Coupled map lattice model of jet breakup
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.
Exact maps in density functional theory for lattice models
NASA Astrophysics Data System (ADS)
Dimitrov, Tanja; Appel, Heiko; Fuks, Johanna I.; Rubio, Angel
2016-08-01
In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and graphically illustrate the complete exact density-to-wavefunction map that underly the Hohenberg–Kohn theorem in density functional theory. Having the explicit wavefunction-to-density map at hand, we are able to construct arbitrary observables as functionals of the ground-state density. We analyze the density-to-potential map as the distance between the fragments of a system increases and the correlation in the system grows. We observe a feature that gradually develops in the density-to-potential map as well as in the density-to-wavefunction map. This feature is inherited by arbitrary expectation values as functional of the ground-state density. We explicitly show the excited-state energies, the excited-state densities, and the correlation entropy as functionals of the ground-state density. All of them show this exact feature that sharpens as the coupling of the fragments decreases and the correlation grows. We denominate this feature as intra-system steepening and discuss how it relates to the well-known inter-system derivative discontinuity. The inter-system derivative discontinuity is an exact concept for coupled subsystems with degenerate ground state. However, the coupling between subsystems as in charge transfer processes can lift the degeneracy. An important conclusion is that for such systems with a near-degenerate ground state, the corresponding cut along the particle number N of the exact density functionals is differentiable with a well-defined gradient near integer particle number.
A coupled map lattice model for rheological chaos in sheared nematic liquid crystals.
Kamil, S M; Menon, Gautam I; Sinha, Sudeshna
2010-12-01
A variety of complex fluids under shear exhibit complex spatiotemporal behavior, including what is now termed rheological chaos, at moderate values of the shear rate. Such chaos associated with rheological response occurs in regimes where the Reynolds number is very small. It must thus arise as a consequence of the coupling of the flow to internal structural variables describing the local state of the fluid. We propose a coupled map lattice model for such complex spatiotemporal behavior in a passively sheared nematic liquid crystal using local maps constructed so as to accurately describe the spatially homogeneous case. Such local maps are coupled diffusively to nearest and next-nearest neighbors to mimic the effects of spatial gradients in the underlying equations of motion. We investigate the dynamical steady states obtained as parameters in the map and the strength of the spatial coupling are varied, studying local temporal properties at a single site as well as spatiotemporal features of the extended system. Our methods reproduce the full range of spatiotemporal behavior seen in earlier one-dimensional studies based on partial differential equations. We report results for both the one- and two-dimensional cases, showing that spatial coupling favors uniform or periodically time-varying states, as intuitively expected. We demonstrate and characterize regimes of spatiotemporal intermittency out of which chaos develops. Our work indicates that similar simplified lattice models of the dynamics of complex fluids under shear should provide useful ways to access and quantify spatiotemporal complexity in such problems, in addition to representing a fast and numerically tractable alternative to continuum representations. PMID:21198093
Heterogeneous, weakly coupled map lattices
NASA Astrophysics Data System (ADS)
Sotelo Herrera, M.^{a.} Dolores; San Martín, Jesús; Porter, Mason A.
2016-07-01
Coupled map lattices (CMLs) are often used to study emergent phenomena in nature. It is typically assumed (unrealistically) that each component is described by the same map, and it is important to relax this assumption. In this paper, we characterize periodic orbits and the laminar regime of type-I intermittency in heterogeneous weakly coupled map lattices (HWCMLs). We show that the period of a cycle in an HWCML is preserved for arbitrarily small coupling strengths even when an associated uncoupled oscillator would experience a period-doubling cascade. Our results characterize periodic orbits both near and far from saddle-node bifurcations, and we thereby provide a key step for examining the bifurcation structure of heterogeneous CMLs.
Trace maps of general Padovan lattices
NASA Astrophysics Data System (ADS)
Tong, Peiqing
2000-07-01
The two kinds of seven-dimensional trace maps of a new class of three-component quasiperiodic lattices, which are constructed based on the general Padovan sequences Sl+1 ={ Sl-1 m, Sl-2 n}, are derived for arbitrary integer value of m and n. It is shown that these lattices can be grouped into two distinct class. The lattices in class I correspond to n=1 and arbitrary m. They are shown to have volume-preserving second kind maps. The results are compared with those of other three-component quasiperiodic lattices.
A lattice model for data display
NASA Technical Reports Server (NTRS)
Hibbard, William L.; Dyer, Charles R.; Paul, Brian E.
1994-01-01
In order to develop a foundation for visualization, we develop lattice models for data objects and displays that focus on the fact that data objects are approximations to mathematical objects and real displays are approximations to ideal displays. These lattice models give us a way to quantize the information content of data and displays and to define conditions on the visualization mappings from data to displays. Mappings satisfy these conditions if and only if they are lattice isomorphisms. We show how to apply this result to scientific data and display models, and discuss how it might be applied to recursively defined data types appropriate for complex information processing.
Lattice Boltzmann morphodynamic model
NASA Astrophysics Data System (ADS)
Zhou, Jian Guo
2014-08-01
Morphological change due to sediment transport is a common natural phenomenon in real flows. It involves complex processes of erosion and deposition such as those along beaches and in river beds, imposing a strong strain on human beings. Studying and understanding morphodynamic evolution are essential to protect living environment. Although there are conventional numerical methods like finite difference method and finite volume method for forecast of morphological change by solving flow and morphodynamic equations, the methods are too complex/inefficient to be applied to a real large scale problem. To overcome this, a lattice Boltzmann method is developed to simulate morphological evolution under flows. It provides an alternative way of studying morphodynamics at the full advantages of the lattice Boltzmann methodology. The model is verified by applications to the evolution of one and two dimensional sand dunes under shallow water flows.
A multivariate CAR model for mismatched lattices.
Porter, Aaron T; Oleson, Jacob J
2014-10-01
In this paper, we develop a multivariate Gaussian conditional autoregressive model for use on mismatched lattices. Most current multivariate CAR models are designed for each multivariate outcome to utilize the same lattice structure. In many applications, a change of basis will allow different lattices to be utilized, but this is not always the case, because a change of basis is not always desirable or even possible. Our multivariate CAR model allows each outcome to have a different neighborhood structure which can utilize different lattices for each structure. The model is applied in two real data analysis. The first is a Bayesian learning example in mapping the 2006 Iowa Mumps epidemic, which demonstrates the importance of utilizing multiple channels of infection flow in mapping infectious diseases. The second is a multivariate analysis of poverty levels and educational attainment in the American Community Survey. PMID:25457598
Lattice Tube Model of Proteins
NASA Astrophysics Data System (ADS)
Banavar, Jayanth R.; Cieplak, Marek; Maritan, Amos
2004-11-01
We present a new lattice model for proteins that incorporates a tubelike anisotropy by introducing a preference for mutually parallel alignments in the conformations. The model is demonstrated to capture many aspects of real proteins.
