; Vogel, Sven C.; Clausen, Bjorn; Brown, Donald W.

    2016-02-02

    Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion (“ratchet growth”) when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literature as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Lastly, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research.

  5. Neutron diffraction measurements and micromechanical modelling of temperature-dependent variations in TATB lattice parameters

    DOE PAGES

    Yeager, John D.; Luscher, Darby J.; Vogel, Sven C.; ...

    2016-02-02

    Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion (“ratchet growth”) when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literaturemore » as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Lastly, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research.« less

  6. Spin-1/2 kagome XXZ model in a field: Competition between lattice nematic and solid orders

    NASA Astrophysics Data System (ADS)

    Kshetrimayum, Augustine; Picot, Thibaut; Orús, Román; Poilblanc, Didier

    2016-12-01

    We study numerically the spin-1/2 XXZ model in a field on an infinite kagome lattice. We use different algorithms based on infinite projected entangled pair states (iPEPSs) for this, namely, (i) an approach with simplex tensors and a 9-site unit cell, and (ii) an approach based on coarse-graining three spins in the kagome lattice and mapping it to a square-lattice model with local and nearest-neighbor interactions, with the usual PEPS tensors, 6- and 12-site unit cells. Similarly to our previous calculation at the SU(2)-symmetric point (Heisenberg Hamiltonian), for any anisotropy from the Ising limit to the XY limit, we also observe the emergence of magnetization plateaus as a function of the magnetic field, at mz=1/3 using 6-, 9-, and 12-site PEPS unit cells, and at mz=1/9 ,5/9 , and 7/9 using a 9-site PEPS unit cell, the latter setup being able to accommodate √{3 }×√{3 } solid order. We also find that, at mz=1/3 , (lattice) nematic and √{3 }×√{3 } VBC-order states are degenerate within the accuracy of the nine-site simplex method, for all anisotropy. The 6- and 12-site coarse-grained PEPS methods produce almost-degenerate nematic and 1 ×2 VBC-solid orders. We also find that, within our accuracy, the six-site coarse-grained PEPS method gives slightly lower energies, which can be explained by the larger amount of entanglement this approach can handle, even in cases where the PEPS unit cell is not commensurate with the expected ground-state unit cell. Furthermore, we do not observe chiral spin liquid behaviors at and close to the XY point, as has been recently proposed. Our results are the first tensor network investigations of the XXZ model in a field and reveal the subtle competition between nearby magnetic orders in numerical simulations of frustrated quantum antiferromagnets, as well as the delicate interplay between energy optimization and symmetry in tensor network numerical simulations.

  7. Application of Transfer Matrix Approach to Modeling and Decentralized Control of Lattice-Based Structures

    NASA Technical Reports Server (NTRS)

    Cramer, Nick; Swei, Sean Shan-Min; Cheung, Kenny; Teodorescu, Mircea

    2015-01-01

    This paper presents a modeling and control of aerostructure developed by lattice-based cellular materials/components. The proposed aerostructure concept leverages a building block strategy for lattice-based components which provide great adaptability to varying ight scenarios, the needs of which are essential for in- ight wing shaping control. A decentralized structural control design is proposed that utilizes discrete-time lumped mass transfer matrix method (DT-LM-TMM). The objective is to develop an e ective reduced order model through DT-LM-TMM that can be used to design a decentralized controller for the structural control of a wing. The proposed approach developed in this paper shows that, as far as the performance of overall structural system is concerned, the reduced order model can be as e ective as the full order model in designing an optimal stabilizing controller.

  8. The Lattice and Thermal Radiation Conductivity of Thermal Barrier Coatings: Models and Experiments

    NASA Technical Reports Server (NTRS)

    Zhu, Dongming; Spuckler, Charles M.

    2010-01-01

    The lattice and radiation conductivity of ZrO2-Y2O3 thermal barrier coatings was evaluated using a laser heat flux approach. A diffusion model has been established to correlate the coating apparent thermal conductivity to the lattice and radiation conductivity. The radiation conductivity component can be expressed as a function of temperature, coating material scattering, and absorption properties. High temperature scattering and absorption of the coating systems can be also derived based on the testing results using the modeling approach. A comparison has been made for the gray and nongray coating models in the plasma-sprayed thermal barrier coatings. The model prediction is found to have a good agreement with experimental observations.

  9. Lattice Boltzmann simulations of the permeability and capillary adsorption of cement model microstructures

    SciTech Connect

    Zalzale, M.; McDonald, P.J.

    2012-12-15

    The lattice Boltzmann method is used to investigate the permeability of microstructures of cement pastes generated using the numerical models CEMHYD3D (Bentz, 1997) and {mu}IC (Bishnoi and Scrivener, 2009). Results are reported as a function of paste water-to-cement ratio and degree of hydration. The permeability decreases with increasing hydration and decreasing water-to-cement ratio in agreement with experiment. However the permeability is larger than the experimental data recorded using beam bending methods (Vichit-Vadakan and Scherer, 2002). Notwithstanding, the lattice Boltzmann results compare favourably with alternate numerical methods of permeability calculation for cement model microstructures. In addition, we show early results for the liquid/vapour capillary adsorption and desorption isotherms in the same model {mu}IC structures. The broad features of the experimental capillary porosity isotherm are reproduced, although further work is required to adequately parameterise the model.

  10. Distortion-rate models for entropy-coded lattice vector quantization.

    PubMed

    Raffy, P; Antonini, M; Barlaud, M

    2000-01-01

    The increasing demand for real-time applications requires the use of variable-rate quantizers having good performance in the low bit rate domain. In order to minimize the complexity of quantization, as well as maintaining a reasonably high PSNR ratio, we propose to use an entropy-coded lattice vector quantizer (ECLVQ). These quantizers have proven to outperform the well-known EZW algorithm's performance in terms of rate-distortion tradeoff. In this paper, we focus our attention on the modeling of the mean squared error (MSE) distortion and the prefix code rate for ECLVQ. First, we generalize the distortion model of Jeong and Gibson (1993) on fixed-rate cubic quantizers to lattices under a high rate assumption. Second, we derive new rate models for ECLVQ, efficient at low bit rates without any high rate assumptions. Simulation results prove the precision of our models.

  11. Study of acoustic bubble cluster dynamics using a lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Daemi, Mahdi; Taeibi-Rahni, Mohammad; Massah, Hamidreza

    2015-02-01

    The search for the development of a reliable mathematical model for understanding bubble dynamics behavior is an ongoing endeavor. A long list of complex phenomena underlies the physics of this problem. In the past decades, the lattice Boltzmann method has emerged as a promising tool to address such complexities. In this regard, we have applied a 121-velocity multiphase lattice Boltzmann model to an asymmetric cluster of bubbles in an acoustic field. A problem as a benchmark is studied to check the consistency and applicability of the model. The problem of interest is to study the deformation and coalescence phenomena in bubble cluster dynamics, as well as the screening effect on an acoustic multi-bubble medium. It has been observed that the LB model is able to simulate the combination of the three aforementioned phenomena for a bubble cluster as a whole and for every individual bubble in the cluster.

  12. Artificial topological models based on a one-dimensional spin-dependent optical lattice

    NASA Astrophysics Data System (ADS)

    Zheng, Zhen; Pu, Han; Zou, Xubo; Guo, Guangcan

    2017-01-01

    Topological matter is a popular topic in both condensed matter and cold-atom research. In the past decades, a variety of models have been identified with fascinating topological features. Some, but not all, of the models can be found in materials. As a fully controllable system, cold atoms trapped in optical lattices provide an ideal platform to simulate and realize these topological models. Here we present a proposal for synthesizing topological models in cold atoms based on a one-dimensional spin-dependent optical lattice potential. In our system, features such as staggered tunneling, staggered Zeeman field, nearest-neighbor interaction, beyond-near-neighbor tunneling, etc. can be readily realized. They underlie the emergence of various topological phases. Our proposal can be realized with current technology and hence has potential applications in quantum simulation of topological matter.

  13. Critical behavior of a lattice prey-predator model.

    PubMed

    Antal, T; Droz, M; Lipowski, A; Odor, G

    2001-09-01

    The critical properties of a simple prey-predator model are revisited. For some values of the control parameters, the model exhibits a line of directed percolationlike transitions to a single absorbing state. For other values of the control parameters one finds a second line of continuous transitions toward an infinite number of absorbing states, and the corresponding steady-state exponents are mean-field-like. The critical behavior of the special point T (bicritical point), where the two transition lines meet, belongs to a different universality class. A particular strategy for preparing the initial states used for the dynamical Monte Carlo method is devised to correctly describe the physics of the system near the second transition line. Relationships with a forest fire model with immunization are also discussed.

  14. 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.

  15. A classical simulation of nonlinear Jaynes-Cummings and Rabi models in photonic lattices.

    PubMed

    Rodríguez-Lara, B M; Soto-Eguibar, Francisco; Cárdenas, Alejandro Zárate; Moya-Cessa, H M

    2013-05-20

    The interaction of a two-level atom with a single-mode quantized field is one of the simplest models in quantum optics. Under the rotating wave approximation, it is known as the Jaynes-Cummings model and without it as the Rabi model. Real-world realizations of the Jaynes-Cummings model include cavity, ion trap and circuit quantum electrodynamics. The Rabi model can be realized in circuit quantum electrodynamics. As soon as nonlinear couplings are introduced, feasible experimental realizations in quantum systems are drastically reduced. We propose a set of two photonic lattices that classically simulates the interaction of a single two-level system with a quantized field under field nonlinearities and nonlinear couplings as long as the quantum optics model conserves parity. We describe how to reconstruct the mean value of quantum optics measurements, such as photon number and atomic energy excitation, from the intensity and from the field, such as von Neumann entropy and fidelity, at the output of the photonic lattices. We discuss how typical initial states involving coherent or displaced Fock fields can be engineered from recently discussed Glauber-Fock lattices. As an example, the Buck-Sukumar model, where the coupling depends on the intensity of the field, is classically simulated for separable and entangled initial states.

  16. Finite lattice model for molecular aggregation equilibria. Boolean statistics, analytical approximations, and the macroscopic limit.

    PubMed

    Rankin, Blake M; Ben-Amotz, Dor; Widom, B

    2015-09-14

    Molecular processes, ranging from hydrophobic aggregation and protein binding to mesoscopic self-assembly, are typically driven by a delicate balance of energetic and entropic non-covalent interactions. Here, we focus on a broad class of such processes in which multiple ligands bind to a central solute molecule as a result of solute-ligand (direct) and/or ligand-ligand (cooperative) interaction energies. Previously, we described a weighted random mixing (WRM) mean-field model for such processes and compared the resulting adsorption isotherms and aggregate size distributions with exact finite lattice (FL) predictions, for lattices with up to n = 20 binding sites. Here, we compare FL predictions obtained using both Bethe-Guggenheim (BG) and WRM approximations, and find that the latter two approximations are complementary, as they are each most accurate in different aggregation regimes. Moreover, we describe a computationally efficient method for exhaustively counting nearest neighbors in FL configurations, thus making it feasible to obtain FL predictions for systems with up n = 48 binding sites, whose properties approach the thermodynamic (infinite lattice) limit. We further illustrate the applicability of our results by comparing lattice model and molecular dynamics simulation predictions pertaining to the aggregation of methane around neopentane.

  17. Deformed Matrix Models, Supersymmetric Lattice Twists and N=1/4 Supersymmetry

    SciTech Connect

    Unsal, Mithat

    2008-09-24

    A manifestly supersymmetric nonperturbative matrix regularization for a twisted version of N = (8, 8) theory on a curved background (a two-sphere) is constructed. Both continuum and the matrix regularization respect four exact scalar supersymmetries under a twisted version of the supersymmetry algebra. We then discuss a succinct Q = 1 deformed matrix model regularization of N = 4 SYM in d = 4, which is equivalent to a non-commutative A*{sub 4} orbifold lattice formulation. Motivated by recent progress in supersymmetric lattices, we also propose a N = 1/4 supersymmetry preserving deformation of N = 4 SYM theory on R{sup 4}. In this class of N = 1/4 theories, both the regularized and continuum theory respect the same set of (scalar) supersymmetry. By using the equivalence of the deformed matrix models with the lattice formulations, we give a very simple physical argument on why the exact lattice supersymmetry must be a subset of scalar subalgebra. This argument disagrees with the recent claims of the link approach, for which we give a new interpretation.

  18. A lattice Boltzmann model for multiphase flows with large density ratio

    NASA Astrophysics Data System (ADS)

    Zheng, H. W.; Shu, C.; Chew, Y. T.

    2006-10-01

    A lattice Boltzmann model for simulating multiphase flows with large density ratios is described in this paper. The method is easily implemented. It does not require solving the Poisson equation and does not involve the complex treatments of derivative terms. The interface capturing equation is recovered without any additional terms as compared to other methods [M.R. Swift, W.R. Osborn, J.M. Yeomans, Lattice Boltzmann simulation of liquid-gas and binary fluid systems, Phys. Rev. E 54 (1996) 5041-5052; T. Inamuro, T. Ogata, S. Tajima, N. Konishi, A lattice Boltzmann method for incompressible two-phase flows with large density differences, J. Comput. Phys. 198 (2004) 628-644; T. Lee, C.-L. Lin, A stable discretization of the lattice Boltzmann equation for simulation of incompressible two-phase flows at high density ratio, J. Comput. Phys. 206 (2005) 16-47]. Besides, it requires less discrete velocities. As a result, its efficiency could be greatly improved, especially in 3D applications. It is validated by several cases: a bubble in a stationary flow and the capillary wave. The numerical surface tension obtained from the Laplace law and the interface profile agrees very well with the respective analytical solution. The method is further verified by its application to capillary wave and the bubble rising under buoyancy with comparison to other methods. All the numerical experiments show that the present approach can be used to model multiphase flows with large density ratios.

  19. Modeling Finite Deformations in Trigonal Ceramic Crystals with Lattice Defects

    DTIC Science & Technology

    2010-02-08

    International Journal of Plasticity 26 (2010) 1357–1386 1385Farber, Y.A., Yoon, S.Y., Lagerlof, K.P.D., Heuer, A.H., 1993. Microplasticity during high... microplasticity -induced deformation in uniaxially strained ceramics by 3-D Voronoi polycrystal modeling. Int. J. Plast. 21, 801–834. Zhang, C., Kalia, R.K

  20. Phase diagram of the Kondo lattice model with a superlattice potential

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    2016-02-01

    We study the ground state of a Kondo lattice model where the free carries undergo a superlattice potential. Using the density matrix renormalization group method, we establish that the model exhibits a ferromagnetic phase and spiral phase whose boundaries in the phase diagram depend on the depth of the potential. Also, we observed that the spiral to ferromagnetic quantum phase transition can be tuned by changing the local coupling or the superlattice strength.

  1. Magnetic frustration in the three-band Anderson lattice model for high-temperature superconductors

    SciTech Connect

    Ihle, D.; Kasner, M. )

    1990-09-01

    The three-band Anderson lattice model for the CuO{sub 2} planes in high-{Tc} superconductors is established. Treating this model by perturbation theory, the effective spin interactions are derived. The antiferromagnetic superexchange integrals are calculated as functions of the direct oxygen transfer and the hole concentration. It is found that frustration in the superexchange occurs, even in the undoped case, which increases with oxygen trnasfer and decreases with hole concentration.

  2. Nonequilibrium random-field Ising model on a diluted triangular lattice.

    PubMed

    Kurbah, Lobisor; Thongjaomayum, Diana; Shukla, Prabodh

    2015-01-01

    We study critical hysteresis in the random-field Ising model on a two-dimensional periodic lattice with a variable coordination number z(eff) in the range 3≤z(eff)≤6. We find that the model supports critical behavior in the range 4

  3. Green function method study of the anisotropic ferromagnetic Heisenberg model on a square lattice

    NASA Astrophysics Data System (ADS)

    Hu, Ai-Yuan; Chen, Yuan

    2008-06-01

    We study the phase diagram of the anisotropic ferromagnetic Heisenberg model on a square lattice. We use the double-time Green’s function method within the Callen decoupling approximation. The dependence of the Curie temperature Tc on the spin S and on the anisotropy parameter Δ ( Δ=0 and 1 correspond to the isotropic Heisenberg and Ising model, respectively) is obtained explicitly. Our results are in agreement with results obtained from other theoretical approaches.

  4. Modeling of GPS tropospheric delay wet Neill mapping function (NMF)

    NASA Astrophysics Data System (ADS)

    Sakidin, Hamzah; Ahmad, Asmala; Bugis, Ismadi

    2014-10-01

    The modeling of the GPS tropospheric delay mapping function should be revised by modifying or simplify its mathematical model. Some current mapping functions models are separated into hydrostatic and the wet part. The current tropospheric delay models use mapping functions in the form of continued fractions. This model is quite complex and need to be simplified. By using regression method, the wet mapping function models has been selected to be simplified. There are eleven operations for wet mapping function component of Neill Mapping Function (NMF), to be carried out before getting the mapping function scale factor. So, there is a need to simplify the mapping function models to allow faster calculation and also better understanding of the models.

  5. A lattice-based model of rotavirus epidemics

    NASA Astrophysics Data System (ADS)

    Lara-Sagahón, A.; Govezensky, T.; Méndez-Sánchez, R. A.; José, M. V.

    2006-01-01

    The cyclic recurrence of childhood rotavirus epidemics in unvaccinated populations provides one of the best documented phenomena in population dynamics and can become a paradigm for epidemic studies. Herein we analyse the monthly incidence of rotavirus infection from the city of Melbourne, Australia during 1976-2003. We show that there is an inverse nonlinear relationship of the cumulative distribution of the number of cases per month in a log-log plot. It is also shown that the rate of transmission of rotavirus infection follows a symmetric distribution centered on zero. A wavelet phase analysis of rotavirus epidemics is also carried out. We test the hypothesis that rotavirus dynamics could be a realization of a forest-fire model with sparks and with immune trees. Some statistical properties of this model turn out to be similar to the above results of actual rotavirus data.

  6. Interpretation of topologically restricted measurements in lattice σ-models

    NASA Astrophysics Data System (ADS)

    Bautista, Irais; Bietenholz, Wolfgang; Gerber, Urs; Hofmann, Christoph P.; Mejía-Díaz, Héctor; Prado, Lilian

    2016-10-01

    We consider models with topological sectors, and difficulties with their Monte Carlo simulation. In particular we are concerned with the situation where a simulation has an extremely long auto-correlation time with respect to the topological charge. Then reliable numerical measurements are possible only within single topological sectors. The challenge is to assemble such restricted measurements to obtain an approximation for the full-fledged result, which corresponds to the correct sampling over the entire set of configurations. Under certain conditions this is possible, and it provides in addition an estimate for the topological susceptibility χt. Moreover, the evaluation of χt might be feasible even from data in just one topological sector, based on the correlation of the topological charge density. Here we present numerical test results for these techniques in the framework of non-linear σ-models.

  7. Gray free-energy multiphase lattice Boltzmann model with effective transport and wetting properties

    NASA Astrophysics Data System (ADS)

    Zalzale, Mohamad; Ramaioli, M.; Scrivener, K. L.; McDonald, P. J.

    2016-11-01

    The paper shows that it is possible to combine the free-energy lattice Boltzmann approach to multiphase modeling of fluids involving both liquid and vapor with the partial bounce back lattice Boltzmann approach to modeling effective media. Effective media models are designed to mimic the properties of porous materials with porosity much finer than the scale of the simulation lattice. In the partial bounce-back approach, an effective media parameter or bounce-back fraction controls fluid transport. In the combined model, a wetting potential is additionally introduced that controls the wetting properties of the fluid with respect to interfaces between free space (white nodes), effective media (gray nodes), and solids (black nodes). The use of the wetting potential combined with the bounce-back parameter gives the model the ability to simulate transport and sorption of a wide range of fluid in material systems. Results for phase separation, permeability, contact angle, and wicking in gray media are shown. Sorption is explored in small sections of model multiscale porous systems to demonstrate two-step desorption, sorption hysteresis, and the ink-bottle effect.

  8. A Generalized Iterative Perturbation Theory for Multi-Orbital Lattice Model

    NASA Astrophysics Data System (ADS)

    Dasari, Nagamalleswararao; Vidhyadhiraja, N. S.; Chen, Kuang-Shing; Feng, Sheng; Moreno, Juana; Jarrell, Mark

    2013-03-01

    An efficient and accurate quantum impurity solver is needed for solving multi-orbital models by the dynamical mean field approximation. Impurity solvers such as quantum Monte Carlo(QMC) and exact diagonalization(ED) suffer from some limitations even though they are numerically exact, while the approximate method iterative perturbation theory(IPT) is free from these limitations. An IPT algorithm for non-degenerate multi-orbital lattice models is not available. Here we developed a generalized IPT for multi-orbital lattice model, we denote it as M-IPT. It can be applied for degenerate multi- orbital and single-orbital lattice models. As a first test we benchmarked the M-IPT results in the single-band Hubbard model case with the weak-coupling continuous-time Monte Carlo(W-CTQMC) results. We got good agreement between two methods. We are currently benchmarking the M-IPT results for the non-degenerate multi-orbital Hubbard model with the W-CTQMC results.

  9. Multiscale Modeling of Point and Line Defects in Cubic Lattices

    DTIC Science & Technology

    2007-01-01

    and discli- nations with finite micropolar elastoplasticity . Int. J. Plasticity. 22:210–256, 2006. 56. Menzel, A., and Steinmann, P., On the contin...Voyiadjis, G. Z., A finite strain plastic- damage model for high velocity impact using combined viscosity and gradient localization limiters: Part I...Theoretical for- mulation. Int. J. Damage Mech. 15:293–334, 2006. 58. Milstein, F., and Chantasiriwan, S,. Theoretical study of the response of 12 cubic

  10. Analysis of driver's characteristics on a curved road in a lattice model

    NASA Astrophysics Data System (ADS)

    Kaur, Ramanpreet; Sharma, Sapna

    2017-04-01

    The present paper investigates the effect of driver's behavior on the curved road via lattice hydrodynamic approach. The basic model for straight road is extended for the curved road and the characteristics of driver's behavior is incorporated in the lattice model. The extended model is investigated theoretically by the means of linear stability analysis and the effect of curved road and intensity of influence of driver's behavior on the traffic flow stability is examined. Through nonlinear stability analysis, the modified Korteweg-de Vries (MKdV) equation near the critical point is derived to describe the evolution properties of traffic density waves by applying the reductive perturbation method. Furthermore, the numerical simulation is carried out to validate the theoretical results which indicates that the curved road has a negative influence on the stability of the traffic flow. It is also seen that the traffic jam on a curved road can be suppressed efficiently via taking into account aggressive drivers.

  11. A two-band model for superconductivity in the checkerboard lattice.

    PubMed

    Santos, E G; Iglesias, J R; Lacroix, C; Gusmão, M A

    2010-06-02

    Motivated by the superconducting properties of the metallic oxide Cd(2)Re(2)O(7), whose crystal structure is of the pyrochlore type, we propose an electronic model on a checkerboard lattice, which can be viewed as a two-dimensional analog of the pyrochlore lattice. Including only charge degrees of freedom, we treat the model via a Bardeen-Cooper-Schrieffer (BCS) approximation, decoupling the interaction terms in real space. Going over to reciprocal space yields a BCS model with two coupled bands. Characteristic properties such as order parameters and specific heat as functions of temperature are obtained. We also discuss the symmetry properties of the superconducting gap in wavevector space and the behavior of the critical temperature as a function of the electronic doping for various values of the interaction strength.