Nonequilibrium model on Archimedean lattices
NASA Astrophysics Data System (ADS)
Lima, F.
2014-03-01
On (4, 6, 12) and (4, 82) Archimedean lattices, the critical properties of the majority-vote model are considered and studied using the Glauber transition rate proposed by Kwak et al. [Kwak et al., Phys. Rev. E, 75, 061110 (2007)] rather than the traditional majority-vote with noise [Oliveira, J. Stat. Phys. 66, 273 (1992)]. We obtain T c and the critical exponents for this Glauber rate from extensive Monte Carlo studies and finite size scaling. The calculated values of the critical temperatures and Binder cumulant are T c = 0.651(3) and U 4* = 0.612(5), and T c = 0.667(2) and U 4* = 0.613(5), for (4, 6, 12) and (4, 82) lattices respectively, while the exponent (ratios) β/ν, γ/ν and 1/ν are respectively: 0.105(8), 1.48(11) and 1.16(5) for (4, 6, 12); and 0.113(2), 1.60(4) and 0.84(6) for (4, 82) lattices. The usual Ising model and the majority-vote model on previously studied regular lattices or complex networks differ from our new results.
Nonequilibrium model on Archimedean lattices
NASA Astrophysics Data System (ADS)
Lima, F. Welington S.
2014-03-01
On (4, 6, 12) and (4, 82) Archimedean lattices, the critical properties of the majority-vote model are considered and studied using the Glauber transition rate proposed by Kwak et al. [Kwak et al., Phys. Rev. E, 75, 061110 (2007)] rather than the traditional majority-vote with noise [Oliveira, J. Stat. Phys. 66, 273 (1992)]. We obtain T c and the critical exponents for this Glauber rate from extensive Monte Carlo studies and finite size scaling. The calculated values of the critical temperatures and Binder cumulant are T c = 0.651(3) and U {4/*} = 0.612(5), and T c = 0.667(2) and U {4/*} = 0.613(5), for (4, 6, 12) and (4, 82) lattices respectively, while the exponent (ratios) β/ν, γ/ν and 1/ ν are respectively: 0.105(8), 1.48(11) and 1.16(5) for (4, 6, 12); and 0.113(2), 1.60(4) and 0.84(6) for (4, 82) lattices. The usual Ising model and the majority-vote model on previously studied regular lattices or complex networks differ from our new results.
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.
Spatiotemporal chaos is one- and two-dimensional coupled map lattices
Kaneko, Kunihiko
1988-01-01
Coupled map lattices are investigated as a model for spatiotemporal chaos. Pattern dynamics in diffusively coupled logistic lattice is briefly reviewed with the use of power spectra, domain distribution, and Lyapunov spectra. Mechanism of pattern selection with the suppression of chaos is discussed. Pattern dynamics on a 2-dimensional lattice is shown. In a weak coupling regime, a similarity with the one-dimensional case is found; frozen random pattern, pattern selection, Brownian motion of a chaotic string, and intermittent collapse of the pattern with selective flicker noise. In a strong coupling regime, frozen pattern is found to be unstable by the surface tension, which is in contrast with the one-dimensional case. Convective coupling model is introduced in connection with the fluid turbulence of Navier--Stokes type. Soliton turbulence and vortex turbulence in the model are reported. Physical implications of coupled map lattices are discussed.
Fuzzy lattice neurocomputing (FLN) models.
Kaburlasos, V G; Petridis, V
2000-12-01
In this work it is shown how fuzzy lattice neurocomputing (FLN) emerges as a connectionist paradigm in the framework of fuzzy lattices (FL-framework) whose advantages include the capacity to deal rigorously with: disparate types of data such as numeric and linguistic data, intervals of values, 'missing' and 'don't care' data. A novel notation for the FL-framework is introduced here in order to simplify mathematical expressions without losing content. Two concrete FLN models are presented, namely 'sigma-FLN' for competitive clustering, and 'FLN with tightest fits (FLNtf)' for supervised clustering. Learning by the sigma-FLN, is rapid as it requires a single pass through the data, whereas learning by the FLNtf, is incremental, data order independent, polynomial theta(n3), and it guarantees maximization of the degree of inclusion of an input in a learned class as explained in the text. Convenient geometric interpretations are provided. The sigma-FLN is presented here as fuzzy-ART's extension in the FL-framework such that sigma-FLN widens fuzzy-ART's domain of application to (mathematical) lattices by augmenting the scope of both of fuzzy-ART's choice (Weber) and match functions, and by enhancing fuzzy-ART's complement coding technique. The FLNtf neural model is applied to four benchmark data sets of various sizes for pattern recognition and rule extraction. The benchmark data sets in question involve jointly numeric and nominal data with 'missing' and/or 'don't care' attribute values, whereas the lattices involved include the unit-hypercube, a probability space, and a Boolean algebra. The potential of the FL-framework in computing is also delineated. PMID:11156192
Quantum and Lattice Models of Biological Evolution
NASA Astrophysics Data System (ADS)
Hu, Chin-Kun
2007-07-01
Noise in environments can cause mutation in genetic materials of biological systems. In this paper, I first introduce some molecular models of biological evolution, including Eigen model with connected mutation-selection scheme and Crow-Kimura (CK) model with parallel mutation-selection scheme. Baake et al. mapped the CK model into a quantum spin model. Recently, Saakian and I did the similar mapping for the Eigen model. Using Suzuki-Trottere formalism, we studied statics and dynamics of the Eigen model and the CK model with the single-peak fitness function and found that the relaxation in the parallel model is faster than that in the connected model. We studied both models with rather general fitness functions and obtained error thresholds for various cases. We studied the Eigen model with multiple peaks which can represent virus or cancer cells attached by drug or the immune systems. Finally, we studied a lattice model for co-evolution of virus and immune system and found that the model shows self-organized behavior.
Experimental system of coupled map lattices
NASA Astrophysics Data System (ADS)
Ma, Yu-Han; Huang, Lan-Qing; Sun, Chu-Min; Li, Xiao-Wen
2015-06-01
We design an optical feedback loop system consisting of a liquid-crystal spatial light modulator (SLM), a lens, polarizers, a CCD camera, and a computer. The system images every SLM pixel onto one camera pixel. The light intensity on the camera pixel shows a nonlinear relationship with the phase shift applied by the SLM. Every pixel behaves as a nonlinear map, and we can control the interaction of pixels. Therefore, this feedback loop system can be regarded as a spatially extended system. This experimental coupled map has variable dimensions, which can be up to 512 by 512. The system can be used to study high-dimensional problems that computer simulations cannot handle.
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.
Lattice models of biological growth
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.
Simple lattice model of macroevolution
NASA Astrophysics Data System (ADS)
Borkowski, Wojciech
2009-04-01
In future astrobiology, like in modern astrophysics, the numerical simulations can be a very important tool for proving theories. In this paper, I propose a simple lattice model of a multi-species ecosystem suitable for the study of emergent properties of macroevolution. Unlike the majority of ecological models, the number of species is not fixed - they emerge by "mutation" of existing species, then survive or go extinct depending on the balance between local ecological interactions. The Monte-Carlo numerical simulations show that this model is able to qualitatively reproduce phenomena that have been empirically observed, like the dependence between size of the isolated area and the number of species inhabiting there, primary production and species-diversity. The model allows also studying the causes of mass extinctions and more generally, repeatability, and the role of pure chance in macroevolution.
Lee, Y. K.
2006-07-01
Power distribution calculation is a very important task for fuel assembly design and whole core safety analysis. In Monte Carlo power map calculation, both lattice geometry and lattice tally functions are essential. The lattice geometry features of TRIPOLI-4 Monte Carlo code have been reported in previous studies. Lattice tally functions of TRIPOLI-4.3 can be used to tally on some or all cells in a fuel pin lattice and to tally on a fuel assembly lattice with pin-by-pin modeling. In order to study the power maps in pin-by-pin level and in assembly-by-assembly level, this paper using lattice tally of TRIPOLI-4.3 code interprets three PWR critical lattice experiments from LEU-COMP-THERM-008 benchmark. The calculated K{sub eff} and relative assembly power maps in a 3 x 3 symmetry configuration have been investigated. The measured relative pin power distributions of 1/8 central assembly with different effects of lattice heterogeneity have been benchmarked against calculated ones. (authors)
Subsurface micro-lattice strain mapping
NASA Astrophysics Data System (ADS)
Ananthanarayanan, T. S.; Rosemeier, R. G.; Mayo, W. E.; Becla, P.
Defect morphology and distribution up to depths of 20 microns have been shown to be critical to device performance in microelectronic applications. A unique and novel X-ray diffraction method called DARC (digital automated rocking curve) topography has been effectively utilized to map crystalline microlattice strains in various substrates and epitaxial films. The spatial resolution of this technique is in the the order of 100 microns and the analysis time for a 2 sq cm area is about 10 secs. DARC topography incorporates state-of-the-art one-dimensional and two-dimensional X-ray detectors to modify a conventional double crystal diffractometer to obtain color X-ray rocking curve topographs. This technique, being nondestructive and nonintrusive in nature, is an invaluable tool in materials' quality control for IR detector fabrication. The DARC topographs clearly delineate areas of micro-plastic strain inhomogeniety. Materials analyzed using this technique include HgMnTe, HgCdTe, BaF2, PbSe, PbS both substrates and epitaxial films.
A mathematical model of collagen lattice contraction
Dallon, J. C.; Evans, E. J.; Ehrlich, H. Paul
2014-01-01
Two mathematical models for fibroblast–collagen interaction are proposed which reproduce qualitative features of fibroblast-populated collagen lattice contraction. Both models are force based and model the cells as individual entities with discrete attachment sites; however, the collagen lattice is modelled differently in each model. In the collagen lattice model, the lattice is more interconnected and formed by triangulating nodes to form the fibrous structure. In the collagen fibre model, the nodes are not triangulated, are less interconnected, and the collagen fibres are modelled as a string of nodes. Both models suggest that the overall increase in stress of the lattice as it contracts is not the cause of the reduced rate of contraction, but that the reduced rate of contraction is due to inactivation of the fibroblasts. PMID:25142520
Modeling dynamical geometry with lattice gas automata
Hasslacher, B.; Meyer, D.A.
1998-06-27
Conventional lattice gas automata consist of particles moving discretely on a fixed lattice. While such models have been quite successful for a variety of fluid flow problems, there are other systems, e.g., flow in a flexible membrane or chemical self-assembly, in which the geometry is dynamical and coupled to the particle flow. Systems of this type seem to call for lattice gas models with dynamical geometry. The authors construct such a model on one dimensional (periodic) lattices and describe some simulations illustrating its nonequilibrium dynamics.
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.
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.
Modeling shocks in periodic lattice materials
NASA Astrophysics Data System (ADS)
Messner, Mark; Barham, Matthew; Barton, Nathan
2015-06-01
Periodic lattice materials have an excellent density-to-stiffness ratio, with the elastic stiffness of stretch dominated lattices scaling linearly with relative density. Recent developments in additive manufacturing techniques enable the use of lattice materials in situations where the response of the material to shock loading may become significant. Current continuum models do not describe the response of such lattice materials subject to shocks. This presentation details the development of continuum models suitable for representing shock propagation in periodic lattice materials, particularly focusing on the transition between elastic and plastic response. In the elastic regime, the material retains its periodic structure and equivalent continuum models of infinite, periodic truss structures accurately reproduce characteristics of stretch-dominated lattices. At higher velocities, the material tends to lose its initial lattice structure and begins to resemble a foam or a solid with dispersed voids. Capturing the transition between these regimes can be computationally challenging. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Building the RHIC tracking lattice model
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.
Renormalization of stochastic lattice models: basic formulation.