  12. Exact out-of-time-ordered correlation functions for an interacting lattice fermion model

    NASA Astrophysics Data System (ADS)

    Tsuji, Naoto; Werner, Philipp; Ueda, Masahito

    2017-01-01

    Exact solutions for local equilibrium and nonequilibrium out-of-time-ordered correlation (OTOC) functions are obtained for a lattice fermion model with on-site interactions, namely, the Falicov-Kimball (FK) model, in the large dimensional and thermodynamic limit. Our approach is based on the nonequilibrium dynamical mean-field theory generalized to an extended Kadanoff-Baym contour. We find that the density-density OTOC is most enhanced at intermediate coupling around the metal-insulator phase transition. In the high-temperature limit, the OTOC remains nontrivially finite and interaction dependent, even though dynamical charge correlations probed by an ordinary response function are completely suppressed. We propose an experiment to measure OTOCs of fermionic lattice systems including the FK and Hubbard models in ultracold atomic systems.

  13. Unveiling the physics of the doped phase of the t - J model on the kagome lattice.

    PubMed

    Guertler, Siegfried; Monien, Hartmut

    2013-08-30

    We investigate the ground state properties of the kagome lattice t - J model at low doping by variational Monte Carlo calculations. The resulting state possesses an interesting balance of spin exchange and kinetic exchange through the building blocks of stars which are linked by triangles and their internal hexagons. While the spin exchange is taking place mainly on the stars, hopping is favored on the hexagons. There is a density modulation, resulting in the holes having an effective static contribution. From this observation, how holes lead to dimerization in this model and why a particular valence bond crystal pattern is formed can be understood. Furthermore, we argue the optimal doping for this state. We discuss our result in connection with static impurities, and show the likely relevance to the diluted kagome lattice Heisenberg model, describing actual compounds.

  14. Critical and crossover behavior in the double-Gaussian model on a lattice

    NASA Astrophysics Data System (ADS)

    Baker, George A., Jr.; Bishop, A. R.; Fesser, K.; Beale, Paul D.; Krumhansl, J. A.

    1982-09-01

    The double-Gaussian model, as recently introduced by Baker and Bishop, is studied in the context of a lattice-dynamics Hamiltonian belonging to the familiar φ4 class. Advantage is taken of the partition-function factorability (into Ising and Gaussian components) to place bounds on the Ising-class critical temperature for various lattice dimensions and all degrees of displaciveness in the bare Hamiltonian. Further, a simple criterion for a noncritical and nonuniversal crossover from order-disorder to Gaussian behavior is evaluated in numerical detail. In one and two dimensions these critical and crossover properties are compared with predictions based on real-space decimation renormalization-group flows, as previously exploited in the φ4 model by Beale et al. The double-Gaussian model again introduces some unique analytical advantages.

  15. Critical and crossover behavior in the double Gaussian model on a lattice

    SciTech Connect

    Baker, G.A. Jr.; Bishop, A.R.; Fesser, K.; Beale, P.D.; Krumhansl, J.A.

    1982-09-01

    The-double-Gaussian model, as recently introduced by Baker and Bishop, is studied in the context of a lattice-dynamics Hamiltonian belonging to the familiar phi/sup 4/ class. Advantage is taken of the partition-function factorability (into Ising and Gaussian components) to place bounds on the Ising-class critical temperature for various lattice dimensions and all degrees of displaciveness in the bare Hamiltonian. Further, a simple criterion for a noncritical and nonuniversal crossover from order-disorder to Gaussian behavior is evaluated in numerical detail. In one and two dimensions these critical and crossover properties are compared with predictions based on real-space decimation renormalization-group flows, as previously exploited in the phi/sup 4/ model by Beale et al. The double-Gaussian model again introduces some unique analytical advantages.

  16. Real-time dynamics and proposal for feasible experiments of lattice gauge-Higgs model simulated by cold atoms

    NASA Astrophysics Data System (ADS)

    Kuno, Yoshihito; Kasamatsu, Kenichi; Takahashi, Yoshiro; Ichinose, Ikuo; Matsui, Tetsuo

    2015-06-01

    Lattice gauge theory has provided a crucial non-perturbative method in studying canonical models in high-energy physics such as quantum chromodynamics. Among other models of lattice gauge theory, the lattice gauge-Higgs model is a quite important one because it describes a wide variety of phenomena/models related to the Anderson-Higgs mechanism, such as superconductivity, the standard model of particle physics, and the inflation process of the early Universe. In this paper, we first show that atomic description of the lattice gauge model allows us to explore real-time dynamics of the gauge variables by using the Gross-Pitaevskii equations. Numerical simulations of the time development of an electric flux reveal some interesting characteristics of the dynamic aspect of the model and determine its phase diagram. Next, to realize a quantum simulator of the U(1) lattice gauge-Higgs model on an optical lattice filled by cold atoms, we propose two feasible methods: (i) Wannier states in the excited bands and (ii) dipolar atoms in a multilayer optical lattice. We pay attention to the constraint of Gauss's law and avoid nonlocal gauge interactions.

  17. Model for nodal quasiparticle scattering in a disordered vortex lattice

    NASA Astrophysics Data System (ADS)

    Maltseva, Marianna; Coleman, P.

    2009-10-01

    Recent scanning-tunneling experiments on Ca2-xNaxCuO2Cl2 by Hanaguri [Science 323, 923 (2009)] observe field-dependent quasiparticle interference effects which are sensitive to the sign of the d -wave order parameter. Their analysis of spatial fluctuations in the local density of states shows that there is a selective enhancement of quasiparticle scattering events that preserve the gap sign and a selective depression of the quasiparticle scattering events that reverse the gap sign. We introduce a model which accounts for this phenomenon as a consequence of vortex pinning to impurities. Each pinned vortex embeds several impurities in its core. The observations of recent experiments can be accounted for by assuming that the scattering potentials of the impurities inside the vortex cores acquire an additional resonant or Andreev scattering component, both of which induce gap sign preserving scattering events.

  18. Lattice Models for Granular-Like Velocity Fields: Hydrodynamic Description

    NASA Astrophysics Data System (ADS)

    Manacorda, Alessandro; Plata, Carlos A.; Lasanta, Antonio; Puglisi, Andrea; Prados, Antonio

    2016-08-01

    A recently introduced model describing—on a 1d lattice—the velocity field of a granular fluid is discussed in detail. The dynamics of the velocity field occurs through next-neighbours inelastic collisions which conserve momentum but dissipate energy. The dynamics is described through the corresponding Master Equation for the time evolution of the probability distribution. In the continuum limit, equations for the average velocity and temperature fields with fluctuating currents are derived, which are analogous to hydrodynamic equations of granular fluids when restricted to the shear modes. Therefore, the homogeneous cooling state, with its linear instability, and other relevant regimes such as the uniform shear flow and the Couette flow states are described. The evolution in time and space of the single particle probability distribution, in all those regimes, is also discussed, showing that the local equilibrium is not valid in general. The noise for the momentum and energy currents, which are correlated, are white and Gaussian. The same is true for the noise of the energy sink, which is usually negligible.

  19. Modeling of alkyl quaternary ammonium cations intercalated into montmorillonite lattice

    SciTech Connect

    Daoudi, El Mehdi; Boughaleb, Yahia; El Gaini, Layla; Meghea, Irina; Bakasse, Mina

    2013-05-15

    Highlights: ► The modification of montmorillonites by three surfactants increases the basal spacing. ► The model proposed show a bilayer conformation for the surfactant ODTMA. ► The DODMA and TOMA surfactants adopt a paraffin type arrangement. ► Behavior of surfactants in interlayer space was confirmed by TGA and ATR analysis. - Abstract: The objective of this work was to study the conformation of the quaternary ammonium cations viz., octadecyl trimethyl ammonium (ODTMA), dioctadecyl dimethyl ammonium (DMDOA) and trioctadecyl methyl ammonium (TOMA) intercalated within montmorillonite. The modified montmorillonite was characterized by X-ray diffraction in small angle (SAXS), thermal analysis (TGA) and infrared spectroscopy of attenuated total reflection (ATR). The modification of organophilic montmorillonites by the three surfactants ODTMA, DMDOA and TOMA increases the basal spacing from their respective intercalated distances of 1.9 nm, 2.6 nm and 3.4 nm respectively. The increase in the spacing due to the basic organic modification was confirmed by the results of thermal analysis (TGA) and infrared spectroscopy (ATR), and also supported by theoretical calculations of longitudinal and transversal chain sizes of these alkyl quaternary ammonium cations.

  20. Conduction in quasiperiodic and quasirandom lattices: Fibonacci, Riemann, and Anderson models

    NASA Astrophysics Data System (ADS)

    Varma, V. K.; Pilati, S.; Kravtsov, V. E.

    2016-12-01

    We study the ground state conduction properties of noninteracting electrons in aperiodic but nonrandom one-dimensional models with chiral symmetry and make comparisons against Anderson models with nondeterministic disorder. The first model we consider is the Fibonacci lattice, which is a paradigmatic model of quasicrystals; the second is the Riemann lattice, which we define inspired by Dyson's proposal on the possible connection between the Riemann hypothesis and a suitably defined quasicrystal. Our analysis is based on Kohn's many-particle localization tensor defined within the modern theory of the insulating state. In the Fibonacci quasicrystal, where all single-particle eigenstates are critical (i.e., intermediate between ergodic and localized), the noninteracting electron gas is found to be an insulator, due to spectral gaps, at various specific fillings ρ , including the values ρ =1 /gn , where g is the golden ratio and n is any integer; however away from these spectral anomalies, the system is found to be a conductor, including the half-filled case. In the Riemann lattice metallic behavior is found at half filling as well; however, in contrast to the Fibonacci quasicrystal, the Riemann lattice is generically an insulator due to single-particle eigenstate localization, likely at all other fillings. Its behavior turns out to be alike that of the off-diagonal Anderson model, albeit with different system-size scaling of the band-center anomalies. The advantages of analyzing the Kohn's localization tensor instead of other measures of localization familiar from the theory of Anderson insulators (such as the participation ratio or the Lyapunov exponent) are highlighted.

  1. Interacting damage models mapped onto ising and percolation models

    SciTech Connect

    Toussaint, Renaud; Pride, Steven R.

    2004-03-23

    The authors introduce a class of damage models on regular lattices with isotropic interactions between the broken cells of the lattice. Quasistatic fiber bundles are an example. The interactions are assumed to be weak, in the sense that the stress perturbation from a broken cell is much smaller than the mean stress in the system. The system starts intact with a surface-energy threshold required to break any cell sampled from an uncorrelated quenched-disorder distribution. The evolution of this heterogeneous system is ruled by Griffith's principle which states that a cell breaks when the release in potential (elastic) energy in the system exceeds the surface-energy barrier necessary to break the cell. By direct integration over all possible realizations of the quenched disorder, they obtain the probability distribution of each damage configuration at any level of the imposed external deformation. They demonstrate an isomorphism between the distributions so obtained and standard generalized Ising models, in which the coupling constants and effective temperature in the Ising model are functions of the nature of the quenched-disorder distribution and the extent of accumulated damage. In particular, they show that damage models with global load sharing are isomorphic to standard percolation theory, that damage models with local load sharing rule are isomorphic to the standard ising model, and draw consequences thereof for the universality class and behavior of the autocorrelation length of the breakdown transitions corresponding to these models. they also treat damage models having more general power-law interactions, and classify the breakdown process as a function of the power-law interaction exponent. Last, they also show that the probability distribution over configurations is a maximum of Shannon's entropy under some specific constraints related to the energetic balance of the fracture process, which firmly relates this type of quenched-disorder based damage model

  2. Quark-lattice Nuclear Model Applications -- Neutron Absorption, Radioactive Decay, and Asymmetric Fission

    NASA Astrophysics Data System (ADS)

    Jeffery, Rondo N.; Montgomery, Jerry R.

    2010-10-01

    The new quark-lattice model of the nucleus has been extended through heavy nuclei. Three specific issues illustrate the power of the model: (1) large thermal neutron absorption cross sections, (2) radioactive decay of K-40, and (3) asymmetric fission. Large neutron absorption cross sections occur when there are openings in the lattice into which neutrons can naturally fit. Examples are He-3, Li-6, and B-10. B-10 results in neutron-activated fission. The decay of K-40 into either Ar-40 or Ca-40 illustrates the role spin plays in determining nuclear structure. K-40 has net spin 4 whereas Ar-40 and Ca-40 both have spin 0. Zome models are used to show these structures. The fission of heavy nuclei occurs, in the lattice model, as the core of the structure separates from the loosely-packed ends. The ends are repacked into a smaller nucleus, which forms the lighter of the two daughter fragments. This explains why the lighter fragment mass increases with total mass whereas the heavier fragment mass remains relatively constant.

  3. Spiral to ferromagnetic transition in a Kondo lattice model with a double-well potential

    NASA Astrophysics Data System (ADS)

    Caro, R. C.; Franco, R.; Silva-Valencia, J.

    2016-02-01

    Using the density matrix renormalization group method, we study a system of 171Yb atoms confined in a one-dimensional optical lattice. The atoms in the 1So state undergo a double-well potential, whereas the atoms in the 3P0 state are localized. This system is modelled by the Kondo lattice model plus a double-well potential for the free carries. We obtain phase diagrams composed of ferromagnetic and spiral phases, where the critical points always increase with the interwell tunneling parameter. We conclude that this quantum phase transition can be tuned by the double-well potential parameters as well as by the common parameters: local coupling and density.

  4. Spiral magnetic phases on the Kondo Lattice Model: A Hartree-Fock approach

    NASA Astrophysics Data System (ADS)

    Costa, N. C.; Lima, J. P.; dos Santos, Raimundo R.

    2017-02-01

    We study the Kondo Lattice Model (KLM) on a square lattice through a Hartree-Fock approximation in which the local spins are treated semi-classically, in the sense that their average values are modulated by a magnetic wavevector Q while they couple with the conduction electrons through fermion operators. In this way, we obtain a ground state phase diagram in which spiral magnetic phases (in which the wavevector depends on the coupling constants and on the density) interpolate between the low-density ferromagnetic phase and the antiferromagnetic phase at half filling; within small regions of the phase diagram commensurate magnetic phases can coexist with Kondo screening. We have also obtained 'Doniach-like' diagrams, showing the effect of temperature on the ground state phases, and established that for some ranges of the model parameters (the exchange coupling and conduction electron density) the magnetic wavevector changes with temperature, either continuously or abruptly (e.g., from spiral to ferromagnetic).

  5. Lattice Boltzmann model for incompressible axisymmetric thermal flows through porous media

    NASA Astrophysics Data System (ADS)

    Grissa, Kods; Chaabane, Raoudha; Lataoui, Zied; Benselama, Adel; Bertin, Yves; Jemni, Abdelmajid

    2016-10-01

    The present work proposes a simple lattice Boltzmann model for incompressible axisymmetric thermal flows through porous media. By incorporating forces and source terms into the lattice Boltzmann equation, the incompressible Navier-Stokes equations are recovered through the Chapman-Enskog expansion. It is found that the added terms are just the extra terms in the governing equations for the axisymmetric thermal flows through porous media compared with the Navier-Stokes equations. Four numerical simulations are performed to validate this model. Good agreement is obtained between the present work and the analytic solutions and/or the results of previous studies. This proves its efficacy and simplicity regarding other methods. Also, this approach provides guidance for problems with more physical phenomena and complicated force forms.

  6. Minkowski space pion model inspired by lattice QCD running quark mass

    NASA Astrophysics Data System (ADS)

    Mello, Clayton S.; de Melo, J. P. B. C.; Frederico, T.

    2017-03-01

    The pion structure in Minkowski space is described in terms of an analytic model of the Bethe-Salpeter amplitude combined with Euclidean Lattice QCD results. The model is physically motivated to take into account the running quark mass, which is fitted to Lattice QCD data. The pion pseudoscalar vertex is associated to the quark mass function, as dictated by dynamical chiral symmetry breaking requirements in the limit of vanishing current quark mass. The quark propagator is analyzed in terms of a spectral representation, and it shows a violation of the positivity constraints. The integral representation of the pion Bethe-Salpeter amplitude is also built. The pion space-like electromagnetic form factor is calculated with a quark electromagnetic current, which satisfies the Ward-Takahashi identity to ensure current conservation. The results for the form factor and weak decay constant are found to be consistent with the experimental data.

  7. Analysis of the crystal lattice instability for cage-cluster systems using the superatom model

    NASA Astrophysics Data System (ADS)

    Serebrennikov, D. A.; Clementyev, E. S.; Alekseev, P. A.

    2016-09-01

    We have investigated the lattice dynamics for a number of rare-earth hexaborides based on the superatom model within which the boron octahedron is substituted by one superatom with a mass equal to the mass of six boron atoms. Phenomenological models have been constructed for the acoustic and lowenergy optical phonon modes in RB6 (R = La, Gd, Tb, Dy) compounds. Using DyB6 as an example, we have studied the anomalous softening of longitudinal acoustic phonons in several crystallographic directions, an effect that is also typical of GdB6 and TbB6. The softening of the acoustic branches is shown to be achieved through the introduction of negative interatomic force constants between rare-earth ions. We discuss the structural instability of hexaborides based on 4 f elements, the role of valence instability in the lattice dynamics, and the influence of the number of f electrons on the degree of softening of phonon modes.

  8. The Bose-Hubbard model: from Josephson junction arrays to optical lattices

    NASA Astrophysics Data System (ADS)

    Bruder, C.; Fazio, R.; Schön, G.

    2005-09-01

    [Dedicated to Bernhard Mühlschlegel on the occasion ofhis 80th birthday]The Bose-Hubbard model is a paradigm for the study of strongly correlated bosonic systems. We review some of its properties with emphasis on the implications on quantum phase transitions of Josephson junction arrays and quantum dynamics of topological excitations as well as the properties of ultra-cold atoms in optical lattices.

  9. A Lattice Model for the Line Tension of a Sessile Drop

    NASA Astrophysics Data System (ADS)

    Gandolfo, Daniel; Laanait, Lahoussine; Miracle-Sole, Salvador; Ruiz, Jean

    2007-01-01

    Within a semi-infinite three-dimensional lattice gas model describing the coexistence of two phases on a substrate, we study, by cluster expansion techniques, the free energy (line tension) associated with the contact line between the two phases and the substrate. We show that this line tension, is given at low temperature by a convergent series whose leading term is negative, and equals 0 at zero temperature.

  10. Cluster Monte Carlo dynamics for the antiferromagnetic Ising model on a triangular lattice

    NASA Astrophysics Data System (ADS)

    Zhang, G. M.; Yang, C. Z.

    1994-11-01

    Within the general cluster framework of Kandel, Ben-Av, and Domany, we develop a cluster algorithm for Monte Carlo simulations of the antiferromagnetic Ising model on a triangular lattice. The algorithm does not suffer from problems of metastability and is extremely efficient even at T=0, which allows us to extract the static exponent η=0.5 as well as the effective dynamical critical exponent of the algorithm z=0.64+/-0.02.

  11. Hamiltonian and potentials in derivative pricing models: exact results and lattice simulations

    NASA Astrophysics Data System (ADS)

    Baaquie, Belal E.; Corianò, Claudio; Srikant, Marakani

    2004-03-01

    The pricing of options, warrants and other derivative securities is one of the great success of financial economics. These financial products can be modeled and simulated using quantum mechanical instruments based on a Hamiltonian formulation. We show here some applications of these methods for various potentials, which we have simulated via lattice Langevin and Monte Carlo algorithms, to the pricing of options. We focus on barrier or path dependent options, showing in some detail the computational strategies involved.

  12. Proposed approximation for contact angles in Shan-and-Chen-type multicomponent multiphase lattice Boltzmann models

    NASA Astrophysics Data System (ADS)

    Huang, Haibo; Thorne, Daniel T., Jr.; Schaap, Marcel G.; Sukop, Michael C.

    2007-12-01

    We propose a method for approximating the adhesion parameters in the Shan and Chen multicomponent, multiphase lattice Boltzmann model that leads to the desired fluid-solid contact angle. The method is a straightforward application of Young’s equation with substitution of the Shan and Chen cohesion parameter and a density factor for the fluid-fluid interfacial tension, and the adhesion parameters for the corresponding fluid-solid interfacial tensions.

  13. The Lunar Mapping and Modeling Project

    NASA Technical Reports Server (NTRS)

    Noble, Sarah; French, Raymond; Nall, Mark; Muery, Kimberly

    2009-01-01

    LMMP was initiated in 2007 to help in making the anticipated results of the LRO spacecraft useful and accessible to Constellation. The LMMP is managing and developing a suite of lunar mapping and modeling tools and products that support the Constellation Program (CxP) and other lunar exploration activities. In addition to the LRO Principal Investigators, relevant activities and expertise that had already been funded by NASA was identified at ARC, CRREL (Army Cold Regions Research & Engineering Laboratory), GSFC, JPL, & USGS. LMMP is a cost capped, design-to-cost project (Project budget was established prior to obtaining Constellation needs)

  14. Enhanced hybrid search algorithm for protein structure prediction using the 3D-HP lattice model.

    PubMed

    Zhou, Changjun; Hou, Caixia; Zhang, Qiang; Wei, Xiaopeng

    2013-09-01

    The problem of protein structure prediction in the hydrophobic-polar (HP) lattice model is the prediction of protein tertiary structure. This problem is usually referred to as the protein folding problem. This paper presents a method for the application of an enhanced hybrid search algorithm to the problem of protein folding prediction, using the three dimensional (3D) HP lattice model. The enhanced hybrid search algorithm is a combination of the particle swarm optimizer (PSO) and tabu search (TS) algorithms. Since the PSO algorithm entraps local minimum in later evolution extremely easily, we combined PSO with the TS algorithm, which has properties of global optimization. Since the technologies of crossover and mutation are applied many times to PSO and TS algorithms, so enhanced hybrid search algorithm is called the MCMPSO-TS (multiple crossover and mutation PSO-TS) algorithm. Experimental results show that the MCMPSO-TS algorithm can find the best solutions so far for the listed benchmarks, which will help comparison with any future paper approach. Moreover, real protein sequences and Fibonacci sequences are verified in the 3D HP lattice model for the first time. Compared with the previous evolutionary algorithms, the new hybrid search algorithm is novel, and can be used effectively to predict 3D protein folding structure. With continuous development and changes in amino acids sequences, the new algorithm will also make a contribution to the study of new protein sequences.

  15. Numerical characterization of non-Abelian Moore-Read state in the microscopic lattice boson model

    NASA Astrophysics Data System (ADS)

    Zhu, Wei; Gong, Shoushu; Haldane, F. D. M.; Sheng, D. N.

    2015-03-01

    Identifying the interacting systems that host the non-Abelian (NA) topological phases have attracted intense attention in physics. Theoretically, it is possible to realize the NA Moore-Read (MR) state in bosonic system or double-layer system by coupling two Abelian fractional quantum Hall (FQH) states together. Here, based on the density matrix renormalization group and exact diagonalization calculations, we study two such examples in the microscopic lattice models and investigate their NA nature. In the first example, we provide a thorough characterization of the universal properties of MR state on Haldane honeycomb lattice model, including both the edge spectrum and the bulk anyonic quasiparticle statistics. By inspecting the entanglement spectral response to the U (1) flux, it is found that two of Abelian ground states can be adiabatically connected through a charge unit quasiparticle pumping from one edge to the other. In the second example, we study a double-layer bosonic FQH system built from the π-flux lattice model. Some evidences of NA nature has been identified, including the groundstate degeneracy and finite drag Hall conductance. The numerical methods we developed here provides a useful and practical way for detecting the full information of NA topological order. This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02-06ER46305.