Haselwandter, Christoph A; Vvedensky, Dimitri D
2007-10-01
We describe a general method for the multiscale analysis of stochastic lattice models. Beginning with a lattice Langevin formulation of site fluctuations, we derive stochastic partial differential equations by regularizing the transition rules of the model. Subsequent coarse graining is accomplished by calculating renormalization-group (RG) trajectories from initial conditions determined by the regularized atomistic models. The RG trajectories correspond to hierarchies of continuum equations describing lattice models over expanding length and time scales. These continuum equations retain a quantitative connection over different scales, as well as to the underlying atomistic dynamics. This provides a systematic method for the derivation of continuum equations from the transition rules of lattice models for any length and time scales. As an illustration we consider the one-dimensional (1D) Wolf-Villain (WV) model [Europhys. Lett. 13, 389 (1990)]. The RG analysis of this model, which we develop in detail, is generic and can be applied to a wide range of conservative lattice models. The RG trajectory of the 1D WV model shows a complex crossover sequence of linear and nonlinear stochastic differential equations, which is in excellent agreement with kinetic Monte Carlo simulations of this model. We conclude by discussing possible applications of the multiscale method described here to other nonequilibrium systems. PMID:17994944
Entropic lattice Boltzmann model for compressible flows.
Frapolli, N; Chikatamarla, S S; Karlin, I V
2015-12-01
We present a lattice Boltzmann model (LBM) that covers the entire range of fluid flows, from low Mach weakly compressible to transonic and supersonic flows. One of the most restrictive limitations of the lattice Boltzmann method, the low Mach number limit, is overcome here by three fundamental changes to the LBM scheme: use of an appropriately chosen multispeed lattice, accurate evaluation of the equilibrium, and the entropic relaxation for the collision. The range of applications is demonstrated through the simulation of a bow shock in front of an airfoil and the simulation of decaying compressible turbulence with shocklets. PMID:26764625
Entropic lattice Boltzmann model for compressible flows
NASA Astrophysics Data System (ADS)
Frapolli, N.; Chikatamarla, S. S.; Karlin, I. V.
2015-12-01
We present a lattice Boltzmann model (LBM) that covers the entire range of fluid flows, from low Mach weakly compressible to transonic and supersonic flows. One of the most restrictive limitations of the lattice Boltzmann method, the low Mach number limit, is overcome here by three fundamental changes to the LBM scheme: use of an appropriately chosen multispeed lattice, accurate evaluation of the equilibrium, and the entropic relaxation for the collision. The range of applications is demonstrated through the simulation of a bow shock in front of an airfoil and the simulation of decaying compressible turbulence with shocklets.
Application of model search to lattice theory.
Rose, M.; Wilkinson, K.; Mathematics and Computer Science
2001-08-01
We have used the first-order model-searching programs MACE and SEM to study various problems in lattice theory. First, we present a case study in which the two programs are used to examine the differences between the stages along the way from lattice theory to Boolean algebra. Second, we answer several questions posed by Norman Megill and Mladen Pavicic on ortholattices and orthomodular lattices. The questions from Megill and Pavicic arose in their study of quantum logics, which are being investigated in connection with proposed computing devices based on quantum mechanics. Previous questions of a similar nature were answered by McCune and MACE in [2].
Lattice Boltzmann model for compressible fluids
NASA Technical Reports Server (NTRS)
Alexander, F. J.; Chen, H.; Chen, S.; Doolen, G. D.
1992-01-01
A lattice Boltzmann model is derived which simulates compressible fluids. By choosing the parameters of the equilibrium distribution appropriately, the sound speed (which may be set arbitrarily low), bulk viscosity, and kinematic viscosity can be selected. This model simulates compressible flows and can include shocks. With a proper rescaling and zero-sound speed, this model simulates Burgers's equation. The viscosity determined by a Chapman-Enskog expansion compares well with that measured form simulations. The exact solutions of Burgers's equation on the unit circle are compared to solutions of lattice Boltzmann model finding reasonable agreement.
Lattice Gas Model with Nonlocal Interactions
NASA Astrophysics Data System (ADS)
Das, Shankar P.
We analyze the nature of the hydrodynamic modes in a Lattice Gas Automata (LGA) model defined on a hexagonal lattice and having nonlocal interactions of attractive and repulsive type simultaneously. The model is similar in spirit to the liquid gas model of Appert and Zaleski [Phys. Rev. Lett. 64, 1 (1990)]. The phase diagram for the model is computed using the kinetic pressure. The dynamics is studied with a mean field type approach in the Boltzmann approximation ignoring effects of correlated collisions. We compute the transport coefficients and the speed of sound propagation. The presence of attractive interactions show increase in the transport coefficients at intermediate densities.
A continuum model for interconnected lattice trusses
NASA Technical Reports Server (NTRS)
Balakrishnan, A. V.
1992-01-01
A continuum model for interconnected lattice trusses based on the 1D Timoshenko beam approximation is developed using the NASA-LRC Phase Zero Evolutionary Model. The continuum model dynamics is presented in the canonical wave-equation form in a Hilbert space.
Irregular lattice model for quasistatic crack propagation
NASA Astrophysics Data System (ADS)
Bolander, J. E.; Sukumar, N.
2005-03-01
An irregular lattice model is proposed for simulating quasistatic fracture in softening materials. Lattice elements are defined on the edges of a Delaunay tessellation of the medium. The dual (Voronoi) tessellation is used to scale the elemental stiffness terms in a manner that renders the lattice elastically homogeneous. This property enables the accurate modeling of heterogeneity, as demonstrated through the elastic stress analyses of fiber composites. A cohesive description of fracture is used to model crack initiation and propagation. Numerical simulations, which demonstrate energy-conserving and grid-insensitive descriptions of cracking, are presented. The model provides a framework for the failure analysis of quasibrittle materials and fiber-reinforced brittle-matrix composites.
From deterministic cellular automata to coupled map lattices
NASA Astrophysics Data System (ADS)
García-Morales, Vladimir
2016-07-01
A general mathematical method is presented for the systematic construction of coupled map lattices (CMLs) out of deterministic cellular automata (CAs). The entire CA rule space is addressed by means of a universal map for CAs that we have recently derived and that is not dependent on any freely adjustable parameters. The CMLs thus constructed are termed real-valued deterministic cellular automata (RDCA) and encompass all deterministic CAs in rule space in the asymptotic limit κ \\to 0 of a continuous parameter κ. Thus, RDCAs generalize CAs in such a way that they constitute CMLs when κ is finite and nonvanishing. In the limit κ \\to ∞ all RDCAs are shown to exhibit a global homogeneous fixed-point that attracts all initial conditions. A new bifurcation is discovered for RDCAs and its location is exactly determined from the linear stability analysis of the global quiescent state. In this bifurcation, fuzziness gradually begins to intrude in a purely deterministic CA-like dynamics. The mathematical method presented allows to get insight in some highly nontrivial behavior found after the bifurcation.
Modeling quasi-lattice with octagonal symmetry
Girzhon, V. V.; Smolyakov, O. V.; Zakharenko, M. I.
2014-11-15
We prove the possibility to use the method of modeling of a quasi-lattice with octagonal symmetry similar to that proposed earlier for the decagonal quasicrystal. The method is based on the multiplication of the groups of basis sites according to specified rules. This model is shown to be equivalent to the method of the periodic lattice projection, but is simpler because it considers merely two-dimensional site groups. The application of the proposed modeling procedure to the reciprocal lattice of octagonal quasicrystals shows a fairly good matching with the electron diffraction pattern. Similarly to the decagonal quasicrystals, the possibility of three-index labeling of the diffraction reflections is exhibited in this case. Moreover, the ascertained ratio of indices provides information on the intensity of diffraction reflections.
The Abelian Higgs model on Optical Lattice?
NASA Astrophysics Data System (ADS)
Meurice, Yannick; Tsai, Shan-Wen; Bazavov, Alexei; Zhang, Jin
2015-03-01
We study the Lattice Gauge Theory of the U(1)-Higgs model in 1+1 dimensions in the strongly coupled regime. We discuss the plaquette corrections to the effective theory where link variables are integrated out. We discuss matching with the second-order perturbation theory effective Hamiltonian for various Bose-Hubbard models. This correspondence can be exploited for building a lattice gauge theory simulator on optical lattices. We propose to implement the quantum rotors which appear in the Hamiltonian formulation using Bose mixtures or p-orbitals. Recent progress on magnetic effects in 2+1 dimensions will be discussed. Supported by the Army Research Office of the Department of Defense under Award Number W911NF-13-1-0119.
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.
Lattice Boltzmann model for numerical relativity.
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. PMID:26986435
A Lattice Model for Influenza Spreading
Liccardo, Antonella; Fierro, Annalisa
2013-01-01
We construct a stochastic SIR model for influenza spreading on a D-dimensional lattice, which represents the dynamic contact network of individuals. An age distributed population is placed on the lattice and moves on it. The displacement from a site to a nearest neighbor empty site, allows individuals to change the number and identities of their contacts. The dynamics on the lattice is governed by an attractive interaction between individuals belonging to the same age-class. The parameters, which regulate the pattern dynamics, are fixed fitting the data on the age-dependent daily contact numbers, furnished by the Polymod survey. A simple SIR transmission model with a nearest neighbors interaction and some very basic adaptive mobility restrictions complete the model. The model is validated against the age-distributed Italian epidemiological data for the influenza A(H1N1) during the season, with sensible predictions for the epidemiological parameters. For an appropriate topology of the lattice, we find that, whenever the accordance between the contact patterns of the model and the Polymod data is satisfactory, there is a good agreement between the numerical and the experimental epidemiological data. This result shows how rich is the information encoded in the average contact patterns of individuals, with respect to the analysis of the epidemic spreading of an infectious disease. PMID:23717512
A lattice gas model for thermohydrodynamics
Chen, Shiyi; Chen, Hudong; Doolen, G.D.; Gutman, S.; Lee, M.
1990-05-03
The FHP lattice gas model is extended to include a temperature variable in order to study thermohydrodynamics. The compressible Navier-Stokes equations are derived using a Chapman-Enskog expansion. Heat conduction and convention problems are investigated, including Benard convention. It is shown that the usual FHP rescaling procedure can be avoided by controlling the temperature. 20 refs., 12 figs.
Multiple Lattice Model for Influenza Spreading
Liccardo, Antonella; Fierro, Annalisa
2015-01-01
Behavioral differences among age classes, together with the natural tendency of individuals to prefer contacts with individuals of similar age, naturally point to the existence of a community structure in the population network, in which each community can be identified with a different age class. Data on age-dependent contact patterns also reveal how relevant is the role of the population age structure in shaping the spreading of an infectious disease. In the present paper we propose a simple model for epidemic spreading, in which a contact network with an intrinsic community structure is coupled with a simple stochastic SIR model for the epidemic spreading. The population is divided in 4 different age-communities and hosted on a multiple lattice, each community occupying a specific age-lattice. Individuals are allowed to move freely to nearest neighbor empty sites on the age-lattice. Different communities are connected with each other by means of inter-lattices edges, with a different number of external links connecting different age class populations. The parameters of the contact network model are fixed by requiring the simulated data to fully reproduce the contact patterns matrices of the Polymod survey. The paper shows that adopting a topology which better implements the age-class community structure of the population, one gets a better agreement between experimental contact patterns and simulated data, and this also improves the accordance between simulated and experimental data on the epidemic spreading. PMID:26513580
Quiver gauge theories and integrable lattice models
NASA Astrophysics Data System (ADS)
Yagi, Junya
2015-10-01
We discuss connections between certain classes of supersymmetric quiver gauge theories and integrable lattice models from the point of view of topological quantum field theories (TQFTs). The relevant classes include 4d N=1 theories known as brane box and brane tilling models, 3d N=2 and 2d N=(2,2) theories obtained from them by compactification, and 2d N=(0,2) theories closely related to these theories. We argue that their supersymmetric indices carry structures of TQFTs equipped with line operators, and as a consequence, are equal to the partition functions of lattice models. The integrability of these models follows from the existence of extra dimension in the TQFTs, which emerges after the theories are embedded in M-theory. The Yang-Baxter equation expresses the invariance of supersymmetric indices under Seiberg duality and its lower-dimensional analogs.
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.
Extra-dimensional models on the lattice
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
Lattice Boltzmann model for wave propagation.