  16. Dissipative photonic lattice solitons.

    PubMed

    Ultanir, Erdem A; Stegeman, George I; Christodoulides, Demetrios N

    2004-04-15

    We show that discrete dissipative optical lattice solitons are possible in waveguide array configurations that involve periodically patterned semiconductor optical amplifiers and saturable absorbers. The characteristics of these low-power soliton states are investigated, and their propagation constant eigenvalues are mapped on Floquet-Bloch band diagrams. The prospect of observing such low-power dissipative lattice solitons is discussed in detail.

  17. Lattice overview

    SciTech Connect

    Creutz, M.

    1984-01-01

    After reviewing some recent developments in supercomputer access, the author discusses a few areas where perturbation theory and lattice gauge simulations make contact. The author concludes with a brief discussion of a deterministic dynamics for the Ising model. This may be useful for numerical studies of nonequilibrium phenomena. 13 references.

  18. A local formulation of lattice Wess-Zumino model with exact U(1)R symmetry

    NASA Astrophysics Data System (ADS)

    Kikukawa, Yoshio; Suzuki, Hiroshi

    2005-02-01

    A lattice Wess-Zumino model is formulated on the basis of Ginsparg-Wilson fermions. In perturbation theory, our formulation is equivalent to the formulation by Fujikawa and Ishibashi and by Fujikawa. Our formulation is, however, free from a singular nature of the latter formulation due to an additional auxiliary chiral supermultiplet on a lattice. The model posssesses an exact U(1)R symmetry as a supersymmetric counterpart of the Lüscher lattice chiral U(1) symmetry. A restration of the supersymmetric Ward-Takahashi identity in the continuum limit is analyzed in renormalized perturbation theory. In the one-loop level, a supersymmetric continuum limit is ensured by suitably adjusting a coefficient of a single local term tilde F*tilde F. The non-renormalization theorem holds to this order of perturbation theory. In higher orders, on the other hand, coefficents of local terms with dimension <= 4 that are consistent with the U(1)R symmetry have to be adjusted for a supersymmetric continuum limit. The origin of this complexicity in higher-order loops is clarified on the basis of the Reisz power counting theorem. Therefore, from a view point of supersymmetry, the present formulation is not quite better than a lattice Wess-Zumino model formulated by using Wilson fermions, although a number of coefficients which require adjustment is much less due to the exact U(1)R symmetry. We also comment on an exact non-linear fermionic symmetry which corresponds to the one studied by Bonini and Feo; an existence of this exact symmetry itself does not imply a restoration of supersymmetry in the continuum limit without any adjustment of parameters.

  19. An improved gray lattice Boltzmann model for simulating fluid flow in multi-scale porous media

    NASA Astrophysics Data System (ADS)

    Zhu, Jiujiang; Ma, Jingsheng

    2013-06-01

    A lattice Boltzmann (LB) model is proposed for simulating fluid flow in porous media by allowing the aggregates of finer-scale pores and solids to be treated as 'equivalent media'. This model employs a partially bouncing-back scheme to mimic the resistance of each aggregate, represented as a gray node in the model, to the fluid flow. Like several other lattice Boltzmann models that take the same approach, which are collectively referred to as gray lattice Boltzmann (GLB) models in this paper, it introduces an extra model parameter, ns, which represents a volume fraction of fluid particles to be bounced back by the solid phase rather than the volume fraction of the solid phase at each gray node. The proposed model is shown to conserve the mass even for heterogeneous media, while this model and that model of Walsh et al. (2009) [1], referred to the WBS model thereafter, are shown analytically to recover Darcy-Brinkman's equations for homogenous and isotropic porous media where the effective viscosity and the permeability are related to ns and the relaxation parameter of LB model. The key differences between these two models along with others are analyzed while their implications are highlighted. An attempt is made to rectify the misconception about the model parameter ns being the volume fraction of the solid phase. Both models are then numerically verified against the analytical solutions for a set of homogenous porous models and compared each other for another two sets of heterogeneous porous models of practical importance. It is shown that the proposed model allows true no-slip boundary conditions to be incorporated with a significant effect on reducing errors that would otherwise heavily skew flow fields near solid walls. The proposed model is shown to be numerically more stable than the WBS model at solid walls and interfaces between two porous media. The causes to the instability in the latter case are examined. The link between these two GLB models and a

  20. Exact statistical mechanical lattice model and classical Lindemann theory of melting of inert gas solids

    NASA Astrophysics Data System (ADS)

    Dunne, Lawrence J.; Murrell, John N.; Manos, George

    2008-05-01

    A modified form of Lindemann's model shows that the melting points of the heavy inert gases and other effectively spherical molecular species are proportional to the depths of their diatomic potential wells. The success of the model when compared with experiment seems to rely on the almost constant value of the ratio of the fractional volume and entropy changes during fusion. The Lindemann proposal can be incorporated into an exactly treated statistical mechanical lattice model utilising expandable clusters which reproduces the solid-liquid melting phenomenon for argon with a realistic volume change and melting line.

  1. Lattice model for the calculation of the angle of repose from microscopic grain properties

    NASA Astrophysics Data System (ADS)

    Alonso, J. J.; Hovi, J.-P.; Herrmann, H. J.

    1998-07-01

    We study a simple lattice model for granular heap, which aims at calculating the macroscopic angle of repose from the microscopic grain properties. The model includes the effects of dissipation of the energy in the particle-particle collisions, and sticking of the particles to the pile. We obtain that, due to the discretization of the space, the angle of repose of the pile behaves as a complete devil's staircase as a function of the model parameters. We present numerical and analytical considerations which characterize the properties of this staircase.

  2. 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 .

  3. Hall viscosity and momentum transport in lattice and continuum models of the integer quantum Hall effect in strong magnetic fields

    NASA Astrophysics Data System (ADS)

    Tuegel, Thomas I.; Hughes, Taylor L.

    2015-10-01

    The Hall viscosity describes a nondissipative response to strain in systems with broken time-reversal symmetry. We develop a method for computing the Hall viscosity of lattice systems in strong magnetic fields based on momentum transport, which we compare to the method of momentum polarization used by Tu et al. [Phys. Rev. B 88, 195412 (2013), 10.1103/PhysRevB.88.195412] and Zaletel et al. [Phys. Rev. Lett. 110, 236801 (2013), 10.1103/PhysRevLett.110.236801] for noninteracting systems. We compare the Hall viscosity of square-lattice tight-binding models in magnetic field to the continuum integer quantum Hall effect (IQHE) showing agreement when the magnetic length is much larger than the lattice constant, but deviation as the magnetic field strength increases. We also relate the Hall viscosity of relativistic electrons in magnetic field (the Dirac IQHE) to the conventional IQHE. The Hall viscosity of the lattice Dirac model in magnetic field agrees with the continuum Dirac Hall viscosity when the magnetic length is much larger than the lattice constant. We also show that the Hall viscosity of the lattice model deviates further from the continuum model if the C4 symmetry of the square lattice is broken to C2, but the deviation is again minimized as the magnetic length increases.

  4. Transport lattice models of heat transport in skin with spatially heterogeneous, temperature-dependent perfusion

    PubMed Central

    Gowrishankar, TR; Stewart, Donald A; Martin, Gregory T; Weaver, James C

    2004-01-01

    Background Investigation of bioheat transfer problems requires the evaluation of temporal and spatial distributions of temperature. This class of problems has been traditionally addressed using the Pennes bioheat equation. Transport of heat by conduction, and by temperature-dependent, spatially heterogeneous blood perfusion is modeled here using a transport lattice approach. Methods We represent heat transport processes by using a lattice that represents the Pennes bioheat equation in perfused tissues, and diffusion in nonperfused regions. The three layer skin model has a nonperfused viable epidermis, and deeper regions of dermis and subcutaneous tissue with perfusion that is constant or temperature-dependent. Two cases are considered: (1) surface contact heating and (2) spatially distributed heating. The model is relevant to the prediction of the transient and steady state temperature rise for different methods of power deposition within the skin. Accumulated thermal damage is estimated by using an Arrhenius type rate equation at locations where viable tissue temperature exceeds 42°C. Prediction of spatial temperature distributions is also illustrated with a two-dimensional model of skin created from a histological image. Results The transport lattice approach was validated by comparison with an analytical solution for a slab with homogeneous thermal properties and spatially distributed uniform sink held at constant temperatures at the ends. For typical transcutaneous blood gas sensing conditions the estimated damage is small, even with prolonged skin contact to a 45°C surface. Spatial heterogeneity in skin thermal properties leads to a non-uniform temperature distribution during a 10 GHz electromagnetic field exposure. A realistic two-dimensional model of the skin shows that tissue heterogeneity does not lead to a significant local temperature increase when heated by a hot wire tip. Conclusions The heat transport system model of the skin was solved by

  5. Vacancies in a 3D-Kitaev model on hyper-honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Sreejith, G. J.; Bhattacharjee, Subhro; Moessner, Roderich

    We study the properties of isolated single and pairs of vacancies in an exactly solvable Kitaev model on a three dimensional hyper-honeycomb lattice. We show that each vacancy in the lattice is associated with a low energy spin like degree of freedom, similar to the case of previously studied honeycomb model. We calculate the contribution from these vacancy spin-moments to the low field magnetization response to a z-directed field. Isolated vacancies in the gapped phase act as free spins. In the gapless phase, these spins interact with the surrounding spin-liquid suppressing the low-field magnetization to 1/√{ ln [ 1 /hz ] }. Pair of vacancies have a sublattice-dependent, anisotropic, spin-liquid mediated interaction with each other. In the gapless phase, interaction between vacancies in the same (opposite) sublattice enhances (suppresses) the low-field magnetization, indicating a ferromagnetic (anti-ferromagnetic) nature. We also show that, unlike vacancies in the honeycomb lattice, the vacancies here do not bind a flux at low-energies.

  6. A coupled ordinary differential equation lattice model for the simulation of epileptic seizures.

    PubMed

    Larter, Raima; Speelman, Brent; Worth, Robert M.

    1999-09-01

    A coupled ordinary differential equation lattice model for the CA3 region of the hippocampus (a common location of the epileptic focus) is developed. This model consists of a hexagonal lattice of nodes, each describing a subnetwork consisting of a group of prototypical excitatory pyramidal cells and a group of prototypical inhibitory interneurons connected via on/off excitatory and inhibitory synapses. The nodes communicate using simple rules to simulate the diffusion of extracellular potassium. Both the integration time over which a node's trajectory is integrated before the diffusional event is allowed to occur and the level of inhibition in each node were found to be important parameters. Shorter integration times lead to total synchronization of the lattice (similar to synchronous neural activity occurring during a seizure) whereas longer times cause more random spatiotemporal behavior. Moderately diminished levels of inhibition lead to simple nodal oscillatory behavior. It is postulated that both the lack of inhibition and an alteration in conduction time may be necessary for the development of a behaviorally manifest seizure. (c) 1999 American Institute of Physics.

  7. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    SciTech Connect

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic and anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.

  8. Multipseudopotential interaction: a solution for thermodynamic inconsistency in pseudopotential lattice Boltzmann models.

    PubMed

    Khajepor, Sorush; Wen, John; Chen, Baixin

    2015-02-01

    Pseudopotential lattice Boltzmann (LB) models have been recognized as efficient numerical tools to simulate complex fluid systems, including those at thermodynamic equilibrium states and with phase transitions. However, when the equation of state (EOS) of real fluids is implemented, the existing pseudopotential LB models suffer from thermodynamic inconsistency. This study presents a multipseudopotential interparticle interaction (MPI) scheme, which is fully consistent with thermodynamics and applicable to engineering applications. In this framework, multiple pseudopotentials are employed to represent dominant interaction potentials at different extents of the mean free path of particles. By simulating van der Waals and Carnahan-Starling fluids, it is demonstrated that the MPI scheme can correctly simulate the physical nature of two-phase systems on the lattice including the continuum predictions of liquid-vapor coexistence states and the sound speeds in liquid and vapor phases. It is also shown that the lattice interactions of the MPI scheme represent underlying molecular interactions as they vary in a broad range from strong short-distance repulsions to weak long-distance attractions during phase transitions. Consequently, the MPI is proved to be a reliable LB scheme as it avoids generating unphysical potentials in implementing the EOSs of real fluids and limiting the spurious velocities at the interface of two-phase systems. Additionally, a straightforward procedure is suggested and discussed to preset the MPI system with the two-phase properties of a selected fluid.

  9. Lattice Statistical Models for the Nematic Transitions in Liquid-Crystalline Systems

    NASA Astrophysics Data System (ADS)

    Nascimento, E. S.; Vieira, A. P.; Salinas, S. R.

    2016-12-01

    We investigate the connections between some simple Maier-Saupe lattice models, with a discrete choice of orientations of the microscopic directors, and a recent proposal of a two-tensor formalism to describe the phase diagrams of nematic liquid-crystalline systems. This two-tensor proposal is used to formulate the statistical problem in terms of fully connected lattice Hamiltonians, with the local nematic directors restricted to the Cartesian axes. Depending on the choice of interaction parameters, we regain all of the main features of the original mean-field two-tensor calculations. With a standard choice of parameters, we obtain the well-known sequence of isotropic, uniaxial, and biaxial nematic structures, with a Landau multicritical point. With another suitably chosen set of parameters, we obtain two tricritical points, according to some recent predictions of the two-tensor calculations. The simple statistical lattice models are quite easy to work with, for all values of parameters, and the present calculations can be carried out beyond the mean-field level.

  10. Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model

    DOE PAGES

    Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent

    2016-05-11

    Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less

  11. A coupled ordinary differential equation lattice model for the simulation of epileptic seizures

    NASA Astrophysics Data System (ADS)

    Larter, Raima; Speelman, Brent; Worth, Robert M.

    1999-09-01

    A coupled ordinary differential equation lattice model for the CA3 region of the hippocampus (a common location of the epileptic focus) is developed. This model consists of a hexagonal lattice of nodes, each describing a subnetwork consisting of a group of prototypical excitatory pyramidal cells and a group of prototypical inhibitory interneurons connected via on/off excitatory and inhibitory synapses. The nodes communicate using simple rules to simulate the diffusion of extracellular potassium. Both the integration time over which a node's trajectory is integrated before the diffusional event is allowed to occur and the level of inhibition in each node were found to be important parameters. Shorter integration times lead to total synchronization of the lattice (similar to synchronous neural activity occurring during a seizure) whereas longer times cause more random spatiotemporal behavior. Moderately diminished levels of inhibition lead to simple nodal oscillatory behavior. It is postulated that both the lack of inhibition and an alteration in conduction time may be necessary for the development of a behaviorally manifest seizure.

  12. Renormalization-group study of the ferromagnetic Ising model on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Unger, Chris

    1984-08-01

    The dynamic real-space renormalization group of Mazenko and Valls is applied to the zero-field ferromagnetic Ising model on the triangular lattice. Renormalization equations valid for all temperatures above the critical temperature Tc are derived for the susceptibility, specific heat, structure factor, and correlation length. The magnetization is found for Tlattices. The computed dynamic structure factor, however, exhibits nonmonotonic behavior as a function of temperature. This nonmonotonic behavior is conjectured to be due to approximations in determining the expansion parameters.

  13. Spin waves in the fcc lattice antiferromagnet: competing interactions, frustration, and instabilities in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Singh, Avinash; Mohapatra, Shubhajyoti; Ziman, Timothy; Chatterji, Tapan

    2017-02-01

    Spin waves in the type-III ordered antiferromagnetic state of the frustrated t- t ' Hubbard model on the face-centred-cubic (fcc) lattice are calculated to investigate finite-U-induced competing interaction and frustration effects on magnetic excitations and instabilities. Particularly strong competing interactions generated due to the interplay of fcc lattice geometry and magnetic order result in significant spin wave softening. The calculated spin wave dispersion is found to be in qualitative agreement with the measured spin wave dispersion in the pyrite mineral MnS2 obtained from inelastic neutron scattering experiments. Instabilities to other magnetic orders (type I, type II, spiral, non-collinear), as signalled by spin wave energies turning negative, are also discussed.

  14. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    NASA Astrophysics Data System (ADS)

    Dias, R. G.; Gouveia, J. D.

    2015-11-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette.

  15. Origami rules for the construction of localized eigenstates of the Hubbard model in decorated lattices

    PubMed Central

    Dias, R. G.; Gouveia, J. D.

    2015-01-01

    We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette. PMID:26581296

  16. Magnetospheric mapping with quantitative geomagnetic field models

    NASA Technical Reports Server (NTRS)

    Fairfield, D. H.; Mead, G. D.

    1973-01-01

    The Mead-Fairfield geomagnetic field models were used to trace field lines between the outer magnetosphere and the earth's surface. The results are presented in terms of ground latitude and local time contours projected to the equatorial plane and into the geomagnetic tail. With these contours various observations can be mapped along field lines between high and low altitudes. Low altitudes observations of the polar cap boundary, the polar cusp, the energetic electron trapping boundary and the sunward convection region are projected to the equatorial plane and compared with the results of the model and with each other. The results provide quantitative support to the earlier suggestions that the trapping boundary is associated with the last closed field line in the sunward hemisphere, the polar cusp is associated with the region of the last closed field line, and the polar cap projects to the geomagnetic tail and has a low latitude boundary corresponding to the last closed field line.

  17. Electrostatic potential map modelling with COSY Infinity

    NASA Astrophysics Data System (ADS)

    Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.

    2016-06-01

    COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.

  18. Electronic correlations in the Hubbard model on a bi-partite lattice

    NASA Astrophysics Data System (ADS)

    Ameen, Wissam A.; Walet, Niels R.; Xian, Yang

    2017-03-01

    In this work we study the Hubbard model on a bi-partite lattice using the coupled-cluster method (CCM). We first investigate how to implement this approach in order to reproduce the lack of magnetic order in the 1D model, as predicted by the exact Bethe-Ansatz solution. This result can only be reproduced if we include an algebraic correlation in some of the coupled-cluster model coefficients. Using the correspondence between the Heisenberg model and the Hubbard model in the large-coupling limit, we use very accurate results for the CCM applied to the Heisenberg and its generalisation, the XXZ model, to determine CCM coefficients with the correct properties. Using the same approach we then study the 2D Hubbard model on a square and a honeycomb lattice, both of which can be thought of as simplified models of real 2D materials. We analyse the charge and spin excitations, and show that with care we can obtain good results.

  19. MCFET - A MICROSTRUCTURAL LATTICE MODEL FOR STRAIN ORIENTED PROBLEMS: A COMBINED MONTE CARLO FINITE ELEMENT TECHNIQUE

    NASA Technical Reports Server (NTRS)

    Gayda, J.

    1994-01-01

    A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, has been developed to simulate microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. Since many of the physical properties of materials are determined by microstructure, it is important to be able to predict and control microstructural development. MCFET uses a microstructural lattice model that can incorporate all relevant driving forces and kinetic considerations. Unlike molecular dynamics, this approach was developed specifically to predict macroscopic behavior, not atomistic behavior. In this approach, the microstructure is discretized into a fine lattice. Each element in the lattice is labeled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis has been validated by comparing this approach with a closed-form, analytical method for stress-assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analyses for multiparticle problems have also been run and, in general, the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperatures. This program is written in FORTRAN for use on a 370 series IBM mainframe. It has been implemented on an IBM 370 running VM/SP and an IBM 3084 running MVS. It requires the IMSL math library and 220K of RAM for execution. The standard distribution medium for this program is a 9-track 1600 BPI magnetic tape in EBCDIC format.

  20. Stochastic models for human gene mapping

    SciTech Connect

    Goradia, T.M.

    1992-01-01

    This thesis examines a variety of gene mapping experiments and recommends, on the basis of stochastic and combinatorial analysis, improved experimental designs. Somatic cell hybrid panels can localize genes to particular chromosomes or chromosomal regions. Although the redundancy within randomly generated panels may be beneficial, probability calculations reveal their inefficiency. Equally good panels with far fewer clones can be constructed by choosing clones from pre-existing collection of clones. The method of simulated annealing is suggested for judiciously selecting small, informative panels from larger existing collections of clones. A more difficult exercise is mapping a gene relative to syntenic genes on the basis of genetic distance. Traditional methods of pedigree analysis are able to accomplish this to a great extent. Automatic genotype elimination algorithms for a single locus play a central role in making likelihood computations on human pedigree data feasible. A simple algorithm that is fully efficient in pedigrees without loops is presented. This algorithm can be easily coded and is instrumental in reducing computing times for pedigree analysis. Alternative methods are needed for high-resolution gene mapping. Three-locus sperm typing and its implications for the estimation of recombination fractions and for locus ordering are examined. Comparisons are made among some sequential stopping rules for three-locus order assignment. Poissonization and other stochastic methods are used for approximating the mean stopping times and error probabilities. A trisection strategy for ordering a new locus relative to an existing set of loci is proposed. When used in conjunction with Bayesian methods, this trisection strategy has attractive optimality properties. The genetic distance between the [sup G][gamma] globin locus and the parathyroid hormone locus is verified by a probabilistic model that accounts for the major sources of laboratory error.

  1. Problems In Indoor Mapping and Modelling

    NASA Astrophysics Data System (ADS)

    Zlatanova, S.; Sithole, G.; Nakagawa, M.; Zhu, Q.

    2013-11-01

    Research in support of indoor mapping and modelling (IMM) has been active for over thirty years. This research has come in the form of As-Built surveys, Data structuring, Visualisation techniques, Navigation models and so forth. Much of this research is founded on advancements in photogrammetry, computer vision and image analysis, computer graphics, robotics, laser scanning and many others. While IMM used to be the privy of engineers, planners, consultants, contractors, and designers, this is no longer the case as commercial enterprises and individuals are also beginning to apply indoor models in their business process and applications. There are three main reasons for this. Firstly, the last two decades have seen greater use of spatial information by enterprises and the public. Secondly, IMM has been complimented by advancements in mobile computing and internet communications, making it easier than ever to access and interact with spatial information. Thirdly, indoor modelling has been advanced geometrically and semantically, opening doors for developing user-oriented, context-aware applications. This reshaping of the public's attitude and expectations with regards to spatial information has realised new applications and spurred demand for indoor models and the tools to use them. This paper examines the present state of IMM and considers the research areas that deserve attention in the future. In particular the paper considers problems in IMM that are relevant to commercial enterprises and the general public, groups this paper expects will emerge as the greatest users IMM. The subject of indoor modelling and mapping is discussed here in terms of Acquisitions and Sensors, Data Structures and Modelling, Visualisation, Applications, Legal Issues and Standards. Problems are discussed in terms of those that exist and those that are emerging. Existing problems are those that are currently being researched. Emerging problems are those problems or demands that are

  2. A unifying modeling framework for highly multivariate disease mapping.

    PubMed

    Botella-Rocamora, P; Martinez-Beneito, M A; Banerjee, S

    2015-04-30

    Multivariate disease mapping refers to the joint mapping of multiple diseases from regionally aggregated data and continues to be the subject of considerable attention for biostatisticians and spatial epidemiologists. The key issue is to map multiple diseases accounting for any correlations among themselves. Recently, Martinez-Beneito (2013) provided a unifying framework for multivariate disease mapping. While attractive in that it colligates a variety of existing statistical models for mapping multiple diseases, this and other existing approaches are computationally burdensome and preclude the multivariate analysis of moderate to large numbers of diseases. Here, we propose an alternative reformulation that accrues substantial computational benefits enabling the joint mapping of tens of diseases. Furthermore, the approach subsumes almost all existing classes of multivariate disease mapping models and offers substantial insight into the properties of statistical disease mapping models.