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. PMID:19792280
Entropic pressure in lattice models for polymers
NASA Astrophysics Data System (ADS)
Hammer, Yosi; Kantor, Yacov
2014-11-01
In lattice models, local pressure on a surface is derived from the change in the free energy of the system due to the exclusion of a certain boundary site, while the total force on the surface can be obtained by a similar exclusion of all surface sites. In these definitions, while the total force on the surface of a lattice system matches the force measured in a continuous system, the local pressure does not. Moreover, in a lattice system, the sum of the local pressures is not equal to the total force as is required in a continuous system. The difference is caused by correlation between occupations of surface sites as well as finite displacement of surface elements used in the definition of the pressures and the force. This problem is particularly acute in the studies of entropic pressure of polymers represented by random or self-avoiding walks on a lattice. We propose a modified expression for the local pressure which satisfies the proper relation between the pressure and the total force, and show that for a single ideal polymer in the presence of scale-invariant boundaries it produces quantitatively correct values for continuous systems. The required correction to the pressure is non-local, i.e., it depends on long range correlations between contact points of the polymer and the surface.
Entropic pressure in lattice models for polymers.
Hammer, Yosi; Kantor, Yacov
2014-11-28
In lattice models, local pressure on a surface is derived from the change in the free energy of the system due to the exclusion of a certain boundary site, while the total force on the surface can be obtained by a similar exclusion of all surface sites. In these definitions, while the total force on the surface of a lattice system matches the force measured in a continuous system, the local pressure does not. Moreover, in a lattice system, the sum of the local pressures is not equal to the total force as is required in a continuous system. The difference is caused by correlation between occupations of surface sites as well as finite displacement of surface elements used in the definition of the pressures and the force. This problem is particularly acute in the studies of entropic pressure of polymers represented by random or self-avoiding walks on a lattice. We propose a modified expression for the local pressure which satisfies the proper relation between the pressure and the total force, and show that for a single ideal polymer in the presence of scale-invariant boundaries it produces quantitatively correct values for continuous systems. The required correction to the pressure is non-local, i.e., it depends on long range correlations between contact points of the polymer and the surface. PMID:25429960
Controlling spatiotemporal chaos in one- and two-dimensional coupled logistic map lattices
Astakhov, V.V.; Anishchenko, V.S.; Strelkova, G.I.; Shabunin, A.V.
1996-06-01
A method of control of spatiotemporal chaos in lattices of coupled maps is proposed in this work. Forms of spatiotemporal perturbations of a system parameter are analytically determined for one- and two-dimensional logistic map lattices with different kinds of coupling to stabilize chosen spatiotemporal states previously unstable. The results are illustrated by numerical simulation. Controlled transition from the regime of spatiotemporal chaos to the previously chosen regular spatiotemporal patterns is demonstrated. {copyright} {ital 1996 American Institute of Physics.}
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.
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.
Monte Carlo simulations of lattice models for single polymer systems
Hsu, Hsiao-Ping
2014-10-28
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N∼O(10{sup 4}). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √(10), we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.
Monte Carlo simulations of lattice models for single polymer systems
NASA Astrophysics Data System (ADS)
Hsu, Hsiao-Ping
2014-10-01
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N ˜ O(10^4). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and sqrt{10}, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior.
Monte Carlo simulations of lattice models for single polymer systems.
Hsu, Hsiao-Ping
2014-10-28
Single linear polymer chains in dilute solutions under good solvent conditions are studied by Monte Carlo simulations with the pruned-enriched Rosenbluth method up to the chain length N~O(10(4)). Based on the standard simple cubic lattice model (SCLM) with fixed bond length and the bond fluctuation model (BFM) with bond lengths in a range between 2 and √10, we investigate the conformations of polymer chains described by self-avoiding walks on the simple cubic lattice, and by random walks and non-reversible random walks in the absence of excluded volume interactions. In addition to flexible chains, we also extend our study to semiflexible chains for different stiffness controlled by a bending potential. The persistence lengths of chains extracted from the orientational correlations are estimated for all cases. We show that chains based on the BFM are more flexible than those based on the SCLM for a fixed bending energy. The microscopic differences between these two lattice models are discussed and the theoretical predictions of scaling laws given in the literature are checked and verified. Our simulations clarify that a different mapping ratio between the coarse-grained models and the atomistically realistic description of polymers is required in a coarse-graining approach due to the different crossovers to the asymptotic behavior. PMID:25362337
Multireflection boundary conditions for lattice Boltzmann models.
Ginzburg, Irina; d'Humières, Dominique
2003-12-01
We present a general framework for several previously introduced boundary conditions for lattice Boltzmann models, such as the bounce-back rule and the linear and quadratic interpolations. The objectives are twofold: first to give theoretical tools to study the existing link-type boundary conditions and their corresponding accuracy; second to design boundary conditions for general flows which are third-order kinetic accurate. Using these new boundary conditions, Couette and Poiseuille flows are exact solutions of the lattice Boltzmann models for a Reynolds number Re=0 (Stokes limit) for arbitrary inclination with the lattice directions. Numerical comparisons are given for Stokes flows in periodic arrays of spheres and cylinders, linear periodic array of cylinders between moving plates, and for Navier-Stokes flows in periodic arrays of cylinders for Re<200. These results show a significant improvement of the overall accuracy when using the linear interpolations instead of the bounce-back reflection (up to an order of magnitude on the hydrodynamics fields). Further improvement is achieved with the new multireflection boundary conditions, reaching a level of accuracy close to the quasianalytical reference solutions, even for rather modest grid resolutions and few points in the narrowest channels. More important, the pressure and velocity fields in the vicinity of the obstacles are much smoother with multireflection than with the other boundary conditions. Finally the good stability of these schemes is highlighted by some simulations of moving obstacles: a cylinder between flat walls and a sphere in a cylinder. PMID:14754343
String-charge duality in integrable lattice models
NASA Astrophysics Data System (ADS)
Ilievski, Enej; Quinn, Eoin; De Nardis, Jacopo; Brockmann, Michael
2016-06-01
We derive an explicit mapping between the spectra of conserved local operators of integrable quantum lattice models and the density distributions of their thermodynamic particle content. This is presented explicitly for the Heisenberg XXZ spin chain. As an application we discuss a quantum quench scenario, in both the gapped and critical regimes. We outline an exact technique which allows for an efficient implementation on periodic matrix product states. In addition, for certain simple product states we obtain analytic closed-form expressions in terms of solutions to Hirota functional relations. Remarkably, no reference to a maximal entropy principle is invoked.