  3. The Fredrickson-Andersen model with random pinning on Bethe lattices and its MCT transitions

    NASA Astrophysics Data System (ADS)

    Ikeda, Harukuni; Miyazaki, Kunimasa; Biroli, Giulio

    2016-12-01

    We investigate the dynamics of the randomly pinned Fredrickson-Andersen model on the Bethe lattice. We find a line of random pinning dynamical transitions whose dynamical critical properties are in the same universality class of the A 2 and A 3 transitions of the mode coupling theory. The A 3 behavior appears at the terminal point, where the relaxation becomes logarithmic and the relaxation time diverges exponentially. We explain the critical behavior in terms of self-induced disorder and avalanches, strengthening the relationship discussed in recent works between glassy dynamics and random field Ising model.

  4. Ferrimagnetism and single-particle excitations in a periodic Anderson model on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Seki, Kazuhiro; Shirakawa, Tomonori; Zhang, Qinfang; Li, Tao; Yunoki, Seiji

    2015-04-01

    By using the variationalcluster approximation and cluster perturbation theory, we investigate the magnetism and single-particle excitations of a periodic Anderson model on the honeycomb lattice as an effective model for the single-side hydrogenated graphene, namely, graphone. We calculate the magnetic moment as a function of U (Coulomb interaction on impurity sites) with showing that the ground state is ferrimagneticfor any U > 0. We then calculate the single-particle excitations and show that the single-particle excitations are gapless and exhibit quadratic dispersion relation near the Fermi energy.

  5. Lattice calculation of non-gaussian density perturbations from the massless preheating inflationary model.

    PubMed

    Chambers, Alex; Rajantie, Arttu

    2008-02-01

    If light scalar fields are present at the end of inflation, their nonequilibrium dynamics such as parametric resonance or a phase transition can produce non-Gaussian density perturbations. We show how these perturbations can be calculated using nonlinear lattice field theory simulations and the separate universe approximation. In the massless preheating model, we find that some parameter values are excluded while others lead to acceptable but observable levels of non-Gaussianity. This shows that preheating can be an important factor in assessing the viability of inflationary models.

  6. Reversible Reshaping of Supported Metal Nanoislands Under Reaction Conditions in a Minimalistic Lattice Model

    NASA Astrophysics Data System (ADS)

    Korobov, A.

    2016-05-01

    The shape of (nano)islands is among significant factors of the catalytic activity of supported catalysts. A lattice model of the reshaping under reaction conditions is suggested and studied by means of kinetic Monte Carlo simulations. It is rooted in experimental findings and is simplified as far as possible to still demonstrate reversible compact—ramified shape transitions. This simple model with complex behavior demonstrates several reshaping regimes and is considered as a possible sub-network of more realistic networks of heterogeneous catalytic reactions.

  7. Phase twisted modes and current reversals in a lattice model of waveguide arrays with nonlinear coupling

    SciTech Connect

    Oester, Michael; Johansson, Magnus

    2005-02-01

    We consider a lattice model for waveguide arrays embedded in nonlinear Kerr media. Inclusion of nonlinear coupling results in many phenomena involving complex, phase-twisted, stationary modes. The norm (Poynting power) current of stable plane-wave solutions can be controlled in magnitude and direction, and may be reversed without symmetry-breaking perturbations. Also stable localized phase-twisted modes with zero current exist, which for particular parameter values may be compact and expressed analytically. The model also describes coupled Bose-Einstein condensates.

  8. Mapping Venus: Modeling the Magellan Mission.

    ERIC Educational Resources Information Center

    Richardson, Doug

    1997-01-01

    Provides details of an activity designed to help students understand the relationship between astronomy and geology. Applies concepts of space research and map-making technology to the construction of a topographic map of a simulated section of Venus. (DDR)

  9. Simulation of arrested salt wedges with a multi-layer Shallow Water Lattice Boltzmann model

    NASA Astrophysics Data System (ADS)

    Prestininzi, P.; Montessori, A.; La Rocca, M.; Sciortino, G.

    2016-10-01

    The ability to accurately and efficiently model the intrusion of salt wedges into river beds is crucial to assay its interaction with human activities and the natural environment. We present a 2D multi-layer Shallow Water Lattice Boltzmann (SWLB) model able to predict the salt wedge intrusion in river estuaries. The formulation usually employed for the simulation of gravity currents is here equipped with proper boundary conditions to handle both the downstream seaside outlet and the upstream river inlet. Firstly, the model is validated against highly accurate semi-analytical solutions of the steady state 1D two-layer Shallow Water model. Secondly, the model is applied to a more complex, fully 3D geometry, to assess its capability to handle realistic cases. The simple formulation proposed for the shear interlayer stress is proven to be consistent with the general 3D viscous solution. In addition to the accuracy, the model inherits the efficiency of the Lattice Boltzmann approach to fluid dynamics problems.

  10. Quantum critical behavior of the quantum Ising model on fractal lattices.

    PubMed

    Yi, Hangmo

    2015-01-01

    I study the properties of the quantum critical point of the transverse-field quantum Ising model on various fractal lattices such as the Sierpiński carpet, Sierpiński gasket, and Sierpiński tetrahedron. Using a continuous-time quantum Monte Carlo simulation method and finite-size scaling analysis, I identify the quantum critical point and investigate its scaling properties. Among others, I calculate the dynamic critical exponent and find that it is greater than one for all three structures. The fact that it deviates from one is a direct consequence of the fractal structures not being integer-dimensional regular lattices. Other critical exponents are also calculated. The exponents are different from those of the classical critical point and satisfy the quantum scaling relation, thus confirming that I have indeed found the quantum critical point. I find that the Sierpiński tetrahedron, of which the dimension is exactly 2, belongs to a different universality class than that of the two-dimensional square lattice. I conclude that the critical exponents depend on more details of the structure than just the dimension and the symmetry.

  11. Modeling of yttrium, oxygen atoms and vacancies in γ-iron lattice

    NASA Astrophysics Data System (ADS)

    Gopejenko, Aleksejs; Zhukovskii, Yuri F.; Vladimirov, Pavel V.; Kotomin, Eugene A.; Möslang, Anton

    2011-09-01

    Development of the oxide dispersion strengthened (ODS) steels for fission and fusion reactors requires a deep understanding of the mechanism and kinetics of Y 2O 3 nanoparticle precipitation in the steel matrix. Therefore, it is necessary to perform a large-scale theoretical modeling of the Y 2O 3 formation. In the current study, a series of first-principles calculations have been performed on different elementary clusters consisting of pair and triple solute atoms and containing: (i) the Y-Fe-vacancy pairs, (ii) the two Y atoms substituted for Fe lattice atoms and (iii) the O impurity atoms dissolved in the steel matrix. The latter is represented by a face-centered cubic γ-Fe single crystal. This structure is relevant because a transition to γ-phase occurs in low Cr ferritic-martensitic steels at typically hot isostatic pressing temperatures. The results clearly demonstrate a certain attraction between the Y substitute and Fe vacancy whereas no binding has been found between the two Y substitute atoms. Results of calculations on different Y-O-Y cluster configurations in lattice show that not only a presence of oxygen atom favors a certain binding between the impurity atoms inside the γ-Fe lattice but also the increased concentration of Fe vacancies is required for the growth of the Y 2O 3 precipitates within the iron crystalline matrix.

  12. Asymptotics of the monomer-dimer model on two-dimensional semi-infinite lattices.

    PubMed

    Kong, Yong

    2007-05-01

    By using the asymptotic theory of Pemantle and Wilson [R. Pemantle and M. C. Wilson, J. Comb. Theory, Ser. A10.1006/jcta.2001.3201 97, 129 (2002)], asymptotic expansions of the free energy of the monomer-dimer model on two-dimensional semi-infinite infinity x n lattices in terms of dimer density are obtained for small values of n , at both high- and low-dimer-density limits. In the high-dimer-density limit, the theoretical results confirm the dependence of the free energy on the parity of n , a result obtained previously by computational methods by Y. Kong [Y. Kong, Phys. Rev. E10.1103/PhysRevE.74.061102 74, 061102 (2006); Phys. Rev. E10.1103/PhysRevE.73.016106 73, 016106 (2006);Phys. Rev. E10.1103/PhysRevE.74.011102 74, 011102 (2006)]. In the low-dimer-density limit, the free energy on a cylinder infinity x n lattice strip has exactly the same first n terms in the series expansion as that of an infinite infinity x infinity lattice.

  13. Supporting the search for the CEP location with nonlocal PNJL models constrained by lattice QCD

    NASA Astrophysics Data System (ADS)

    Contrera, Gustavo A.; Grunfeld, A. Gabriela; Blaschke, David

    2016-08-01

    We investigate the possible location of the critical endpoint in the QCD phase diagram based on nonlocal covariant PNJL models including a vector interaction channel. The form factors of the covariant interaction are constrained by lattice QCD data for the quark propagator. The comparison of our results for the pressure including the pion contribution and the scaled pressure shift Δ P/ T 4 vs. T/ T c with lattice QCD results shows a better agreement when Lorentzian form factors for the nonlocal interactions and the wave function renormalization are considered. The strength of the vector coupling is used as a free parameter which influences results at finite baryochemical potential. It is used to adjust the slope of the pseudocritical temperature of the chiral phase transition at low baryochemical potential and the scaled pressure shift accessible in lattice QCD simulations. Our study, albeit presently performed at the mean-field level, supports the very existence of a critical point and favors its location within a region that is accessible in experiments at the NICA accelerator complex.

  14. Modelling of acoustic waves propagating in nesting Fibonacci super-lattice phononic crystal

    NASA Astrophysics Data System (ADS)

    Zhao, Min; Qi, Hai-Feng; Xu, Jia-Hui; Xie, Ya-Zhuo; Zhang, Xing-Gan; Gao, Jian

    2014-07-01

    Herein, we report construction of one kind of nesting-Fibonacci-super-lattice phononic crystal, in which the super-lattice cell is a well-defined Fibonacci generation sequence. We present a comparative study on band-gap structures of acoustic waves propagating in one-dimensional, nesting Fibonacci-periodic structure and simple-periodic structure. We find that there are more band gaps in nesting Fibonacci super-lattice models, and that they present behavior different from the split-up of band gaps with different generation numbers. With the increase of generation number, more band gaps split and occur. Additionally, when generation number becomes larger, Bragg scattering becomes more significant: the characteristic curves become flatter and band gaps become wider. Furthermore, we study the effect of various parameters such as density, thickness and defects on band-gap structures. Our work is significant both for understanding the intrinsic physical properties of nesting Fibonacci sequences and for providing flexible choices to meet real engineering requirements.

  15. Polynomial expansion Monte Carlo study of frustrated itinerant electron systems: Application to a spin-ice type Kondo lattice model on a pyrochlore lattice

    NASA Astrophysics Data System (ADS)

    Ishizuka, Hiroaki; Udagawa, Masafumi; Motome, Yukitoshi

    2013-12-01

    We present the benchmark of the polynomial expansion Monte Carlo method to a Kondo lattice model with classical localized spins on a geometrically frustrated lattice. The method enables us to reduce the calculation amount by using the Chebyshev polynomial expansion of the density of states compared to a conventional Monte Carlo technique based on the exact diagonalization of the fermion Hamiltonian matrix. Further reduction is brought about by a real-space truncation of the vector-matrix operations. We apply the method to the model with spin-ice type Ising spins on a three-dimensional pyrochlore lattice and carefully examine the convergence in terms of the order of polynomials and the truncation distance. We find that, in a wide range of electron density at a relatively weak Kondo coupling compared to the noninteracting bandwidth, the results by the polynomial expansion method show good convergence to those by the conventional method within reasonable numbers of polynomials. This enables us to study the systems up to 4×83=2048 sites, while the previous study by the conventional method was limited to 4×43=256 sites. On the other hand, the real-space truncation is not helpful in reducing the calculation amount for the system sizes that we reached, as the sufficient convergence is obtained when most of the sites are involved within the truncation distance. The necessary truncation distance, however, appears not to show significant system size dependence, suggesting that the truncation method becomes efficient for larger system sizes.

  16. B(s) 0-mixing matrix elements from lattice QCD for the Standard Model and beyond

    NASA Astrophysics Data System (ADS)

    Bazavov, A.; Bernard, C.; Bouchard, C. M.; Chang, C. C.; DeTar, C.; Du, Daping; El-Khadra, A. X.; Freeland, E. D.; Gámiz, E.; Gottlieb, Steven; Heller, U. M.; Kronfeld, A. S.; Laiho, J.; Mackenzie, P. B.; Neil, E. T.; Simone, J.; Sugar, R.; Toussaint, D.; Van de Water, R. S.; Zhou, Ran; Fermilab Lattice; MILC Collaborations

    2016-06-01

    We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B0- and Bs-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B -meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ =1.206 (18 )(6 ), where the second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B -meson oscillation frequencies to determine the CKM matrix elements |Vt d|=8.00 (34 )(8 )×10-3, |Vt s|=39.0 (1.2 )(0.4 )×10-3, and |Vt d/Vt s|=0.2052 (31 )(10 ), which differ from CKM-unitarity expectations by about 2 σ . These results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.

  17. Lattice QCD and physics beyond the Standar Model: an experimentalist perspective

    NASA Astrophysics Data System (ADS)

    Artuso, Marina

    2017-01-01

    The new frontier in elementary particle physics is to find evidence for new physics that may lead to a deeper understanding of observations such as the baryon-antibaryon asymmetry of the universe, mass hierarchy, dark matter, or dark energy to name a few. Flavor physics provides a wealth of opportunities to find such signatures, and a vast body of data taken at e+e- b-factories and at hadron machines has provided valuable information, and a few tantalizing ``tensions'' with respect to the Standard Model predictions. While the window for new physics is still open, the chance that its manifestations will be subtle is very real. A vibrant experimental program is ongoing, and significant upgrades, such as the upgraded LHCb experiment at LHC and Belle 2 at KEKb, are imminent. One of the challenges in extracting new physics from flavor physics data is the need to relate observed hadron decays to fundamental particles and interactions. The continuous improvement of Lattice QCD predictions is a key element to achieve success in this quest. Improvements in algorithms and hardware have led to predictions of increasing precision on several fundamental matrix elements, and the continuous breaking of new grounds, thus allowing a broader spectrum of measurements to become relevant to this quest. An important aspect of the experiment-lattice synergy is a comparison between lattice predictions with experiment for a variety of hadronic quantities. This talk summarizes current synergies between lattice QCD theory and flavor physics experiments, and gives some highlights of expectations from future upgrades. this work was supported by NSF.

  18. Improved lattice Boltzmann model for multi-component diffusion flow with large pressure difference

    NASA Astrophysics Data System (ADS)

    Liu, Fu-Min; Wang, An-Lin; Qiu, Ruo-Fan; Jiang, Tao

    2016-05-01

    The pseudopotential lattice Boltzmann model has been widely used to solve multi-phase and multi-component flow problems. However, original pseudopotential model cannot be used in simulating diffusion flow with large pressure difference because of its limitation. In this paper, we incorporate pseudopotential model with a new form of effective mass to solve this problem based on the relationship between pressure difference and effective mass. The improved model is verified through Laplace’s law and binary immiscible Poiseuille flow. By simulating pipeline binary diffusion flow and two-inlet binary cavity jet flow, we show that the improved model can achieve larger pressure difference than pseudopotential model with traditional effective mass forms.

  19. NASA Lunar and Planetary Mapping and Modeling

    NASA Astrophysics Data System (ADS)

    Day, Brian; Law, Emily

    2016-10-01

    NASA's Lunar and Planetary Mapping and Modeling Portals provide web-based suites of interactive visualization and analysis tools to enable mission planners, planetary scientists, students, and the general public to access mapped lunar data products from past and current missions for the Moon, Mars, and Vesta. New portals for additional planetary bodies are being planned. This presentation will recap some of the enhancements to these products during the past year and preview work currently being undertaken.New data products added to the Lunar Mapping and Modeling Portal (LMMP) include both generalized products as well as polar data products specifically targeting potential sites for the Resource Prospector mission. New tools being developed include traverse planning and surface potential analysis. Current development work on LMMP also includes facilitating mission planning and data management for lunar CubeSat missions. Looking ahead, LMMP is working with the NASA Astromaterials Office to integrate with their Lunar Apollo Sample database to help better visualize the geographic contexts of retrieved samples. All of this will be done within the framework of a new user interface which, among other improvements, will provide significantly enhanced 3D visualizations and navigation.Mars Trek, the project's Mars portal, has now been assigned by NASA's Planetary Science Division to support site selection and analysis for the Mars 2020 Rover mission as well as for the Mars Human Landing Exploration Zone Sites, and is being enhanced with data products and analysis tools specifically requested by the proposing teams for the various sites. NASA Headquarters is giving high priority to Mars Trek's use as a means to directly involve the public in these upcoming missions, letting them explore the areas the agency is focusing upon, understand what makes these sites so fascinating, follow the selection process, and get caught up in the excitement of exploring Mars.The portals also

  20. Crystallographic Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-06-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.

  1. Crystallographic Lattice Boltzmann Method

    PubMed Central

    Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh

    2016-01-01

    Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098

  2. Ground states of the Ising model on an anisotropic triangular lattice: stripes and zigzags.

    PubMed

    Dublenych, Yu I

    2013-10-09

    A complete solution of the ground-state problem for the Ising model on an anisotropic triangular lattice with the nearest-neighbor interactions in a magnetic field is presented. It is shown that this problem can be reduced to the ground-state problem for an infinite chain with the interactions up to the second neighbors. In addition to the known ground-state structures (which correspond to full-dimensional regions in the parameter space of the model), new structures are found (at the boundaries of these regions), in particular, zigzagging stripes similar to those observed experimentally in colloidal monolayers. Though the number of parameters is relatively large (four), all the ground-state structures of the model are constructed and analyzed and therefore the paper can be considered as an example of a complete solution of a ground-state problem for classical spin or lattice-gas models. The paper can also help to verify the correctness of some results obtained previously by other authors and concerning the ground states of the model under consideration.

  3. A lattice Boltzmann-Saltation model and its simulation of aeolian saltation at porous fences

    NASA Astrophysics Data System (ADS)

    Shi, Xiao Fei; Xi, Ping; Wu, Jian Jun

    2015-04-01

    This paper introduces a 2D lattice Boltzmann-Saltation (LBM-Saltation) model for numerical simulation of velocity profiles of windblown sand particles. The model is based on the LBM equations for transient, incompressible viscous flow. We first introduced a lattice Boltzmann subgrid model, which was used to predict the turbulent wind field. Two-way coupling was then used to describe the interaction between wind and the saltating sand particles. The correctness of the model was verified by comparing the simulated results of several important variables of wind-sand flow with that of experiment over a flat bed surface. To show the feasibility of this model with complex boundary conditions, we used it to simulate the wind-sand flow at porous wind fences and mainly discussed the particle velocity profiles. Single porous wind fence case was computed first and compared with the measurement. Two tandem porous wind fences cases were simulated next. Different distance and porosity of the fences were considered to quantitatively investigate the variation of the shelter effect. The simulated results achieved additional conclusions: The wind speed and the velocity of sand particles are obviously weakened because of the fence; reduction of the particle velocity by porous fence varies with the fence distance and porosity; the larger the distance or the porosity (significantly larger than the 0.3), the worse the shelter effect, and the weaker the reduction of particle velocity.

  4. An exact solution on the ferromagnetic face-cubic spin model on a Bethe lattice

    NASA Astrophysics Data System (ADS)

    Ohanyan, V. R.; Ananikyan, L. N.; Ananikian, N. S.

    2007-04-01

    The lattice spin model with Q-component discrete spin variables restricted to have orientations orthogonal to the faces of Q-dimensional hypercube is considered on the Bethe lattice, the recursive graph which contains no cycles. The partition function of the model with dipole-dipole and quadrupole-quadrupole interaction for arbitrary planar graph is presented in terms of double graph expansions. The latter is calculated exactly in case of trees. The system of two recurrent relations (RR) which allows to calculate all thermodynamic characteristics of the model is obtained. The correspondence between thermodynamic phases and different types of fixed points of the RR is established. Using the technique of simple iterations the plots of the zero field magnetization and quadrupolar moment are obtained. Analyzing the regions of stability of different types of fixed points of the system of recurrent relations the phase diagrams of the model are plotted. For Q⩽2 the phase diagram of the model is found to have three tricritical points, whereas for Q>2 there are one triple and one tricritical points.

  5. Unconventional quantum ordered and disordered states in the highly frustrated spin-(1)/(2) Ising-Heisenberg model on triangles-in-triangles lattices

    NASA Astrophysics Data System (ADS)

    Čisárová, Jana; Strečka, Jozef

    2013-01-01

    The spin-(1)/(2) Ising-Heisenberg model on two geometrically related triangles-in-triangles lattices is exactly solved through the generalized star-triangle transformation, which establishes a rigorous mapping correspondence with the effective spin-(1)/(2) Ising model on a triangular lattice. Basic thermodynamic quantities were exactly calculated within this rigorous mapping method along with the ground-state and finite-temperature phase diagrams. Apart from the classical ferromagnetic phase, both investigated models exhibit several unconventional quantum ordered and disordered ground states. A mutual competition between two ferromagnetic interactions of basically different character generically leads to the emergence of a quantum ferromagnetic phase, in which a symmetric quantum superposition of three up-up-down states of the Heisenberg trimers accompanies a perfect alignment of all Ising spins. In the highly frustrated regime, we have either found the disordered quantum paramagnetic phase with a substantial residual entropy or a similar but spontaneously ordered phase with a nontrivial criticality at finite temperatures. The latter quantum ground state exhibits a striking coexistence of imperfect spontaneous order with partial disorder, which is evidenced by a quantum reduction of the spontaneous magnetization of Heisenberg spins that indirectly causes a small reduction of the spontaneous magnetization of otherwise classical Ising spins.

  6. Structural Modeling Using "Scanning and Mapping" Technique

    NASA Technical Reports Server (NTRS)

    Amos, Courtney L.; Dash, Gerald S.; Shen, J. Y.; Ferguson, Frederick; Noga, Donald F. (Technical Monitor)

    2000-01-01

    Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar

  7. Analysis and downscaling multi-model seasonal forecasts in Peru using self-organizing maps

    NASA Astrophysics Data System (ADS)

    Gutiérrez, J. M.; Cano, R.; Cofiño, A. S.; Sordo, C.

    2005-05-01

    We present an application of self-organizing maps (SOMs) for analysing multi-model ensemble seasonal forecasts from the DEMETER project in the tropical area of Northern Peru. The SOM is an automatic data-mining clustering technique, which allows us to summarize a high-dimensional data space in terms of a set of reference vectors (cluster centroids). Moreover, it has outstanding analysis and visualization properties, because the reference vectors can be projected into a two-dimensional lattice, preserving their high-dimensional topology.In the first part of the paper, the SOM is applied to analyse both atmospheric patterns over Peru and local precipitation observations at two nearby stations. First, the method is applied to cluster the ERA40 reanalysis patterns on the area of study (Northern Peru), obtaining a two-dimensional lattice which represents the climatology. Then, each particular phenomenon or event (e.g. El Niño or La Niña) is shown to define a probability density function (PDF) on the lattice, which represents its characteristic 'location' within the climatology. On the other hand, the climatological lattice is also used to represent the local precipitation regime associated with a given station. For instance, we show that the precipitation regime is strongly associated with El Niño events for one station, whereas it is more uniform for the other.The second part of the paper is devoted to downscaling seasonal ensemble forecasts from the multi-model DEMETER ensemble to local stations. To this aim, the PDF generated on the lattice by the patterns predicted for a particular season is combined with the local precipitation lattice for a given station. Thus, a probabilistic or numeric local forecast is easily obtained from the resulting PDF. Moreover, a measure of predictability for the downscaled forecast can be computed in terms of the entropy of the ensemble PDF. We present some evidence that accurate local predictions for accumulated seasonal

  8. Critical lines for a generalized three state binary gas-liquid lattice model

    NASA Astrophysics Data System (ADS)

    Meijer, Paul H. E.; Keskin, Mustafa; Pegg, Ian L.

    1988-02-01

    The critical properties of several compressible binary gas-liquid models are described: the three state lattice gas, the Tompa model for polymer solutions, the van der Waals equation for binary mixtures, and an intermediate model. The critical lines are expressed as functions of x1 and x2, the density of type 1 molecules and the density of type 2 molecules, instead of using the pressure and temperature; representative figures are given for each of the models. The general conditions for criticality, stability, and tricriticality are given as functions of x1 and x2 through the intermediary of the spinodal temperature function T(x1,x2). A closed form solution is given for the Berthelot case (geometrical-mean combining rule). All the models exhibit a characteristic intersection of two critical lines, and the behavior near this point is investigated. In the van der Waals case we confirm the coordinates given by van Laar.

  9. Evolution of off-lattice model proteins under ligand binding constraints

    NASA Astrophysics Data System (ADS)

    Nelson, Erik D.; Grishin, Nick V.

    2016-08-01

    We investigate protein evolution using an off-lattice polymer model evolved to imitate the behavior of small enzymes. Model proteins evolve through mutations to nucleotide sequences (including insertions and deletions) and are selected to fold and maintain a specific binding site compatible with a model ligand. We show that this requirement is, in itself, sufficient to maintain an ordered folding domain, and we compare it to the requirement of folding an ordered (but otherwise unrestricted) domain. We measure rates of amino acid change as a function of local environment properties such as solvent exposure, packing density, and distance from the active site, as well as overall rates of sequence and structure change, both along and among model lineages in star phylogenies. The model recapitulates essentially all of the behavior found in protein phylogenetic analyses, and predicts that amino acid substitution rates vary linearly with distance from the binding site.

  10. Evidence for columnar order in the fully frustrated transverse field Ising model on the square lattice.

    PubMed

    Wenzel, Sandro; Coletta, Tommaso; Korshunov, Sergey E; Mila, Frédéric

    2012-11-02

    Using extensive classical and quantum Monte Carlo simulations, we investigate the ground-state phase diagram of the fully frustrated transverse field Ising model on the square lattice. We show that pure columnar order develops in the low-field phase above a surprisingly large length scale, below which an effective U(1) symmetry is present. The same conclusion applies to the quantum dimer model with purely kinetic energy, to which the model reduces in the zero-field limit, as well as to the stacked classical version of the model. By contrast, the 2D classical version of the model is shown to develop plaquette order. Semiclassical arguments show that the transition from plaquette to columnar order is a consequence of quantum fluctuations.

  11. Gauge symmetry and non-Abelian topological sectors in a geometrically constrained model on the honeycomb lattice.

    PubMed

    Fendley, Paul; Moore, Joel E; Xu, Cenke

    2007-05-01

    We study a constrained statistical-mechanical model in two dimensions that has three useful descriptions. They are (i) the Ising model on the honeycomb lattice, constrained to have three up spins and three down spins on every hexagon, (ii) the three-color and fully packed loop model on the links of the honeycomb lattice, with loops around a single hexagon forbidden, and (iii) three Ising models on interleaved triangular lattices, with domain walls of the different Ising models not allowed to cross. Unlike the three-color model, the configuration space on the sphere or plane is connected under local moves. On higher-genus surfaces there are infinitely many dynamical sectors, labeled by a noncontractible set of nonintersecting loops. We demonstrate that at infinite temperature the transfer matrix admits an unusual structure related to a gauge symmetry for the same model on an anisotropic lattice. This enables us to diagonalize the original transfer matrix for up to 36 sites, finding an entropy per plaquette S/k{B} approximately 0.3661 ... centered and substantial evidence that the model is not critical. We also find the striking property that the eigenvalues of the transfer matrix on an anisotropic lattice are given in terms of Fibonacci numbers. We comment on the possibility of a topological phase, with infinite topological degeneracy, in an associated two-dimensional quantum model.

  12. Application of the S=1 underscreened Anderson lattice model to Kondo uranium and neptunium compounds

    NASA Astrophysics Data System (ADS)

    Thomas, Christopher; da Rosa Simões, Acirete S.; Iglesias, J. R.; Lacroix, C.; Perkins, N. B.; Coqblin, B.

    2011-01-01

    Magnetic properties of uranium and neptunium compounds showing the coexistence of the Kondo screening effect and ferromagnetic order are investigated within the Anderson lattice Hamiltonian with a two-fold degenerate f level in each site, corresponding to 5f2 electronic configuration with S=1 spins. A derivation of the Schrieffer-Wolff transformation is presented and the resulting Hamiltonian has an effective f-band term, in addition to the regular exchange Kondo interaction between the S=1 f spins and the s=1/2 spins of the conduction electrons. The resulting effective Kondo lattice model can describe both the Kondo regime and a weak delocalization of the 5f electrons. Within this model we compute the Kondo and Curie temperatures as a function of model parameters, namely the Kondo exchange interaction constant JK, the magnetic intersite exchange interaction JH, and the effective f bandwidth. We deduce, therefore, a phase diagram of the model which yields the coexistence of the Kondo effect and ferromagnetic ordering and also accounts for the pressure dependence of the Curie temperature of uranium compounds such as UTe.

  13. Critical Casimir force and its fluctuations in lattice spin models: exact and Monte Carlo results.

    PubMed

    Dantchev, Daniel; Krech, Michael

    2004-04-01

    We present general arguments and construct a stress tensor operator for finite lattice spin models. The average value of this operator gives the Casimir force of the system close to the bulk critical temperature T(c). We verify our arguments via exact results for the force in the two-dimensional Ising model, d -dimensional Gaussian, and mean spherical model with 2models we demonstrate that the standard deviation of the Casimir force F(C) in a slab geometry confining a critical substance in-between is k(b) TD(T) (A/ a(d-1) )(1/2), where A is the surface area of the plates, a is the lattice spacing, and D(T) is a slowly varying nonuniversal function of the temperature T. The numerical calculations demonstrate that at the critical temperature T(c) the force possesses a Gaussian distribution centered at the mean value of the force = k(b) T(c) (d-1)Delta/ (L/a)(d), where L is the distance between the plates and Delta is the (universal) Casimir amplitude.

  14. Iterative build OMIT maps: Map improvement by iterative model-building and refinement without model bias

    SciTech Connect

    Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England; Terwilliger, Thomas; Terwilliger, T.C.; Grosse-Kunstleve, Ralf Wilhelm; Afonine, P.V.; Moriarty, N.W.; Zwart, P.H.; Hung, L.-W.; Read, R.J.; Adams, P.D.

    2008-02-12

    A procedure for carrying out iterative model-building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'Iterative-Build' OMIT map that is everywhere unbiased by an atomic model but also everywhere benefiting from the model-based information present elsewhere in the unit cell. The procedure may have applications in the validation of specific features in atomic models as well as in overall model validation. The procedure is demonstrated with a molecular replacement structure and with an experimentally-phased structure, and a variation on the method is demonstrated by removing model bias from a structure from the Protein Data Bank.

  15. Critical points of the O(n) loop model on the martini and the 3-12 lattices

    NASA Astrophysics Data System (ADS)

    Ding, Chengxiang; Fu, Zhe; Guo, Wenan

    2012-06-01

    We derive the critical line of the O(n) loop model on the martini lattice as a function of the loop weight n basing on the critical points on the honeycomb lattice conjectured by Nienhuis [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.49.1062 49, 1062 (1982)]. In the limit n→0 we prove the connective constant μ=1.7505645579⋯ of self-avoiding walks on the martini lattice. A finite-size scaling analysis based on transfer matrix calculations is also performed. The numerical results coincide with the theoretical predictions with a very high accuracy. Using similar numerical methods, we also study the O(n) loop model on the 3-12 lattice. We obtain similarly precise agreement with the critical points given by Batchelor [J. Stat. Phys.JSTPBS0022-471510.1023/A:1023065215233 92, 1203 (1998)].

  16. Parameterized Lattice Strain Models for REE Partitioning between Amphibole and Silicate Melt

    NASA Astrophysics Data System (ADS)

    Shimizu, K.; Liang, Y.; Sun, C.; Jackson, C.; Saal, A. E.

    2015-12-01

    The distribution of REE between amphibole and silicate melt is important for understanding a variety of igneous processes involving amphibole. In general, amphibole-melt REE partition coefficients (DREE) depend on pressure (P), temperature (T), and compositions of amphibole and melt. A previous study parameterized the DREE in amphibole-melt solely as a function of melt composition [1]. Here, we use published REE partitioning data between amphibole and basaltic melt, the lattice strain model [2], and non-linear least squares regression method to parameterize key partitioning parameters in the lattice strain model (D0, r0, and E) as a function of P, T, and both amphibole and melt compositions. We focus on experimental data obtained by LA-ICP-MS and ion probe, and experiments close to equilibrium. Amphiboles and coexisting melts from the 38 experiments that we compiled span a wide range of compositions with the Mg# of amphibole and melt ranging from 36 to 100 and 15 to 99, respectively. Two models, which give nearly identical results, are explored in this study. In the first model, D0 is a function of T and amphibole composition: it negatively correlates with T and MgM1,2,3 content in amphibole, and positively correlates with TiM1,2,3 content in amphibole. In the second model, D0 is solely a function of the melt composition: it negatively correlates with the mole fraction of Ca in the melt. Interestingly, r0 and E are both constant and identical between the two models, suggesting D0 in the two models are equivalent. The latter allows us to develop a new thermometer for amphibole-melt equilibria. As an independent test, we compared model-derived temperatures with those reported in the phase equilibrium experiments. The predicted temperatures are within ±41°C on average of the reported temperatures, adding confidence to our parameterizations of D0. Our two parameterized lattice strain models can be used to model REE fractionation between amphibole and basaltic melts

  17. Recovering map static nonlinearities from chaotic data using dynamical models

    NASA Astrophysics Data System (ADS)

    Aguirre, Luis Antonio

    1997-02-01

    This paper is concerned with the estimation from chaotic data of maps with static nonlinearities. A number of issues concerning model construction such as structure selection, over-parametrization and model validation are discussed in the light of the shape of the static non-linearities reproduced by the estimated maps. A new interpretation of term clusters and cluster coefficients of polynomial models is provided based on this approach. The paper discusses model limitations and some useful principles to select the structure of nonlinear maps. Some of the ideas have been tested using several nonlinear systems including a boost voltage regulator map and a set of real data from a chaotic circuit.

  18. Orbital ice: An exact Coulomb phase on the diamond lattice

    SciTech Connect

    Chern Giawei; Wu Congjun

    2011-12-15

    We demonstrate the existence of an orbital Coulomb phase as the exact ground state of a p-orbital exchange Hamiltonian on the diamond lattice. The Coulomb phase is an emergent state characterized by algebraic dipolar correlations and a gauge structure resulting from local constraints (ice rules) of the underlying lattice models. For most ice models on the pyrochlore lattice, these local constraints are a direct consequence of minimizing the energy of each individual tetrahedron. On the contrary, the orbital ice rules are emergent phenomena resulting from the quantum orbital dynamics. We show that the orbital ice model exhibits an emergent geometrical frustration by mapping the degenerate quantum orbital ground states to the spin-ice states obeying the 2-in-2-out constraints on the pyrochlore lattice. We also discuss possible realization of the orbital ice model in optical lattices with p-band fermionic cold atoms.

  19. The effect of interruption probability in lattice model of two-lane traffic flow with passing

    NASA Astrophysics Data System (ADS)

    Peng, Guanghan

    2016-11-01

    A new lattice model is proposed by taking into account the interruption probability with passing for two-lane freeway. The effect of interruption probability with passing is investigated about the linear stability condition and the mKdV equation through linear stability analysis and nonlinear analysis, respectively. Furthermore, numerical simulation is carried out to study traffic phenomena resulted from the interruption probability with passing in two-lane system. The results show that the interruption probability with passing can improve the stability of traffic flow for low reaction coefficient while the interruption probability with passing can destroy the stability of traffic flow for high reaction coefficient on two-lane highway.

  20. The driver’s anticipation effect with passing in lattice model for two-lane freeway

    NASA Astrophysics Data System (ADS)

    Peng, Guanghan

    2015-09-01

    In this paper, a new lattice model is proposed with the consideration of the driver’s anticipation effect with passing for two-lane traffic system. The linear stability condition and the mKdV equation which are correlative to the driver’s anticipation effect with passing are derived from linear stability analysis and nonlinear analysis, respectively. Numerical simulation shows that the driver’s anticipation effects with passing can efficiently enhance the stability of traffic flow under lane changing on two-lane highway.

  1. Nonlocal field correlation functions on a lattice in the HP{sub 1{sigma}} model

    SciTech Connect

    Orlovsky, V. D. Shevchenko, V. I.

    2010-11-15

    Connected two-point field-strength correlation functions are measured on a lattice in the quaternionic projective {sigma} model within pure SU(2) theory. The correlation lengths extracted from exponential fits for these correlation functions, {lambda}{sub 1}{sup -1} = 1.40(3) GeV and {lambda}{sup -1} = 1.51(3) GeV, are found to be in good agreement with the results of other known calculations. The dependence of bilocal functions on the connector shape is also studied.

  2. New control strategy for the lattice hydrodynamic model of traffic flow

    NASA Astrophysics Data System (ADS)

    Zhu, Chenqiang; Zhong, Shiquan; Li, Guangyu; Ma, Shoufeng

    2017-02-01

    The new delayed-feedback control strategy is applied for lattice hydrodynamic model of traffic flow by considering the control signal of the variation rate of the optimal velocity. The linear stability condition is derived in the frequency-domain with control theory. Then, different feedback gains under the periodic boundary scenery and on-ramp scenery are simulated. The periodic boundary scenery provides an initial small disturbance situation on the circle road, while the on-ramp scenery reproduces the disturbance triggered by the on-ramp on the open road. Both the theoretical analysis and simulations show that this new control signal has a positive effect to suppress traffic jams.

  3. Lieb-Robinson bounds for spin-boson lattice models and trapped ions.

    PubMed

    Jünemann, J; Cadarso, A; Pérez-García, D; Bermudez, A; García-Ripoll, J J

    2013-12-06

    We derive a Lieb-Robinson bound for the propagation of spin correlations in a model of spins interacting through a bosonic lattice field, which satisfies a Lieb-Robinson bound in the absence of spin-boson couplings. We apply these bounds to a system of trapped ions and find that the propagation of spin correlations, as mediated by the phonons of the ion crystal, can be faster than the regimes currently explored in experiments. We propose a scheme to test the bounds by measuring retarded correlation functions via the crystal fluorescence.

  4. Critical behavior of the Ising model on a hierarchical lattice with aperiodic interactions

    NASA Astrophysics Data System (ADS)

    Pinho, S. T. R.; Haddad, T. A. S.; Salinas, S. R.

    We write the exact renormalization-group recursion relations for nearest-neighbor ferromagnetic Ising models on Migdal-Kadanoff hierarchical lattices with a distribution of aperiodic exchange interactions according to a class of substitutional sequences. For small geometric fluctuations, the critical behavior is unchanged with respect to the uniform case. For large fluctuations, as in the case of the Rudin-Shapiro sequence, the uniform fixed point in the parameter space cannot be reached from any physical initial conditions. We derive a criterion to check the relevance of the geometric fluctuations.

  5. A lattice Boltzmann study of non-hydrodynamic effects in shell models of turbulence

    NASA Astrophysics Data System (ADS)

    Benzi, R.; Biferale, L.; Sbragaglia, M.; Succi, S.; Toschi, F.

    2004-10-01

    A lattice Boltzmann scheme simulating the dynamics of shell models of turbulence is developed. The influence of high-order kinetic modes (ghosts) on the dissipative properties of turbulence dynamics is studied. It is analytically found that when ghost fields relax on the same timescale as the hydrodynamic ones, their major effect is a net enhancement of the fluid viscosity. The bare fluid viscosity is recovered by letting ghost fields evolve on a much longer timescale. Analytical results are borne out by high-resolution numerical simulations. These simulations indicate that the hydrodynamic manifold is very robust towards large fluctuations of non-hydrodynamic fields.

  6. Investigation of superlubricity in a two-dimensional Frenkel-Kontorova model with square lattice symmetry

    NASA Astrophysics Data System (ADS)

    Wang, Cang-Long; Duan, Wen-Shan; Hong, Xue-Ren; Chen, Jian-Min

    2008-10-01

    A two-dimensional Frenkel-Kontorova model with a square symmetry substrate potential for a square lattice layer driven by an external driving force with an arbitrary direction α and an arbitrary misfit angle θ between upper and lower layers is presented in this paper. The effects of the system parameters have been investigated. The application of our results to the tribology is discussed and the dependence of the static friction force on the system parameters is studied. How to make the material with superlubricity is suggested.

  7. A study of symmetry restoration at finite temperature in the O(4) model using anisotropic lattices

    NASA Astrophysics Data System (ADS)

    Gavai, R. V.; Heller, U. M.; Karsch, F.; Plache, B.; Neuhaus, T.

    Results of investigations of the O(4) spin model at finite temperature using anisotropic lattices are presented. In both the large N approximation and the numerical simulations using the Wolff cluster algorithm we find that the ratio of the symmetry restoration temperature TSR to the Higgs mass mH is independent of the anisotropy. We obtain a lower bound of 0.59 ± 0.04 for the ratio, T SR/m H, at m H ⋍ 0.5 , which is lowered furhter by about 10% at m Ha ⋍ 1 .

  8. On the steady-state solutions of a nonlinear photonic lattice model

    SciTech Connect

    Liu, Chungen E-mail: tjftp@mail.nankai.edu.cn; Ren, Qiang E-mail: tjftp@mail.nankai.edu.cn

    2015-03-15

    In this paper, we consider the steady-state solutions of the following equation related with nonlinear photonic lattice model Δu=(Pu)/(1+|u|{sup 2}+|v|{sup 2}) +λu, Δv=(Qv)/(1+|u|{sup 2}+|v|{sup 2}) +λv, where u, v are real-value function defined on R/(τ{sub 1}Z) × R/(τ{sub 2}Z). The existence and non-existence of non-constant semi-trivial (with only one component zero) solutions are considered.

  9. Rupture of a ferrofluid droplet in external magnetic fields using a single-component lattice Boltzmann model for nonideal fluids.

    PubMed

    Falcucci, G; Chiatti, G; Succi, S; Mohamad, A A; Kuzmin, A

    2009-05-01

    A nonisotropic tensorial extension of the single-component Shan-Chen pseudopotential Lattice Boltzmann method for nonideal fluids is presented. Direct comparison with experimental data shows that this extension is able to capture relevant features of ferrofluid behavior, such as the deformation and subsequent rupture of a liquid droplet as a function of an externally applied magnetic field. The present model offers an economic lattice-kinetic pathway to the simulation of complex ferrofluid hydrodynamics.

  10. Study of the critical behavior of the driven lattice gas model with limited nonequilibrium dynamics

    NASA Astrophysics Data System (ADS)

    Saracco, Gustavo P.; Rubio Puzzo, M. Leticia; Bab, Marisa A.

    2017-02-01

    In this paper the nonequilibrium critical behavior is investigated using a variant of the well-known two-dimensional driven lattice gas (DLG) model, called modified driven lattice gas (MDLG). In this model, the application of the external field is regulated by a parameter p ɛ [ 0 , 1 ] in such a way that if p = 0, the field is not applied, and it becomes the Ising model, while if p = 1, the DLG model is recovered. The behavior of the model is investigated for several values of p by studying the dynamic evolution of the system within the short-time regime in the neighborhood of a phase transition. It is found that the system experiences second-order phase transitions in all the interval of p for the density of particles ρ = 0.5. The determined critical temperatures Tc(p) are greater than the critical temperature of the Ising model TcI, and increase with p up to the critical temperature of the DLG model in the limit of infinite driving fields. The dependence of Tc(p) on p is compatible with a power-law behavior whose exponent is ψ = 0.27(3) . Furthermore, the complete set of the critical and the anisotropic exponents is estimated. For the smallest value of p, the ​dynamics and β exponents are close to that calculated for the Ising model, and the anisotropic exponent Δ is near zero. As p is increased, the exponents and Δ change, meaning that the anisotropy effects increase. For the largest value investigated, the set of exponents approaches to that reported by the most recent theoretical framework developed for the DLG model.

  11. Devil's staircase in a quantum dimer model on the hexagonal lattice

    NASA Astrophysics Data System (ADS)

    Barthel, Thomas; Misguich, Grégoire; Schlittler, Thiago M.; Vidal, Julien; Mosseri, Rémy

    Quantum dimer models appear in different contexts when describing dynamics in constrained low-energy manifolds, such as for frustrated Ising models in weak transverse fields. In this talk, I address a particularly interesting case, where a quantum dimer model on the hexagonal lattice, in addition to the standard Rokhsar-Kivelson Hamiltonian, includes a competing potential term, counting dimer-free hexagons. It has a rich zero-temperature phase diagram that comprises a cascade of rapidly changing flux quantum numbers (tilt in the height language). This cascade is partially of fractal nature and the model provides, in particular, a microscopic realization of the ``devil's staircase'' scenario [E. Fradkin et al. Phys. Rev. B 69, 224415 (2004)]. We have studied the system by means of quantum Monte-Carlo simulations and the results can be explained using perturbation theory, RG, and variational arguments.References: arXiv:1507.04643, arXiv:1501.02242.

  12. Aoki phases in the lattice Gross-Neveu model with flavored mass terms

    SciTech Connect

    Creutz, Michael; Kimura, Taro; Misumi, Tatsuhiro

    2011-05-01

    We investigate the parity-broken phase structure for staggered and naive fermions in the Gross-Neveu model as a toy model of QCD. We consider a generalized staggered Gross-Neveu model including two types of four-point interactions. We use generalized mass terms to split the doublers for both staggered and naive fermions. The phase boundaries derived from the gap equations show that the mass splitting of tastes results in an Aoki phase both in the staggered and naive cases. We also discuss the continuum limit of these models and explore taking the chirally symmetric limit by fine-tuning a mass parameter and two-coupling constants. This supports the idea that in lattice QCD we can derive one- or two-flavor staggered fermions by tuning the mass parameter, which are likely to be less expensive than Wilson fermions in QCD simulation.