Kinetic Analysis of Protein Folding Lattice Models
NASA Astrophysics Data System (ADS)
Chen, Hu; Zhou, Xin; Liaw, Chih Young; Koh, Chan Ghee
Based on two-dimensional square lattice models of proteins, the relation between folding time and temperature is studied by Monte Carlo simulation. The results can be represented by a kinetic model with three states — random coil, molten globule, and native state. The folding process is composed of nonspecific collapse and final searching for the native state. At high temperature, it is easy to escape from local traps in the folding process. With decreasing temperature, because of the trapping in local traps, the final searching speed decreases. Then the folding shows chevron rollover. Through the analysis of the fitted parameters of the kinetic model, it is found that the main difference between the energy landscapes of the HP model and the Go model is that the number of local minima of the Go model is less than that of the HP model.
Self-similarity of phase-space networks of frustrated spin models and lattice gas models
NASA Astrophysics Data System (ADS)
Peng, Yi; Wang, Feng; Han, Yilong
2013-03-01
We studied the self-similar properties of the phase-spaces of two frustrated spin models and two lattice gas models. The frustrated spin models included (1) the anti-ferromagnetic Ising model on a two-dimensional triangular lattice (1a) at the ground states and (1b) above the ground states and (2) the six-vertex model. The two lattice gas models were (3) the one-dimensional lattice gas model and (4) the two-dimensional lattice gas model. The phase spaces were mapped to networks so that the fractal analysis of complex networks could be applied, i.e. the box-covering method and the cluster-growth method. These phase spaces, in turn, establish new classes of networks with unique self-similar properties. Models 1a, 2, and 3 with long-range power-law correlations in real space exhibit fractal phase spaces, while models 1b and 4 with short-range exponential correlations in real space exhibit nonfractal phase spaces. This behavior agrees with one of untested assumptions in Tsallis nonextensive statistics. Hong Kong GRC grants 601208 and 601911
Low-dimensional supersymmetric lattice models
Bergner, G. Kaestner, T. Uhlmann, S. Wipf, A.
2008-04-15
We study and simulate N=2 supersymmetric Wess-Zumino models in one and two dimensions. For any choice of the lattice derivative, the theories can be made manifestly supersymmetric by adding appropriate improvement terms corresponding to discretizations of surface integrals. In one dimension, our simulations show that a model with the Wilson derivative and the Stratonovich prescription for this discretization leads to far better results at finite lattice spacing than other models with Wilson fermions considered in the literature. In particular, we check that fermionic and bosonic masses coincide and the unbroken Ward identities are fulfilled to high accuracy. Equally good results for the effective masses can be obtained in a model with the SLAC derivative (even without improvement terms). In two dimensions we introduce a non-standard Wilson term in such a way that the discretization errors of the kinetic terms are only of order O(a{sup 2}). Masses extracted from the corresponding manifestly supersymmetric model prove to approach their continuum values much quicker than those from a model containing the standard Wilson term. Again, a comparable enhancement can be achieved in a theory using the SLAC derivative.
NASA Astrophysics Data System (ADS)
Bishop, R. F.; Li, P. H. Y.
2011-04-01
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.
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.
Common features in phase-space networks of frustrated spin models and lattice-gas models
NASA Astrophysics Data System (ADS)
Wang, Feng; Peng, Yi; Han, Yilong
2012-02-01
We mapped the phase spaces of the following four models into networks: (1a) the Ising antiferromagnet on triangular lattice at the ground state and (1b) above the ground state, (2) the six-vertex model (i.e. square ice or spin ice), (3) 1D lattice gas and (4) 2D lattice gas. Their phase-space networks share some common features including the Gaussian degree distribution, the Gaussian spectral density, and the small-world properties. Models 1a, 2 and 3 with long-range correlations in real space exhibit fractal phase spaces, while models 1b and 4 with short-range correlations in real space exhibit non-fractal phase spaces. This result supports one of the untested assumptions in Tsallis's non-extensive statistics.
Image encryption using chaotic coupled map lattices with time-varying delays
NASA Astrophysics Data System (ADS)
Tang, Yang; Wang, Zidong; Fang, Jian-an
2010-09-01
In this paper, a novel image encryption scheme using coupled map lattices (CML) with time delay is proposed. By employing discretized tent map to shuffle the positions of image pixels and then using delayed coupled map lattices (DCML) to confuse the relationship between the plain-image and the cipher-image, image encryption algorithms with permutation-diffusion structure are introduced in detail. In the process of generating keystream, the time-varying delay is also embedded in our proposed scheme to enhance the security. Theoretical analysis and computer experiments confirm that the new algorithm possesses high security for practical image encryption.
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.
Quantum Paramagnet in a π Flux Triangular Lattice Hubbard Model.
Rachel, Stephan; Laubach, Manuel; Reuther, Johannes; Thomale, Ronny
2015-04-24
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 (J_{H},J_{K})=(-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. PMID:25955072
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.
Exact solution of the spin-1/2 Ising model on the Shastry Sutherland (orthogonal-dimer) lattice
NASA Astrophysics Data System (ADS)
Strečka, Jozef
2006-01-01
A star-triangle mapping transformation is used to establish an exact correspondence between the spin-1/2 Ising model on the Shastry Sutherland (orthogonal-dimer) lattice and respectively, the spin-1/2 Ising model on a bathroom tile (4 8) lattice. Exact results for the critical temperature and spontaneous magnetization are obtained and compared with corresponding results on the regular Ising lattices.
Strain pseudospins with power-law interactions: Glassy textures of a cooled coupled-map lattice
NASA Astrophysics Data System (ADS)
Shenoy, S. R.; Lookman, T.