  13. Slip-flow boundary condition for straight walls in the lattice Boltzmann model.

    PubMed

    Szalmás, Lajos

    2006-06-01

    A slip-flow boundary condition has been developed in the lattice Boltzmann model combining an interpolation method and a simple slip boundary condition for straight walls placed at arbitrary distance from the last fluid node. An analytical expression has been derived to connect the model parameters with the slip velocity for Couette and Poiseuille flows in the nearly continuum limit. The proposed interpolation method ensures that the slip velocity is independent of the wall position in first order of the Knudsen number. Computer simulations have been carried out to validate the model. The Couette and Poiseuille flows agree with the analytical results to machine order. Numerical simulation of a moving square demonstrates the accuracy of the model for walls moving in both the tangential and normal directions.

  14. Quantum Simulation of a Lattice Schwinger Model in a Chain of Trapped Ions

    NASA Astrophysics Data System (ADS)

    Hauke, P.; Marcos, D.; Dalmonte, M.; Zoller, P.

    2013-10-01

    We discuss how a lattice Schwinger model can be realized in a linear ion trap, allowing a detailed study of the physics of Abelian lattice gauge theories related to one-dimensional quantum electrodynamics. Relying on the rich quantum-simulation toolbox available in state-of-the-art trapped-ion experiments, we show how one can engineer an effectively gauge-invariant dynamics by imposing energetic constraints, provided by strong Ising-like interactions. Applying exact diagonalization to ground-state and time-dependent properties, we study the underlying microscopic model and discuss undesired interaction terms and other imperfections. As our analysis shows, the proposed scheme allows for the observation in realistic setups of spontaneous parity- and charge-symmetry breaking, as well as false-vacuum decay. Besides an implementation aimed at larger ion chains, we also discuss a minimal setting, consisting of only four ions in a simpler experimental setup, which enables us to probe basic physical phenomena related to the full many-body problem. The proposal opens a new route for analog quantum simulation of high-energy and condensed-matter models where gauge symmetries play a prominent role.

  15. Tricriticality of the Blume-Emery-Griffiths model in thin films of stacked triangular lattices

    NASA Astrophysics Data System (ADS)

    El Hog, Sahbi; Diep, H. T.

    2016-03-01

    We study in this paper the Blume-Emery-Griffiths model in a thin film of stacked triangular lattices. The model is described by three parameters: bilinear exchange interaction between spins J, quadratic exchange interaction K and single-ion anisotropy D. The spin Si at the lattice site i takes three values (-1, 0, +1). This model can describe the mixing phase of He-4 (Si = +1,-1) and He-3 (Si = 0) at low temperatures. Using Monte Carlo simulations, we show that there exists a critical value of D below (above) which the transition is of second-(first-)order. In general, the temperature dependence of the concentrations of He-3 is different from layer by layer. At a finite temperature in the superfluid phase, the film surface shows a deficit of He-4 with respect to interior layers. However, effects of surface interaction parameters can reverse this situation. Effects of the film thickness on physical properties will be also shown as functions of temperature.

  16. Lattice Boltzmann modeling of permeability in porous materials with partially percolating voxels

    NASA Astrophysics Data System (ADS)

    Li, Ruru; Yang, Y. Sam; Pan, Jinxiao; Pereira, Gerald G.; Taylor, John A.; Clennell, Ben; Zou, Caineng

    2014-09-01

    A partial-bounce-back lattice Boltzmann model has been used to simulate flow on a lattice consisting of cubic voxels with a locally varying effective percolating fraction. The effective percolating fraction of a voxel is the total response to the partial-bounce-back techniques for porous media flow due to subvoxel fine structures. The model has been verified against known analytic solutions on two- and three-dimensional regular geometries, and has been applied to simulate flow and permeabilities of two real-world rock samples. This enables quantitative determination of permeability for problems where voxels cannot be adequately segmented as discrete compositions. The voxel compositions are represented as volume fractions of various material phases and void. The numerical results have shown that, for the tight-sandstone sample, the bulk permeability is sensitive to the effective percolating fraction of calcite. That is, the subvoxel flow paths in the calcite phase are important for bulk permeability. On the other hand, flow in the calcite phase in the sandstone sample makes an insignificant contribution to the bulk permeability. The calculated permeability value for the sandstone sample is up to two orders of magnitude greater than the tight sandstone. This model is generic and could be applied to other oil and gas reservoir media or to material samples.

  17. Lattice Boltzmann modeling of permeability in porous materials with partially percolating voxels.

    PubMed

    Li, Ruru; Yang, Y Sam; Pan, Jinxiao; Pereira, Gerald G; Taylor, John A; Clennell, Ben; Zou, Caineng

    2014-09-01

    A partial-bounce-back lattice Boltzmann model has been used to simulate flow on a lattice consisting of cubic voxels with a locally varying effective percolating fraction. The effective percolating fraction of a voxel is the total response to the partial-bounce-back techniques for porous media flow due to subvoxel fine structures. The model has been verified against known analytic solutions on two- and three-dimensional regular geometries, and has been applied to simulate flow and permeabilities of two real-world rock samples. This enables quantitative determination of permeability for problems where voxels cannot be adequately segmented as discrete compositions. The voxel compositions are represented as volume fractions of various material phases and void. The numerical results have shown that, for the tight-sandstone sample, the bulk permeability is sensitive to the effective percolating fraction of calcite. That is, the subvoxel flow paths in the calcite phase are important for bulk permeability. On the other hand, flow in the calcite phase in the sandstone sample makes an insignificant contribution to the bulk permeability. The calculated permeability value for the sandstone sample is up to two orders of magnitude greater than the tight sandstone. This model is generic and could be applied to other oil and gas reservoir media or to material samples.

  18. Gauge-invariant implementation of the Abelian-Higgs model on optical lattices

    NASA Astrophysics Data System (ADS)

    Bazavov, A.; Meurice, Y.; Tsai, S.-W.; Unmuth-Yockey, J.; Zhang, Jin

    2015-10-01

    We present a gauge-invariant effective action for the Abelian-Higgs model (scalar electrodynamics) with a chemical potential μ on a (1 +1 )-dimensional lattice. This formulation provides an expansion in the hopping parameter κ which we test with Monte Carlo simulations for a broad range of the inverse gauge coupling βp l=1 /g2 and small values of the scalar self-coupling λ . In the opposite limit of infinitely large λ , the partition function can be written as a traced product of local tensors which allows us to write exact blocking formulas. Gauss's law is automatically satisfied and the introduction of μ has consequences only if we have an external electric field, g2=0 or an explicit gauge symmetry breaking. The time-continuum limit of the blocked transfer matrix can be obtained numerically and, for g2=0 and a spin-1 truncation, the small volume energy spectrum is identical to the low energy spectrum of a two-species Bose-Hubbard model in the limit of large on-site repulsion. We extend this procedure for finite βp l and derive a spin-1 approximation of the Hamiltonian. It involves new terms corresponding to transitions among the two species in the Bose-Hubbard model. We propose an optical lattice implementation involving a ladder structure.

  19. Stationary Measures for Two Dual Families of Finite and Zero Temperature Models of Directed Polymers on the Square Lattice

    NASA Astrophysics Data System (ADS)

    Thiery, Thimothée

    2016-10-01

    We study the recently introduced Inverse-Beta (IB) polymer, an exactly solvable, anisotropic finite temperature model of directed polymer on the square lattice, and obtain its stationary measure. In parallel we introduce an anisotropic zero temperature model of directed polymer on the square lattice, the Bernoulli-Geometric polymer, and obtain its stationary measure. This new exactly solvable model is dual to the IB polymer and interpolates between models of first and last passage percolation on the square lattice. Both stationary measures are shown to satisfy detailed balance. We also obtain the asymptotic mean value of (i) the free-energy of the IB polymer; (ii) the optimal energy of the Bernoulli-Geometric polymer. We discuss the convergence of both models to their stationary state. We perform simulations of the Bernoulli-Geometric polymer that confirm our results.

  20. Development and validation of a 3D Lattice Boltzmann model for volcano aeroacoustics

    NASA Astrophysics Data System (ADS)

    Brogi, Federico; Bonadonna, Costanza; Ripepe, Maurizio; Chopard, Bastien; Malaspinas, Orestis; Latt, Jonas; Falcone, Jean-Luc

    2015-04-01

    Infrasound measurements have a great potential for the real time characterization of volcanic plume source parameters [Ripepe et al., 2013]. Nonetheless many shortcomings have been highlighted in the understanding of the infrasound monitoring. In particular, the application of the classical acoustic source models to volcanic explosive eruptions has shown to be challenging and a better knowledge of the link between the acoustic radiation and actual volcanic fluid dynamics processes is required. New insights into this subject could be given by the study of realistic aeroacoustic numerical simulations of a volcanic jet. Our work mainly focuses on developing and validating such numerical model to determine when and if classical model source theory can be applied to explain volcanic infrasound data. Lattice Boltzmann strategies (LB) provide the opportunity to develop an accurate, computationally fast, 3D physical model for a volcanic jet and wave propagation. In the field of aeroacoustic applications, dedicated LB schemes has been proven to have the low dispersion and dissipative properties needed for capturing the weak acoustic pressure fluctuations. However, when dealing with simulations of realistic flows, artificial boundaries are defined around the flow region. The reflected waves from these boundaries can have significant influence on the flow field and overwhelm the acoustic field of interest. A special absorbing boundary layer has been implemented in our model to suppress the reflected waves [Xu et al., 2013]. In addition, for highly multi-scale turbulent flows, such as volcanic plumes, the number of grid points needed to represent the smallest scales might become intractable and the most complicated physics happen only in small portions of the computational domain. The implementation of the grid refinement, in our model allow us to insert local finer grids only where is actually needed [Lagrava et al., 2012] and to increase the size of the computational domain

  1. Layered Kondo lattice model for quantum critical beta-YbAlB4.

    PubMed

    Nevidomskyy, Andriy H; Coleman, P

    2009-02-20

    We analyze the magnetic and electronic properties of the quantum critical heavy fermion superconductor beta-YbAlB4, calculating the Fermi surface and the angular dependence of the extremal orbits relevant to the de Haas-van Alphen measurements. Using a combination of the realistic materials modeling and single-ion crystal field analysis, we are led to propose a layered Kondo lattice model for this system, in which two-dimensional boron layers are Kondo coupled via interlayer Yb moments in a Jz=+/-5/2 state. This model fits the measured single-ion magnetic susceptibility and predicts a substantial change in the electronic anisotropy as the system is pressure tuned through the quantum critical point.

  2. Bak-Tang-Wiesenfeld model on the square site-percolation lattice

    NASA Astrophysics Data System (ADS)

    Najafi, M. N.

    2016-08-01

    The Bak-Tang-Wiesenfeld (BTW) model is considered on the site-diluted square lattice, tuned by the occupancy probability p. Various statistical observables of the avalanches are analyzed in terms of p, e.g. the fractal dimension of their exterior frontiers, gyration radius, loop lengths and Green’s function. The model exhibits critical behavior for all amounts of p, and the exponents of the statistical observables are analyzed. We find a distinct universality class at p={p}c, which is unstable towards a p = 1 (BTW) fixed point. This universality class displays some common features such as a two-dimensional (2D) Ising universality class, e.g. the fractal dimension of loops in the thermodynamic limit is {D}Fp={pc}=1.38\\mp 0.01 which is compatible with the fractal dimension of geometrical spin clusters of the 2D critical Ising model (with {D}F{{Ising}}=\\tfrac{11}{8}).

  3. Fluctuations and correlations in lattice models for predator-prey interaction.

    PubMed

    Mobilia, Mauro; Georgiev, Ivan T; Täuber, Uwe C

    2006-04-01

    Including spatial structure and stochastic noise invalidates the classical Lotka-Volterra picture of stable regular population cycles emerging in models for predator-prey interactions. Growth-limiting terms for the prey induce a continuous extinction threshold for the predator population whose critical properties are in the directed percolation universality class. We discuss the robustness of this scenario by considering an ecologically inspired stochastic lattice predator-prey model variant where the predation process includes next-nearest-neighbor interactions. We find that the corresponding stochastic model reproduces the above scenario in dimensions 1< d < or =4, in contrast with the mean-field theory, which predicts a first-order phase transition. However, the mean-field features are recovered upon allowing for nearest-neighbor particle exchange processes, provided these are sufficiently fast.

  4. Plaquette order in the SU(6) Heisenberg model on the honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Nataf, Pierre; Lajkó, Miklós; Corboz, Philippe; Läuchli, Andreas M.; Penc, Karlo; Mila, Frédéric

    2016-05-01

    We revisit the SU(6) Heisenberg model on the honeycomb lattice, which has been predicted to be a chiral spin liquid by mean-field theory [G. Szirmai et al., Phys. Rev. A 84, 011611(R) (2011), 10.1103/PhysRevA.84.011611]. Using exact diagonalizations of finite clusters, infinite projected entangled pair state simulations, and variational Monte Carlo simulations based on Gutzwiller projected wave functions, we provide strong evidence that the model with one particle per site and nearest-neighbor exchange actually develops plaquette order. This is further confirmed by the investigation of the model with a ring-exchange term, which shows that there is a transition between the plaquette state and the chiral state at a finite value of the ring-exchange term.

  5. Effect of disorder on condensation in the lattice gas model on a random graph

    NASA Astrophysics Data System (ADS)

    Handford, Thomas P.; Dear, Alexander; Pérez-Reche, Francisco J.; Taraskin, Sergei N.

    2014-07-01

    The lattice gas model of condensation in a heterogeneous pore system, represented by a random graph of cells, is studied using an exact analytical solution. A binary mixture of pore cells with different coordination numbers is shown to exhibit two phase transitions as a function of chemical potential in a certain temperature range. Heterogeneity in interaction strengths is demonstrated to reduce the critical temperature and, for large-enough degreeS of disorder, divides the cells into ones which are either on average occupied or unoccupied. Despite treating the pore space loops in a simplified manner, the random-graph model provides a good description of condensation in porous structures containing loops. This is illustrated by considering capillary condensation in a structural model of mesoporous silica SBA-15.

  6. A water-explicit lattice model of heat-, cold-, and pressure-induced protein unfolding.

    PubMed

    Patel, Bryan A; Debenedetti, Pablo G; Stillinger, Frank H; Rossky, Peter J

    2007-12-15

    We investigate the effect of temperature and pressure on polypeptide conformational stability using a two-dimensional square lattice model in which water is represented explicitly. The model captures many aspects of water thermodynamics, including the existence of density anomalies, and we consider here the simplest representation of a protein: a hydrophobic homopolymer. We show that an explicit treatment of hydrophobic hydration is sufficient to produce cold, pressure, and thermal denaturation. We investigate the effects of the enthalpic and entropic components of the water-protein interactions on the overall folding phase diagram, and show that even a schematic model such as the one we consider yields reasonable values for the temperature and pressure ranges within which highly compact homopolymer configurations are thermodynamically stable.

  7. Molecular and Subcellular-Scale Modeling of Nucleotide Diffusion in the Cardiac Myofilament Lattice

    PubMed Central

    Kekenes-Huskey, Peter M.; Liao, Tao; Gillette, Andrew K.; Hake, Johan E.; Zhang, Yongjie; Michailova, Anushka P.; McCulloch, Andrew D.; McCammon, J. Andrew

    2013-01-01

    Contractile function of cardiac cells is driven by the sliding displacement of myofilaments powered by the cycling myosin crossbridges. Critical to this process is the availability of ATP, which myosin hydrolyzes during the cross-bridge cycle. The diffusion of adenine nucleotides through the myofilament lattice has been shown to be anisotropic, with slower radial diffusion perpendicular to the filament axis relative to parallel, and is attributed to the periodic hexagonal arrangement of the thin (actin) and thick (myosin) filaments. We investigated whether atomistic-resolution details of myofilament proteins can refine coarse-grain estimates of diffusional anisotropy for adenine nucleotides in the cardiac myofibril, using homogenization theory and atomistic thin filament models from the Protein Data Bank. Our results demonstrate considerable anisotropy in ATP and ADP diffusion constants that is consistent with experimental measurements and dependent on lattice spacing and myofilament overlap. A reaction-diffusion model of the half-sarcomere further suggests that diffusional anisotropy may lead to modest adenine nucleotide gradients in the myoplasm under physiological conditions. PMID:24209858

  8. Magnetic order and Kondo effect in the Anderson-lattice model

    NASA Astrophysics Data System (ADS)

    Bernhard, B. H.; Aguiar, C.; Kogoutiouk, I.; Coqblin, B.

    The Anderson-lattice model has been extensively developed to account for the properties of many anomalous rare-earth compounds and in particular for the competition between the Kondo effect and an antiferromagnetic (AF) phase in a cubic lattice. Here we apply the higher-order decoupling of the equations of motion for the Green Functions (GF) introduced in [H.G. Luo, S.J. Wang, Phys. Rev. B 62 (2000) 1485]. We obtain an improved description of the phase diagram, where the AF phase subsists in a smaller range of the model parameters. As higher-order GF are included in the chain of equations, we are able to calculate directly the local spin-flip correlation function . As a further improvement to the previous approximation of [B.H. Bernhard, C. Aguiar, B. Coqblin, Physica B 378-380 (2006) 712], we obtain a reduced range of existence for the AF phase for the symmetric half-filled case and then we discuss the competition between the AF order and the Kondo effect as a function of the band filling.

  9. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    SciTech Connect

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the latter scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.

  10. Bohman-Frieze-Wormald model on the lattice, yielding a discontinuous percolation transition

    NASA Astrophysics Data System (ADS)

    Schrenk, K. J.; Felder, A.; Deflorin, S.; Araújo, N. A. M.; D'Souza, R. M.; Herrmann, H. J.

    2012-03-01

    The BFW model introduced by Bohman, Frieze, and Wormald [Random Struct. Algorithms1042-983210.1002/rsa.20038, 25, 432 (2004)], and recently investigated in the framework of discontinuous percolation by Chen and D'Souza [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.106.115701 106, 115701 (2011)], is studied on the square and simple-cubic lattices. In two and three dimensions, we find numerical evidence for a strongly discontinuous transition. In two dimensions, the clusters at the threshold are compact with a fractal surface of fractal dimension df=1.49±0.02. On the simple-cubic lattice, distinct jumps in the size of the largest cluster are observed. We proceed to analyze the tree-like version of the model, where only merging bonds are sampled, for dimension two to seven. The transition is again discontinuous in any considered dimension. Finally, the dependence of the cluster-size distribution at the threshold on the spatial dimension is also investigated.

  11. Three-dimensional patchy lattice model: Ring formation and phase separation

    SciTech Connect

    Tavares, J. M.; Almarza, N. G.; Telo da Gama, M. M.

    2014-01-28

    We investigate the structural and thermodynamic properties of a model of particles with 2 patches of type A and 10 patches of type B. Particles are placed on the sites of a face centered cubic lattice with the patches oriented along the nearest neighbor directions. The competition between the self-assembly of chains, rings, and networks on the phase diagram is investigated by carrying out a systematic investigation of this class of models, using an extension of Wertheim's theory for associating fluids and Monte Carlo numerical simulations. We varied the ratio r ≡ ε{sub AB}/ε{sub AA} of the interaction between patches A and B, ε{sub AB}, and between A patches, ε{sub AA} (ε{sub BB} is set to 0) as well as the relative position of the A patches, i.e., the angle θ between the (lattice) directions of the A patches. We found that both r and θ (60°, 90°, or 120°) have a profound effect on the phase diagram. In the empty fluid regime (r < 1/2) the phase diagram is reentrant with a closed miscibility loop. The region around the lower critical point exhibits unusual structural and thermodynamic behavior determined by the presence of relatively short rings. The agreement between the results of theory and simulation is excellent for θ = 120° but deteriorates as θ decreases, revealing the need for new theoretical approaches to describe the structure and thermodynamics of systems dominated by small rings.

  12. Mean field study of a propagation-turnover lattice model for the dynamics of histone marking

    NASA Astrophysics Data System (ADS)

    Yao, Fan; Li, FangTing; Li, TieJun

    2017-02-01

    We present a mean field study of a propagation-turnover lattice model, which was proposed by Hodges and Crabtree [Proc. Nat. Acad. Sci. 109, 13296 (2012)] for understanding how posttranslational histone marks modulate gene expression in mammalian cells. The kinetics of the lattice model consists of nucleation, propagation and turnover mechanisms, and exhibits second-order phase transition for the histone marking domain. We showed rigorously that the dynamics essentially depends on a non-dimensional parameter κ = k +/ k -, the ratio between the propagation and turnover rates, which has been observed in the simulations. We then studied the lowest order mean field approximation, and observed the phase transition with an analytically obtained critical parameter. The boundary layer analysis was utilized to investigate the structure of the decay profile of the mark density. We also studied the higher order mean field approximation to achieve sharper estimate of the critical transition parameter and more detailed features. The comparison between the simulation and theoretical results shows the validity of our theory.

  13. Fast Off-Lattice Monte Carlo Simulations with a Novel Soft-Core Spherocylinder Model

    NASA Astrophysics Data System (ADS)

    Zong, Jing; Zhang, Xinghua; Wang, Qiang (David)

    2011-03-01

    Fast off-lattice Monte Carlo simulations with soft-core repulsive potentials that allow particle overlapping give orders of magnitude faster/better sampling of the configurational space than conventional molecular simulations with hard-core repulsions (such as in the Lennard-Jones potential). Here we present our fast off-lattice Monte Carlo simulations on the structures and phase transitions of liquid crystals and rod-coil diblock copolymers based on a novel and computationally efficient anisotropic soft-core potential that gives exact treatment of the excluded-volume interactions between two spherocylinders (thus the orientational interaction between them favoring their parallel alignment). Our model further takes into account the degree of overlap of two spherocylinders, thus superior to other soft-core models that depend only on their shortest distance. It has great potential applications in the study of liquid crystals, block copolymers containing rod blocks, and liquid crystalline polymers. Q. Wang and Y. Yin, J. Chem. Phys., 130, 104903 (2009).

  14. Entanglement properties of the antiferromagnetic-singlet transition in the Hubbard model on bilayer square lattices

    DOE PAGES

    Chang, Chia-Chen; Singh, Rajiv R. P.; Scalettar, Richard T.

    2014-10-10

    Here, we calculate the bipartite R enyi entanglement entropy of an L x L x 2 bilayer Hubbard model using a determinantal quantum Monte Carlo method recently proposed by Grover [Phys. Rev. Lett. 111, 130402 (2013)]. Two types of bipartition are studied: (i) One that divides the lattice into two L x L planes, and (ii) One that divides the lattice into two equal-size (L x L=2 x 2) bilayers. Furthermore, we compare our calculations with those for the tight-binding model studied by the correlation matrix method. As expected, the entropy for bipartition (i) scales as L2, while the lattermore » scales with L with possible logarithmic corrections. The onset of the antiferromagnet to singlet transition shows up by a saturation of the former to a maximal value and the latter to a small value in the singlet phase. We also comment on the large uncertainties in the numerical results with increasing U, which would have to be overcome before the critical behavior and logarithmic corrections can be quanti ed.« less

  15. Coherent lattice dynamics in opaque crystals: Testing the adequacy of two-tensor model

    NASA Astrophysics Data System (ADS)

    Misochko, O. V.; Lebedev, M. V.

    2016-11-01

    We report the ultrafast pump-probe study of B i2T e3 , Sb, Bi, and Te aimed to check the two-tensor model predictions for the creation of lattice coherence. The dependence of coherent ultrafast response on phonon frequency was measured for topological insulator B i2T e3 , the spectrum of which possesses two fully symmetric phonons. The effect of the pump pulse duration and power on the magnitude of coherent amplitude was evaluated in the model opaque crystals, such as two semimetals, bismuth and antimony, and semiconducting tellurium. In our analysis of the pump-probe data, we separated the transient total reflectivity into the sum of two contributions: one due to the photogenerated carriers and the second due to the coherent phonons. All fully symmetric phonons exhibit a cosinelike dependence and grow linearly with increasing average pump power provided the pulse duration remains unchanged. Varying the pump pulse duration, we observed a monotonic decrease of coherent amplitude for longer pulses, whereas the electronic contribution was almost unchanged. This lack of the correlation between the carriers and the coherent amplitude was further supported by coherent control experiments on Te. Based on the comparison of theoretical predictions with experimental observations, we conjecture that the lattice coherence creation in opaque crystals can be linked to a Raman-like process.

  16. Two-dimensional-lattice spin models with long-range antiferromagnetic interactions

    NASA Astrophysics Data System (ADS)

    Romano, S.

    1991-10-01

    We consider a classical system, consisting of m-component unit vectors (m=2,3), associated with a two-dimensional lattice \\{uk||k∈openZ2\\} and interacting via translationally and rotationally invariant antiferromagnetic pair potentials of the long-range form W=Wjk=ɛ||xj-xk||-puj.uk, p>2, where ɛ is a positive quantity, setting energy and temperature scales (i.e., T*=kBT/ɛ), and xk are the coordinates of the lattice sites. A spin-wave approach predicts orientational disorder (in the thermodynamic limit) at all finite temperatures and for all p>2 this agrees with available rigorous results for p>=4, whereas no such theorems are known in the literature when 2model defined by m=2, p=3; calculations were carried out between T*=0.1 and T*=1, and sample-size effects were investigated at the lowest temperature examined. Energy and specific-heat results showed a rather smooth behavior, and no sample-size effect; on the other hand, we found a significant amount of finite-size order, and its pronounced decrease with increasing sample size. In the absence of more stringent rigorous results, we conjecture that the present potential models are disordered at all finite temperatures, for all p>2.

  17. Modeling Selective Local Interactions with Memory: Motion on a 2D Lattice.

    PubMed

    Weinberg, Daniel; Levy, Doron

    2014-06-15

    We consider a system of particles that simultaneously move on a two-dimensional periodic lattice at discrete times steps. Particles remember their last direction of movement and may either choose to continue moving in this direction, remain stationary, or move toward one of their neighbors. The form of motion is chosen based on predetermined stationary probabilities. Simulations of this model reveal a connection between these probabilities and the emerging patterns and size of aggregates. In addition, we develop a reaction diffusion master equation from which we derive a system of ODEs describing the dynamics of the particles on the lattice. Simulations demonstrate that solutions of the ODEs may replicate the aggregation patterns produced by the stochastic particle model. We investigate conditions on the parameters that influence the locations at which particles prefer to aggregate. This work is a two-dimensional generalization of [Galante & Levy, Physica D, http://dx.doi.org/10.1016/j.physd.2012.10.010], in which the corresponding one-dimensional problem was studied.

  18. Dual geometric worm algorithm for two-dimensional discrete classical lattice models

    NASA Astrophysics Data System (ADS)

    Hitchcock, Peter; Sørensen, Erik S.; Alet, Fabien

    2004-07-01

    We present a dual geometrical worm algorithm for two-dimensional Ising models. The existence of such dual algorithms was first pointed out by Prokof’ev and Svistunov [

    N. Prokof’ev and B. Svistunov, Phys. Rev. Lett. 87, 160601 (2001)
    ]. The algorithm is defined on the dual lattice and is formulated in terms of bond variables and can therefore be generalized to other two-dimensional models that can be formulated in terms of bond variables. We also discuss two related algorithms formulated on the direct lattice, applicable in any dimension. These latter algorithms turn out to be less efficient but of considerable intrinsic interest. We show how such algorithms quite generally can be “directed” by minimizing the probability for the worms to erase themselves. Explicit proofs of detailed balance are given for all the algorithms. In terms of computational efficiency the dual geometrical worm algorithm is comparable to well known cluster algorithms such as the Swendsen-Wang and Wolff algorithms, however, it is quite different in structure and allows for a very simple and efficient implementation. The dual algorithm also allows for a very elegant way of calculating the domain wall free energy.

  19. Unconventional superconducting phases for the two-dimensional extended Hubbard model on a square lattice

    NASA Astrophysics Data System (ADS)

    Huang, Wen-Min; Lai, Chen-Yen; Shi, Chuntai; Tsai, Shan-Wen

    2013-08-01

    We study the phase diagram of the extended Hubbard model on a two-dimensional square lattice, including on-site (U) and nearest-neighbor (V) interactions, at weak couplings. We show that the charge-density wave phase that is known to occur at half filling when 4V>U gives way to a dxy-wave superconducting instability away from half filling, when the Fermi surface is not perfectly nested, and for sufficiently large repulsive V and a range of on-site repulsive interaction U. In addition, when nesting is further suppressed and in the presence of a nearest-neighbor attraction, a triplet time-reversal breaking (px+ipy)-wave pairing instability emerges, competing with the dx2-y2 pairing state that is known to dominate at fillings just slightly away from half. At even smaller fillings, where the Fermi surface no longer presents any nesting, the (px+ipy)-wave superconducting phase dominates in the whole regime of on-site repulsions and nearest-neighbor attractions, while dxy pairing occurs in the presence of on-site attraction. Our results suggest that zero-energy Majorana fermions can be realized on a square lattice in the presence of a magnetic field. For a system of cold fermionic atoms on a two-dimensional square optical lattice, both an on-site repulsion and a nearest-neighbor attraction would be required, in addition to rotation of the system to create vortices. We discuss possible ways of experimentally engineering the required interaction terms in a cold atom system.

  20. Resource utilization model for the algorithm to architecture mapping model

    NASA Technical Reports Server (NTRS)

    Stoughton, John W.; Patel, Rakesh R.

    1993-01-01

    The analytical model for resource utilization and the variable node time and conditional node model for the enhanced ATAMM model for a real-time data flow architecture are presented in this research. The Algorithm To Architecture Mapping Model, ATAMM, is a Petri net based graph theoretic model developed at Old Dominion University, and is capable of modeling the execution of large-grained algorithms on a real-time data flow architecture. Using the resource utilization model, the resource envelope may be obtained directly from a given graph and, consequently, the maximum number of required resources may be evaluated. The node timing diagram for one iteration period may be obtained using the analytical resource envelope. The variable node time model, which describes the change in resource requirement for the execution of an algorithm under node time variation, is useful to expand the applicability of the ATAMM model to heterogeneous architectures. The model also describes a method of detecting the presence of resource limited mode and its subsequent prevention. Graphs with conditional nodes are shown to be reduced to equivalent graphs with time varying nodes and, subsequently, may be analyzed using the variable node time model to determine resource requirements. Case studies are performed on three graphs for the illustration of applicability of the analytical theories.

  1. Efficient systematic scheme to construct second-principles lattice dynamical models

    NASA Astrophysics Data System (ADS)

    Escorihuela-Sayalero, Carlos; Wojdeł, Jacek C.; Íñiguez, Jorge

    2017-03-01

    We start from the polynomial interatomic potentials introduced by Wojdeł et al. [J. Phys.: Condens. Matter 25, 305401 (2013), 10.1088/0953-8984/25/30/305401] and take advantage of one of their key features—namely, the linear dependence of the energy on the potential's adjustable parameters—to devise a scheme for the construction of first-principles-based (second-principles) models for large-scale lattice-dynamical simulations. Our method presents the following convenient features. The parameters of the model are computed in a very fast and efficient way, as it is possible to recast the fit to a training set of first-principles data into a simple matrix diagonalization problem. Our method selects automatically the interactions that are most relevant to reproduce the training-set data, by choosing from a pool that includes virtually all possible coupling terms, and produces a family of models of increasing complexity and accuracy. We work with practical and convenient cross-validation criteria linked to the physical properties that will be relevant in future simulations based on the new model, and which greatly facilitate the task of identifying a potential that is simultaneously simple (thus computationally light), very accurate, and predictive. We also discuss practical ways to guarantee that our energy models are bounded from below, with a minimal impact on their accuracy. Finally, we demonstrate our scheme with an application to ferroelastic perovskite SrTiO3, which features many nontrivial lattice-dynamical features (e.g., a phase transition driven by soft phonons, competing structural instabilities, highly anharmonic dynamics) and provides a very demanding test.

  2. $B^0_{(s)}$-mixing matrix elements from lattice QCD for the Standard Model and beyond

    SciTech Connect

    Bazavov, A.; Bernard, C.; Bouchard, C. M.; Chang, C. C.; DeTar, C.; Du, Daping; El-Khadra, A. X.; Freeland, E. D.; Gamiz, E.; Gottlieb, Steven; Heller, U. M.; Kronfeld, A. S.; Laiho, J.; Mackenzie, P. B.; Neil, E. T.; Simone, J.; Sugar, R.; Toussaint, D.; Van de Water, R. S.; Zhou, Ran

    2016-06-28

    We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B0- and Bs-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where the second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |Vtd| = 8.00(34)(8)×10-3, |Vts| = 39.0(1.2)(0.4)×10-3, and |Vtd/Vts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.

  3. $$B^0_{(s)}$$-mixing matrix elements from lattice QCD for the Standard Model and beyond

    DOE PAGES

    Bazavov, A.; Bernard, C.; Bouchard, C. M.; ...

    2016-06-28

    We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B0- and Bs-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B-meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ=1.206(18)(6), where the second errormore » stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B-meson oscillation frequencies to determine the CKM matrix elements |Vtd| = 8.00(34)(8)×10-3, |Vts| = 39.0(1.2)(0.4)×10-3, and |Vtd/Vts| = 0.2052(31)(10), which differ from CKM-unitarity expectations by about 2σ. In addition, these results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.« less

  4. A Model to Aid Topo-Map Interpretation

    ERIC Educational Resources Information Center

    Westerback, Mary

    1976-01-01

    Describes how to construct models of contour lines from flexible, colored bell wire. These models are used to illustrate three-dimensional terrain characteristics represented by contour lines printed on a flat map. (MLH)

  5. Replica-exchange Wang-Landau simulations of the H0P lattice protein model

    NASA Astrophysics Data System (ADS)

    Shi, Guangjie; Wüst, Thomas; Li, Ying Wai; Landau, David P.

    The hydrophobic-polar (HP) lattice protein model has been the subject of intensive investigation in an effort to aid our understanding of protein folding. However, the high ground state degeneracies caused by its simplification stands in contrast to the generally unique native states of natural proteins. Here we proposed a simple modification, by introducing a new type of ``neutral'' monomer, 0, i.e. neither hydrophobic nor polar, thus rendering the model more realistic without increasing the difficulties of sampling significantly. With the replica exchange Wang-Landau (REWL) scheme we investigated several widely studied HP proteins and their H0P counterparts. Dramatic differences in both ground state and thermodynamic properties have been found. For example, the H0P version of Crambin shows more clear two-step folding and 3 order of magnitudes less ground state degeneracy than its HP counterpart. Supported by NSF.

  6. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    SciTech Connect

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; Scalettar, Richardq T.

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase. These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.

  7. Phase Diagram of an Extended Quantum Dimer Model on the Hexagonal Lattice

    NASA Astrophysics Data System (ADS)

    Schlittler, Thiago; Barthel, Thomas; Misguich, Grégoire; Vidal, Julien; Mosseri, Rémy

    2015-11-01

    We introduce a quantum dimer model on the hexagonal lattice that, in addition to the standard three-dimer kinetic and potential terms, includes a competing potential part counting dimer-free hexagons. The zero-temperature phase diagram is studied by means of quantum Monte Carlo simulations, supplemented by variational arguments. It reveals some new crystalline phases and a cascade of transitions with rapidly changing flux (tilt in the height language). We analyze perturbatively the vicinity of the Rokhsar-Kivelson point, showing that this model has the microscopic ingredients needed for the "devil's staircase" scenario [Eduardo Fradkin et al. Phys. Rev. B 69, 224415 (2004)], and is therefore expected to produce fractal variations of the ground-state flux.

  8. Measuring free energy in spin-lattice models using parallel tempering Monte Carlo

    NASA Astrophysics Data System (ADS)

    Wang, Wenlong

    2015-05-01

    An efficient and simple approach of measuring the absolute free energy as a function of temperature for spin lattice models using a two-stage parallel tempering Monte Carlo and the free energy perturbation method is discussed and the results are compared with those of population annealing Monte Carlo using the three-dimensional Edwards-Anderson Ising spin glass model as benchmark tests. This approach requires little modification of regular parallel tempering Monte Carlo codes with also little overhead. Numerical results show that parallel tempering, even though using a much less number of temperatures than population annealing, can nevertheless equally efficiently measure the absolute free energy by simulating each temperature for longer times.

  9. Selective Advantage of Recombination in Evolving Protein Populations:. a Lattice Model Study

    NASA Astrophysics Data System (ADS)

    Williams, Paul D.; Pollock, David D.; Goldstein, Richard A.

    Recent research has attempted to clarify the contributions of several mutational processes, such as substitutions or homologous recombination. Simplistic, tractable protein models, which determine the compact native structure phenotype from the sequence genotype, are well-suited to such studies. In this paper, we use a lattice-protein model to examine the effects of point mutation and homologous recombination on evolving populations of proteins. We find that while the majority of mutation and recombination events are neutral or deleterious, recombination is far more likely to be beneficial. This results in a faster increase in fitness during evolution, although the final fitness level is not significantly changed. This transient advantage provides an evolutionary advantage to subpopulations that undergo recombination, allowing fixation of recombination to occur in the population.

  10. Fluctuation Behavior of Financial Return Interval Series Model for Percolation on Sierpinski Carpet Lattice

    NASA Astrophysics Data System (ADS)

    Dong, Yanfang; Wang, Jun

    2012-12-01

    A financial time series model is developed by the percolation system on the Sierpinski carpet lattice fractal. We investigate the fluctuation behaviors of various shuffled return interval series (original, randomly shuffled and by Zipf method) by applying the multifractal detrended fluctuation analysis for the financial model and Shanghai composite index. Numerically we show the fluctuations of the generalized Hurst exponents for different order parameters, the nonlinear dependence of these scaling exponents and the singularity spectrum show that the return intervals possess the multifractality. By comparing the MF-DFA empirical results of the original series to those for the randomly shuffled series, the empirical research exhibits the multifractality is mainly due to the contributions of long-range correlations as well as the broad probability density function. Further we show that the shuffled series by Zipf method exhibits the similar properties for the positive orders.

  11. The bulk, surface and corner free energies of the square lattice Ising model

    NASA Astrophysics Data System (ADS)

    Baxter, R. J.

    2017-01-01

    We use Kaufman’s spinor method to calculate the bulk, surface and corner free energies {f}{{b}},{f}{{s}},{f}{{s}}\\prime ,{f}{{c}} of the anisotropic square lattice zero-field Ising model for the ordered ferromagnetic case. For {f}{{b}},{f}{{s}},{f}{{s}}\\prime our results of course agree with the early work of Onsager, McCoy and Wu. We also find agreement with the conjectures made by Vernier and Jacobsen (VJ) for the isotropic case. We note that the corner free energy f c depends only on the elliptic modulus k that enters the working, and not on the argument v, which means that VJ’s conjecture applies for the full anisotropic model. The only aspect of this paper that is new is the actual derivation of f c, but by reporting all four free energies together we can see interesting structures linking them.

  12. Magnetic Correlations and Pairing in the 1/5-Depleted Square Lattice Hubbard Model

    DOE PAGES

    Khatemi, Ehsan; Singh, Rajiv R. P.; Pickett, Warren E.; ...

    2014-09-04

    We study the single-orbital Hubbard model on the 1/5-depleted square-lattice geometry, which arises in such diverse systems as the spin-gap magnetic insulator CaV4O9 and ordered-vacancy iron selenides, presenting new issues regarding the origin of both magnetic ordering and superconductivity in these materials. We find a rich phase diagram that includes a plaquette singlet phase, a dimer singlet phase, a Néel and a block-spin antiferromagnetic phase, and stripe phases. Quantum Monte Carlo simulations show that the dominant pairing correlations at half filling change character from d wave in the plaquette phase to extended s wave upon transition to the Néel phase.more » These findings have intriguing connections to iron-based superconductors, and suggest that some physics of multiorbital systems can be captured by a single-orbital model at different dopings.« less

  13. Zigzag order and phase competition in expanded Kitaev-Heisenberg model on honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Yao, Xiaoyan

    2015-07-01

    The Kitaev-Heisenberg model on the honeycomb lattice is investigated in two cases: (I) with the Kitaev interaction between the nearest neighbors, and (II) with the Kitaev interaction between the next nearest neighbors. In the full parameter range, the ground states are searched by Monte Carlo simulation and identified by evaluating the correlation functions. The energies of different phases are calculated and compared with the simulated result to show the phase competition. It is observed from both energy calculation and the density of states that the zigzag order shows a symmetric behavior to the stripy phase in the pure Kitaev-Heisenberg model. By considering more interactions in both cases, the energy of zigzag order can be reduced lower than the energies of other states. Thus the zigzag phase may be stabilized in more parameter region and even extended to the whole parameter range.

  14. Simulation of flow of mixtures through anisotropic porous media using a lattice Boltzmann model.

    PubMed

    Mendoza, M; Wittel, F K; Herrmann, H J

    2010-08-01

    We propose a description for transient penetration simulations of miscible and immiscible fluid mixtures into anisotropic porous media, using the lattice Boltzmann (LB) method. Our model incorporates hydrodynamic flow, advection-diffusion, surface tension, and the possibility for global and local viscosity variations to consider various types of hardening fluids. The miscible mixture consists of two fluids, one governed by the hydrodynamic equations and one by advection-diffusion equations. We validate our model on standard problems like Poiseuille flow, the collision of a drop with an impermeable, solid interface and the deformation of the fluid due to surface tension forces. To demonstrate the applicability to complex geometries, we simulate the invasion process of mixtures into wood spruce samples.

  15. Effect of forward looking sites on a multi-phase lattice hydrodynamic model

    NASA Astrophysics Data System (ADS)

    Redhu, Poonam; Gupta, Arvind Kumar

    2016-03-01

    A new multi-phase lattice hydrodynamic traffic flow model is proposed by considering the effect of multi-forward looking sites on a unidirectional highway. We examined the qualitative properties of proposed model through linear as well as nonlinear stability analysis. It is shown that the multi-anticipation effect can significantly enlarge the stability region on the phase diagram and exhibit three-phase traffic flow. It is also observed that the multi-forward looking sites have prominent influence on traffic flow when driver senses the relative flux of leading vehicles. Theoretical findings are verified using numerical simulation which confirms that the traffic jam is suppressed efficiently by considering the information of leading vehicles in unidirectional multi-phase traffic flow.

  16. Hubbard Model study of Off Diagonally Confined fermions in a 2D Optical Lattice

    NASA Astrophysics Data System (ADS)

    Cone, Dave; Chiesa, Simone; Scalettar, Richard; Batrouni, George

    2010-03-01

    We report Quantum Monte Carlo simulations of a Hubbard Hamiltonian which incorporates a proposed new method for confining atoms in an optical lattice employing an inhomogeneous array of hopping matrix elements which trap atoms by going to zero at the lattice edges. This has been termed ``Off Diagonal Confinement (ODC)'' [1] to distinguish it from the more conventional use of a parabolic trap coupling to (diagonal) density operators. It has the advantage of producing systems which, while still being inhomogeneous, are entirely in the Mott phase, and allow simulations which are free of the sign problem at low temperatures. We analyze the effects of using ODC traps on the local density, density fluctuation, spin, and pairing correlation functions. Finally, we will discuss the advantages and importance of this new confinement technique for modeling correlated systems. Research supported by the Department of Energy, Office of Science SCIDAC program, DOE-DE-FC0206ER25793. [1] V.G. Rousseau et al., arXiv:0909.3543

  17. Pairing symmetries in a Hubbard model on an anisotropic triangular lattice

    NASA Astrophysics Data System (ADS)

    Watanabe, Tsutomu; Yokoyama, Hisatoshi; Tanaka, Yukio; Inoue, Jun-ichiro

    2007-10-01

    To consider the paring symmetry formed in organic compounds κ-(BEDT-TTF)2X, we study the half-filled-band Hubbard model on an anisotropic triangular lattice (t in two bond directions and t‧ in the other), using an optimization VMC method. As trial states, we adopt a coexisting state of an antiferromagnetic (AF) order and the dx2-y2 -wave RVB gap, in addition to the d + id- and d + d-wave gap states. In these states, we take account of the effect of band (or Fermi surface) renormalization. Magnetic Mott transitions occur, and a regime of robust superconductivity could not be found, in contrast with our previous study. In the insulating regime, the coexisting state in which an AF order prevails is always the lowest-energy state up to remarkably large t‧/t (≲1.3), whereas a dxy-wave RVB state becomes predominant when t‧/t exceeds this value. In the insulating regime, the effective Fermi surface, determined by the renormalized value t˜‧ / t , is markedly renormalized into different directions according to t‧/t; for t‧/t ≲ 1.3, it approaches that of the square lattice (t˜‧ / t = 0) , whereas for t‧/t ≳ 1.3, it becomes almost one-dimensional (t˜‧ / t≫ 1) .

  18. Quantum solitons with emergent interactions in a model of cold atoms on the triangular lattice

    NASA Astrophysics Data System (ADS)

    Ueda, Hiroaki T.; Akagi, Yutaka; Shannon, Nic

    2016-02-01

    Cold atoms bring new opportunities to study quantum magnetism, and in particular, to simulate quantum magnets with symmetry greater than SU(2 ) . Here we explore the topological excitations which arise in a model of cold atoms on the triangular lattice with SU(3 ) symmetry. Using a combination of homotopy analysis and analytic field theory we identify a family of solitonic wave functions characterized by integer charge Q =(QA,QB,QC) , with QA+QB+QC=0 . We use a numerical approach, based on a variational wave function, to explore the stability of these solitons on a finite lattice. We find that solitons with charge Q =(1 ,1 ,-2 ) spontaneously decay into a pair of solitons with elementary topological charge, and emergent interactions. This result suggests that it could be possible to realize a class of interacting soliton, with no classical analog, using cold atoms. It also suggests the possibility of a new form of quantum spin liquid, with gauge group U(1 )×U(1 ) .

  19. Modeling the electrical conduction in DNA nanowires: charge transfer and lattice fluctuation theories.

    PubMed

    Behnia, S; Fathizadeh, S

    2015-02-01

    An analytical approach is proposed for the investigation of the conductivity properties of DNA. The charge mobility of DNA is studied based on an extended Peyrard-Bishop-Holstein model when the charge carrier is also subjected to an external electrical field. We have obtained the values of some of the system parameters, such as the electron-lattice coupling constant, by using the mean Lyapunov exponent method. On the other hand, the electrical current operator is calculated directly from the lattice operators. Also, we have studied Landauer resistance behavior with respect to the external field, which could serve as the interface between chaos theory tools and electronic concepts. We have examined the effect of two types of electrical fields (dc and ac) and variation of the field frequency on the current flowing through DNA. A study of the current-voltage (I-V) characteristic diagram reveals regions with a (quasi-)Ohmic property and other regions with negative differential resistance (NDR). NDR is a phenomenon that has been observed experimentally in DNA at room temperature. We have tried to study the affected agents in charge transfer phenomena in DNA to better design nanostructures.

  20. Color-gradient lattice Boltzmann model for simulating droplet motion with contact-angle hysteresis.

    PubMed

    Ba, Yan; Liu, Haihu; Sun, Jinju; Zheng, Rongye

    2013-10-01

    Lattice Boltzmann method (LBM) is an effective tool for simulating the contact-line motion due to the nature of its microscopic dynamics. In contact-line motion, contact-angle hysteresis is an inherent phenomenon, but it is neglected in most existing color-gradient based LBMs. In this paper, a color-gradient based multiphase LBM is developed to simulate the contact-line motion, particularly with the hysteresis of contact angle involved. In this model, the perturbation operator based on the continuum surface force concept is introduced to model the interfacial tension, and the recoloring operator proposed by Latva-Kokko and Rothman is used to produce phase segregation and resolve the lattice pinning problem. At the solid surface, the color-conserving wetting boundary condition [Hollis et al., IMA J. Appl. Math. 76, 726 (2011)] is applied to improve the accuracy of simulations and suppress spurious currents at the contact line. In particular, we present a numerical algorithm to allow for the effect of the contact-angle hysteresis, in which an iterative procedure is used to determine the dynamic contact angle. Numerical simulations are conducted to verify the developed model, including the droplet partial wetting process and droplet dynamical behavior in a simple shear flow. The obtained results are compared with theoretical solutions and experimental data, indicating that the model is able to predict the equilibrium droplet shape as well as the dynamic process of partial wetting and thus permits accurate prediction of contact-line motion with the consideration of contact-angle hysteresis.

  1. Three-dimensional lattice Boltzmann model for immiscible two-phase flow simulations

    NASA Astrophysics Data System (ADS)

    Liu, Haihu; Valocchi, Albert J.; Kang, Qinjun

    2012-04-01

    We present an improved three-dimensional 19-velocity lattice Boltzmann model for immisicible binary fluids with variable viscosity and density ratios. This model uses a perturbation step to generate the interfacial tension and a recoloring step to promote phase segregation and maintain surfaces. A generalized perturbation operator is derived using the concept of a continuum surface force together with the constraints of mass and momentum conservation. A theoretical expression for the interfacial tension is determined directly without any additional analysis and assumptions. The recoloring algorithm proposed by Latva-Kokko and Rothman is applied for phase segregation, which minimizes the spurious velocities and removes lattice pinning. This model is first validated against the Laplace law for a stationary bubble. It is found that the interfacial tension is predicted well for density ratios up to 1000. The model is then used to simulate droplet deformation and breakup in simple shear flow. We compute droplet deformation at small capillary numbers in the Stokes regime and find excellent agreement with the theoretical Taylor relation for the segregation parameter β=0.7. In the limit of creeping flow, droplet breakup occurs at a critical capillary number 0.35

  2. Microcanonical Monte Carlo study of one dimensional self-gravitating lattice gas models

    NASA Astrophysics Data System (ADS)

    Maciel, Joao Marcos; Amato, Marco Antônio; da Rocha Filho, Tarcisio Marciano; Figueiredo, Annibal D.

    2017-03-01

    In this study we present a microcanonical Monte Carlo investigation of one dimensional (1 - d) self-gravitating toy models. We study the effect of hard-core potentials and compare to the results obtained with softening parameters and also the effect of the topology on these systems. In order to study the effect of the topology in the system we introduce a model with the symmetry of motion in a line instead of a circle, which we denominate as 1 /r model. The hard-core particle potential introduces the effect of the size of particles and, consequently, the effect of the density of the system that is redefined in terms of the packing fraction of the system. The latter plays a role similar to the softening parameter ɛ in the softened particles' case. In the case of low packing fractions both models with hard-core particles show a behavior that keeps the intrinsic properties of the three dimensional gravitational systems such as negative heat capacity. For higher values of the packing fraction the ring model behaves as the potential for the standard cosine Hamiltonian Mean Field model while for the 1 /r model it is similar to the one-dimensional systems. In the present paper we intend to show that a further simplification level is possible by introducing the lattice-gas counterpart of such models, where a drastic simplification of the microscopic state is obtained by considering a local average of the exact N-body dynamics.

  3. Multicomponent interparticle-potential lattice Boltzmann model for fluids with large viscosity ratios.

    PubMed

    Porter, Mark L; Coon, E T; Kang, Q; Moulton, J D; Carey, J W

    2012-09-01

    This work focuses on an improved multicomponent interparticle-potential lattice Boltzmann model. The model results in viscosity-independent equilibrium densities and is capable of simulating kinematic viscosity ratios greater than 1000. External forces are incorporated into the discrete Boltzmann equation, rather than through an equilibrium velocity shift as in the original Shan and Chen (hereafter, SC) model. The model also requires the derivation of a momentum conserving effective velocity, which is substituted into the equilibrium distribution function and applies to both the single- and multiple-relaxation-time formulations. Additionally, higher-order isotropy is used in the calculation of the fluid-fluid interaction forces to reduce the magnitude of spurious currents (i.e., numerical errors) in the vicinity of interfaces. First, we compare the model to the SC model for static bubble simulations. We demonstrate that the model results in viscosity-independent equilibrium bubble densities for a wide range of kinematic viscosities, which is not the case for the SC model. Furthermore, we show that the model is capable of simulating stable bubbles for kinematic viscosity ratios greater than 1000 (when higher-order isotropy is used), whereas the SC model is known to be limited to kinematic viscosity ratios on the order of 10. Next we verify the model for surface tension via Laplace's law and show that the model results in the same surface tension values for a range of kinematic viscosities and kinematic viscosity ratios of 10, 100, and 1000. The model is also verified for layered cocurrent flow though parallel plates. We show that the simulated velocity profiles preserve continuity at the interface for kinematic viscosity ratios ranging from 0.001 to 1000 and that the model accurately predicts nonwetting and wetting phase relative permeability for kinematic viscosity ratios of 0.01 to 100.

  4. Mean field lattice model for adsorption isotherms in zeolite NaA

    NASA Astrophysics Data System (ADS)

    Ayappa, K. G.; Kamala, C. R.; Abinandanan, T. A.

    1999-05-01

    Using a lattice model for adsorption in microporous materials, pure component adsorption isotherms are obtained within a mean field approximation for methane at 300 K and xenon at 300 and 360 K in zeolite NaA. It is argued that the increased repulsive adsorbate-adsorbate interactions at high coverages must play an important role in determining the adsorption behavior. Therefore, this feature is incorporated through a "coverage-dependent interaction" model, which introduces a free, adjustable parameter. Another important feature, the site volume reduction, has been treated in two ways: a van der Waal model and a 1D hard-rod theory [van Tassel et al., AIChE J. 40, 925 (1994)]; we have also generalized the latter to include all possible adsorbate overlap scenarios. In particular, the 1D hard-rod model, with our coverage-dependent interaction model, is shown to be in best quantitative agreement with the previous grand canonical Monte Carlo isotherms. The expressions for the isosteric heats of adsorption indicate that attractive and repulsive adsorbate-adsorbate interactions increase and decrease the heats of adsorption, respectively. It is concluded that within the mean field approximation, our simple model for repulsive interactions and the 1D hard-rod model for site volume reduction are able to capture most of the important features of adsorption in confined regions.

  5. A hydrodynamically-consistent MRT lattice Boltzmann model on a 2D rectangular grid

    NASA Astrophysics Data System (ADS)

    Peng, Cheng; Min, Haoda; Guo, Zhaoli; Wang, Lian-Ping

    2016-12-01

    A multiple-relaxation time (MRT) lattice Boltzmann (LB) model on a D2Q9 rectangular grid is designed theoretically and validated numerically in the present work. By introducing stress components into the equilibrium moments, this MRT-LB model restores the isotropy of diffusive momentum transport at the macroscopic level (or in the continuum limit), leading to moment equations that are fully consistent with the Navier-Stokes equations. The model is derived by an inverse design process which is described in detail. Except one moment associated with the energy square, all other eight equilibrium moments can be theoretically and uniquely determined. The model is then carefully validated using both the two-dimensional decaying Taylor-Green vortex flow and lid-driven cavity flow, with different grid aspect ratios. The corresponding results from an earlier model (Bouzidi et al. (2001) [28]) are also presented for comparison. The results of Bouzidi et al.'s model show problems associated with anisotropy of viscosity coefficients, while the present model exhibits full isotropy and is accurate and stable.

  6. Modeling Spatial Maps Inspired by the Hippocampal System

    DTIC Science & Technology

    2015-08-24

    Kechen Zhang 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Johns Hopkins University...map in which place cells are flexibly recombined to represent a large space. Its inherent flexibility gives the megamap a huge representational...SUBJECT TERMS hippocampal place cells, spatial map, cognitive map, attractor network model, continuous attractor, temporal sequence, path integration 16

  7. Spin-lattice distribution MRI maps nigral pathology in progressive supranuclear palsy (PSP) during life: a pilot study.

    PubMed

    Hutchinson, Michael; Raff, Ulrich; Chaná, Pedro; Huete, Isidro

    2014-01-01

    An MRI biomarker for Parkinsonism has long been sought, but almost all attempts at conventional field strengths have proved unsatisfactory, since patients and controls are not separated. The exception is Spin-Lattice Distribution MRI (SLD-MRI), a technique which detects changes in the substantia nigra (SN) due to changes in the spin-lattice relaxation time, T1. This easily separates patients with Parkinson's disease (PD) from control subjects at 1.5 Tesla, suggesting that it may be sensitive to presymptomatic disease. SLD-MRI demonstrates a topography of signal change within the SN which is the same as the known topography of pathological change, where the lateral portions of the nucleus are more affected than the medial. In a further step towards its validation, we apply SLD-MRI to a disease control, Progressive Supranuclear Palsy (PSP), the most common of the atypical forms of Parkinsonism. In PSP the topography of pathological change in the SN is reversed. We therefore hypothesized that PSP would show a topography of SLD-MRI signal change in the SN that is the reverse of PD (i.e. the medial portion is more affected than the lateral). All 7 patients showed such a topography of MR signal, and all patients were separated from control subjects. Although this is a step toward validation of SLD-MRI with respect to sensitivity and disease specificity, nevertheless we stress that this is a pilot project only. Validation will only be possible when comparing larger cohorts of PSP, PD and control subjects.

  8. Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom models

    SciTech Connect

    Kouza, Maksim Kolinski, Andrzej; Co, Nguyen Truong; Nguyen, Phuong H.; Li, Mai Suan

    2015-04-14

    Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer’s and Parkinson’s diseases. Despite the fact that the fibril formation process is very slow and thus poses a significant challenge for theoretical and experimental studies, a number of alternative pictures of molecular mechanisms of amyloid fibril formation have been recently proposed. What seems to be common for the majority of the proposed models is that fibril elongation involves the formation of pre-nucleus seeds prior to the creation of a critical nucleus. Once the size of the pre-nucleus seed reaches the critical nucleus size, its thermal fluctuations are expected to be small and the resulting nucleus provides a template for sequential (one-by-one) accommodation of added monomers. The effect of template fluctuations on fibril formation rates has not been explored either experimentally or theoretically so far. In this paper, we make the first attempt at solving this problem by two sets of simulations. To mimic small template fluctuations, in one set, monomers of the preformed template are kept fixed, while in the other set they are allowed to fluctuate. The kinetics of addition of a new peptide onto the template is explored using all-atom simulations with explicit water and the GROMOS96 43a1 force field and simple lattice models. Our result demonstrates that preformed template fluctuations can modulate protein aggregation rates and pathways. The association of a nascent monomer with the template obeys the kinetics partitioning mechanism where the intermediate state occurs in a fraction of routes to the protofibril. It was shown that template immobility greatly increases the time of incorporating a new peptide into the preformed template compared to the fluctuating template case. This observation has also been confirmed by simulation using lattice models and may be invoked to understand the role of template fluctuations in

  9. Preformed template fluctuations promote fibril formation: insights from lattice and all-atom models.

    PubMed

    Kouza, Maksim; Co, Nguyen Truong; Nguyen, Phuong H; Kolinski, Andrzej; Li, Mai Suan

    2015-04-14

    Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer's and Parkinson's diseases. Despite the fact that the fibril formation process is very slow and thus poses a significant challenge for theoretical and experimental studies, a number of alternative pictures of molecular mechanisms of amyloid fibril formation have been recently proposed. What seems to be common for the majority of the proposed models is that fibril elongation involves the formation of pre-nucleus seeds prior to the creation of a critical nucleus. Once the size of the pre-nucleus seed reaches the critical nucleus size, its thermal fluctuations are expected to be small and the resulting nucleus provides a template for sequential (one-by-one) accommodation of added monomers. The effect of template fluctuations on fibril formation rates has not been explored either experimentally or theoretically so far. In this paper, we make the first attempt at solving this problem by two sets of simulations. To mimic small template fluctuations, in one set, monomers of the preformed template are kept fixed, while in the other set they are allowed to fluctuate. The kinetics of addition of a new peptide onto the template is explored using all-atom simulations with explicit water and the GROMOS96 43a1 force field and simple lattice models. Our result demonstrates that preformed template fluctuations can modulate protein aggregation rates and pathways. The association of a nascent monomer with the template obeys the kinetics partitioning mechanism where the intermediate state occurs in a fraction of routes to the protofibril. It was shown that template immobility greatly increases the time of incorporating a new peptide into the preformed template compared to the fluctuating template case. This observation has also been confirmed by simulation using lattice models and may be invoked to understand the role of template fluctuations in

  10. Third-order analysis of pseudopotential lattice Boltzmann model for multiphase flow

    NASA Astrophysics Data System (ADS)

    Huang, Rongzong; Wu, Huiying

    2016-12-01

    In this work, a third-order Chapman-Enskog analysis of the multiple-relaxation-time (MRT) pseudopotential lattice Boltzmann (LB) model for multiphase flow is performed for the first time. The leading terms on the interaction force, consisting of an anisotropic and an isotropic term, are successfully identified in the third-order macroscopic equation recovered by the lattice Boltzmann equation (LBE), and then new mathematical insights into the pseudopotential LB model are provided. For the third-order anisotropic term, numerical tests show that it can cause the stationary droplet to become out-of-round, which suggests the isotropic property of the LBE needs to be seriously considered in the pseudopotential LB model. By adopting the classical equilibrium moment or setting the so-called "magic" parameter to 1/12, the anisotropic term can be eliminated, which is found from the present third-order analysis and also validated numerically. As for the third-order isotropic term, when and only when it is considered, accurate continuum form pressure tensor can be definitely obtained, by which the predicted coexistence densities always agree well with the numerical results. Compared with this continuum form pressure tensor, the classical discrete form pressure tensor is accurate only when the isotropic term is a specific one. At last, in the framework of the present third-order analysis, a consistent scheme for third-order additional term is proposed, which can be used to independently adjust the coexistence densities and surface tension. Numerical tests are subsequently carried out to validate the present scheme.

  11. Effect of the repulsion interaction on the ground-state of the Kondo lattice model with a superlattice potential

    NASA Astrophysics Data System (ADS)

    Silva-Valencia, J.; Franco, R.; Figueira, M. S.

    2014-04-01

    We investigate the ground-state of a new Kondo lattice model, where the free carriers interact repulsively between them and undergo an external superlattice potential. This model can be simulated with 171Yb atoms confined in optical lattices. We use the density matrix renormalization group method to evaluate the charge and spin gaps, and the structure factors. We found that the ground-state evolves from a Kondo spin liquid state to a charge-gapped antiferromagnetic state with zero spin gap, when the antiferromagnetic exchange increases. Also, we verify that the quantum critical point varies linearly with the repulsion and the exchange.

  12. Spin Nematics, Valence-Bond Solids, and Spin Liquids in SO(N) Quantum Spin Models on the Triangular Lattice.

    PubMed

    Kaul, Ribhu K

    2015-10-09

    We introduce a simple model of SO(N) spins with two-site interactions which is amenable to quantum Monte Carlo studies without a sign problem on nonbipartite lattices. We present numerical results for this model on the two-dimensional triangular lattice where we find evidence for a spin nematic at small N, a valence-bond solid at large N, and a quantum spin liquid at intermediate N. By the introduction of a sign-free four-site interaction, we uncover a rich phase diagram with evidence for both first-order and exotic continuous phase transitions.

  13. A lattice Boltzmann model for multiphase flows interacting with deformable bodies

    NASA Astrophysics Data System (ADS)

    De Rosis, Alessandro

    2014-11-01

    In this paper, a numerical model to simulate a multiphase flow interacting with deformable solid bodies is proposed. The fluid domain is modeled through the lattice Boltzmann method and the Shan-Chen model is adopted to handle the multiphase feature. The interaction of the flow with immersed solid bodies is accounted for by using the Immersed Boundary method. Corotational beam finite elements are used to model the deformable bodies and non-linear structure dynamics is predicted through the Time Discontinuous Galerkin method. A numerical campaign is carried out in order to assess the effectiveness and accuracy of the proposed modeling by involving different scenarios. In particular, the model is validated by performing the bubble test and by comparing present results with the ones from a numerical commercial software. Moreover, the properties in terms of convergence are discussed. In addition, the effectiveness of the proposed methodology is evaluated by computing the error in terms of the energy that is artificially introduced in the system at the fluid-solid interface. Present findings show that the proposed approach is robust, accurate and suitable of being applied to a lot of practical applications involving the interaction between multiphase flows and deformable solid bodies.

  14. Lattice-Boltzmann Diesel Particulate Filter Sub-Grid Modeling - A Progress Report

    SciTech Connect

    Muntean, George G.; Rector, David R.; Herling, Darrell R.; Khaleel, Mohammad A.; Lessor, Delbert L.

    2004-09-30

    After treatment modeling capabilities are an important part of the diesel engine manufacturer's efforts to meet the quickly approaching EPA 2007 heavy-duty emissions regulations. A critical, yet poorly understood, component of particulate filter modeling is the representation of the soot oxidation rate. This term directly influences most of the macroscopic phenomenon of interest, including filtration efficiency, heat transfer, back pressure, and filter regeneration. Intrinsic soot cake properties such as packing density, permeability and heat transfer coefficients remain inadequately characterized (1). The work reported in this paper involves subgrid modeling techniques which may prove useful in resolving these inadequacies. The technique involves the use of a lattice Boltzmann modeling approach. This approach resolves length scales which are orders of magnitude below those typical of a standard computational fluid dynamics (CFD) representation of an aftertreatment device. The improved resolution may allow for the characterization of functionality not previously reported in the literature. This paper presents the first status report of this multiyear project. Descriptions of the modeling technique, the initial kinetics, and the development of the computational domain are provided. In addition, preliminary sample exercises are discussed in order to illustrate how the final model, once refined and validated, may be applied in practice.

  15. Chaotic and stable perturbed maps: 2-cycles and spatial models

    NASA Astrophysics Data System (ADS)

    Braverman, E.; Haroutunian, J.

    2010-06-01

    As the growth rate parameter increases in the Ricker, logistic and some other maps, the models exhibit an irreversible period doubling route to chaos. If a constant positive perturbation is introduced, then the Ricker model (but not the classical logistic map) experiences period doubling reversals; the break of chaos finally gives birth to a stable two-cycle. We outline the maps which demonstrate a similar behavior and also study relevant discrete spatial models where the value in each cell at the next step is defined only by the values at the cell and its nearest neighbors. The stable 2-cycle in a scalar map does not necessarily imply 2-cyclic-type behavior in each cell for the spatial generalization of the map.

  16. Execution models for mapping programs onto distributed memory parallel computers

    NASA Technical Reports Server (NTRS)

    Sussman, Alan

    1992-01-01

    The problem of exploiting the parallelism available in a program to efficiently employ the resources of the target machine is addressed. The problem is discussed in the context of building a mapping compiler for a distributed memory parallel machine. The paper describes using execution models to drive the process of mapping a program in the most efficient way onto a particular machine. Through analysis of the execution models for several mapping techniques for one class of programs, we show that the selection of the best technique for a particular program instance can make a significant difference in performance. On the other hand, the results of benchmarks from an implementation of a mapping compiler show that our execution models are accurate enough to select the best mapping technique for a given program.

  17. Effect of optimal estimation of flux difference information on the lattice traffic flow model

    NASA Astrophysics Data System (ADS)

    Yang, Shu-hong; Li, Chun-gui; Tang, Xin-lai; Tian, Chuan

    2016-12-01

    In this paper, a new lattice model is proposed by considering the optimal estimation of flux difference information. The effect of this new consideration upon the stability of traffic flow is examined through linear stability analysis. Furthermore, a modified Korteweg-de Vries (mKdV) equation near the critical point is constructed and solved by means of nonlinear analysis method, and thus the propagation behavior of traffic jam can be described by the kink-antikink soliton solution of the mKdV equation. Numerical simulation is carried out under periodical condition with results in good agreement with theoretical analysis, therefore, it is verified that the new consideration can enhance the stability of traffic systems and suppress the emergence of traffic jams effectively.

  18. Analysis of average density difference effect in a new two-lane lattice model

    NASA Astrophysics Data System (ADS)

    Zhang, Geng; Sun, Di-Hua; Zhao, Min; Liu, Wei-Ning; Cheng, Sen-Lin

    2015-11-01

    A new lattice model is proposed by taking the average density difference effect into account for two-lane traffic system according to Transportation Cyber-physical Systems. The influence of average density difference effect on the stability of traffic flow is investigated through linear stability theory and nonlinear reductive perturbation method. The linear analysis results reveal that the unstable region would be reduced by considering the average density difference effect. The nonlinear kink-antikink soliton solution derived from the mKdV equation is analyzed to describe the properties of traffic jamming transition near the critical point. Numerical simulations confirm the analytical results showing that traffic jam can be suppressed efficiently by considering the average density difference effect for two-lane traffic system.

  19. Spin excitations and thermodynamics of the antiferromagnetic Heisenberg model on the layered honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Vladimirov, Artem A.; Ihle, Dieter; Plakida, Nikolay M.

    2017-03-01

    We present a spin-rotation-invariant Green-function theory for the dynamic spin susceptibility in the spin-1/2 antiferromagnetic Heisenberg model on a stacked honeycomb lattice. Employing a generalized mean-field approximation for arbitrary temperatures, the thermodynamic quantities (two-spin correlation functions, internal energy, magnetic susceptibility, staggered magnetization, Néel temperature, correlation length) and the spin-excitation spectrum are calculated by solving a coupled system of self-consistency equations for the correlation functions. The temperature dependence of the magnetic (uniform static) susceptibility is ascribed to antiferromagnetic short-range order. The Néel temperature is calculated for arbitrary interlayer couplings. Our results are in a good agreement with numerical computations for finite clusters and with available experimental data on the β-Cu2V2O2 compound.

  20. Lattice hydrodynamic modeling of two-lane traffic flow with timid and aggressive driving behavior

    NASA Astrophysics Data System (ADS)

    Sharma, Sapna

    2015-03-01

    In this paper, a new two-lane lattice hydrodynamic traffic flow model is proposed by considering the aggressive or timid characteristics of driver's behavior. The effect of driver's characteristic on the stability of traffic flow is examined through linear stability analysis. It is shown that for both the cases of lane changing or without lane changing the stability region significantly enlarges (reduces) as the proportion of aggressive (timid) drivers increases. To describe the propagation behavior of a density wave near the critical point, nonlinear analysis is conducted and mKdV equation representing kink-antikink soliton is derived. The effect of anticipation parameter with more aggressive (timid) drivers is also investigated and found that it has a positive (negative) effect on the stability of two-lane traffic flow dynamics. Simulation results are found consistent with the theoretical findings which confirm that the driver's characteristics play a significant role in a two-lane traffic system.