2008-10-01
We consider a spin-1 model of strain pseudospins S(r⃗)=0,±1 that arise from a triple-well Landau free energy for a square/rectangle or “austenite-martensite” structural transformation of a two-dimensional lattice. The pseudospin model has elastic-compatibility-induced power-law anisotropic (PLA) interactions and no quenched disorder. The iteratively solved local mean-field equations for ⟨S(r⃗,t)⟩ form a temperature-dependent PLA-coupled nonlinear-map lattice, where t is the iteration “time.” On cooling at a constant rate, the excess entropy shows a weak roll-off near a temperature T=Tg and a sharper elbow at a lower T∗ , just above a Kauzmann-type TK where the excess entropy would have become negative. The crossover temperatures Tg,T∗ decrease logarithmically with cooling rate and mark stability changes in spatiotemporal attractors of the cooled PLA-coupled map. Three phases in ⟨S(r⃗,t)⟩ are found, with textures of the martensitic-variant domain walls as “inherent structures.” There is a high-temperature (T>Tg) fine scale phase of feathery domain walls and an intermediate temperature (Tg>T>T∗) phase of mazelike domain walls, with both showing square-wave oscillations as predominantly period-two attractors but with minority-frequency subharmonic clusters. Finally, there is a low-temperature freezing (T∗>T) to a static fixed point or period-one attractor of coarse, irregular bidiagonal twins, as in a strain glass. A Haar-wavelet analysis is used to identify the local attractor dynamics. A central result is that dynamically heterogeneous and mobile low-strain droplets act as catalysts, and can form correlated chains or transient “catalytic corrals” to incubate an emerging local texture. The hotspot lifetime vanishes linearly in T-TK , suggesting that TK is a dynamic spinodal limit for generating the “austenitic” catalyst, the disappearance of which drives a trapping into one of many bidiagonal glassy states. The model has
Multi-Species Thermal Lattice Boltzmann Models
NASA Astrophysics Data System (ADS)
Wah, Darren; Vahala, George; Vahala, Linda; Pavlo, Pavol; Carter, Jonathan
1998-11-01
Thermal Lattice Boltzmann models (TLBM) are ideal for simulating nonlinear macroscopic conservation systems because of their inherent parallelizeability (nearly all operations are purely local). The TLBM solves a linear BGK-like kinetic equation so that the standard nonlinear convective terms in the standard fluid codes are now replaced by a simple shift operator (linear advection) at the kinetic level. Here we extend our previous TLBM to handle a two-species system, utilizing the models of Morse (1964),Greene (1973) and Kotelnikov & Montgomery (1997). Each kinetic equation now has 2 BGK-like relaxation terms : the first is due to self-collisions and the other is due to different- species collisions. The relaxation rates used are appropriate for electron-ion collisions. Certain constraints can be imposed on the relaxed distribution functions so that the cross-species momentum and energy evolutions relax at the rate determined from the full nonlinear Boltzmann integral collision operator. Ionization and recombination processes will also be examined. Both hexagonal and octagonal lattices are studied.
Higher Order Thermal Lattice Boltzmann Model
NASA Astrophysics Data System (ADS)
Sorathiya, Shahajhan; Ansumali, Santosh
2013-03-01
Lattice Boltzmann method (LBM) modelling of thermal flows, compressible and micro flows requires an accurate velocity space discretization. The sub optimality of Gauss-Hermite quadrature in this regard is well known. Most of the thermal LBM in the past have suffered from instability due to lack of proper H-theorem and accuracy. Motivated from these issues, the present work develops along the two works and and imposes an eighth higher order moment to get correct thermal physics. We show that this can be done by adding just 6 more velocities to D3Q27 model and obtain a ``multi-speed on lattice thermal LBM'' with 33 velocities in 3D and calO (u4) and calO (T4) accurate fieq with a consistent H-theorem and inherent numerical stability. Simulations for Rayleigh-Bernard as well as velocity and temperature slip in micro flows matches with analytical results. Lid driven cavity set up for grid convergence is studied. Finally, a novel data structure is developed for HPC. The authors express their gratitude for computational resources and financial support provide by Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore, India.
Modeling adsorption with lattice Boltzmann equation.
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
Modeling adsorption with lattice Boltzmann equation
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
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.
Phase transitions in coupled map lattices and in associated probabilistic cellular automata.
Just, Wolfram
2006-10-01
Analytical tools are applied to investigate piecewise linear coupled map lattices in terms of probabilistic cellular automata. The so-called disorder condition of probabilistic cellular automata is closely related with attracting sets in coupled map lattices. The importance of this condition for the suppression of phase transitions is illustrated by spatially one-dimensional systems. Invariant densities and temporal correlations are calculated explicitly. Ising type phase transitions are found for one-dimensional coupled map lattices acting on repelling sets and for a spatially two-dimensional Miller-Huse-like system with stable long time dynamics. Critical exponents are calculated within a finite size scaling approach. The relevance of detailed balance of the resulting probabilistic cellular automaton for the critical behavior is pointed out. PMID:17155155
From the Dynamics of Coupled Map Lattices to the Psychological Arrow of Time
NASA Astrophysics Data System (ADS)
Atmanspacher, Harald; Filk, Thomas; Scheingraber, Herbert
2006-10-01
Stable neuronal assemblies are generally regarded as neural correlates of mental representations. Their temporal sequence corresponds to the experience of a direction of time, sometimes called the psychological time arrow. We show that the stability of particular, biophysically motivated models of neuronal assemblies, called coupled map lattices, is supported by causal interactions among neurons and obstructed by non-causal or anti-causal interactions among neurons. This surprising relation between causality and stability suggests that those neuronal assemblies that are stable due to causal neuronal interactions, and thus correlated with mental representations, generate a psychological time arrow. Yet this impact of causal interactions among neurons on the directed sequence of mental representations does not rule out the possibility of mentally less efficacious non-causal or anti-causal interactions among neurons.
Convergent perturbation theory for lattice models with fermions
NASA Astrophysics Data System (ADS)
Sazonov, V. K.
2016-05-01
The standard perturbation theory in QFT and lattice models leads to the asymptotic expansions. However, an appropriate regularization of the path or lattice integrals allows one to construct convergent series with an infinite radius of the convergence. In the earlier studies, this approach was applied to the purely bosonic systems. Here, using bosonization, we develop the convergent perturbation theory for a toy lattice model with interacting fermionic and bosonic fields.
Extensive ground state entropy in supersymmetric lattice models
Eerten, Hendrik van
2005-12-15
We present the result of calculations of the Witten index for a supersymmetric lattice model on lattices of various type and size. Because the model remains supersymmetric at finite lattice size, the Witten index can be calculated using row-to-row transfer matrices and the calculations are similar to calculations of the partition function at negative activity -1. The Witten index provides a lower bound on the number of ground states. We find strong numerical evidence that the Witten index grows exponentially with the number of sites of the lattice, implying that the model has extensive entropy in the ground state.
Lattice Boltzmann model for resistive relativistic magnetohydrodynamics.
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. PMID:26382548
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.
Lattice Defects in the Kitaev Honeycomb Model.
Brennan, John; Vala, Jiří
2016-05-19
The Kitaev honeycomb lattice system is an important model of topological materials whose phase diagram exhibits both abelian and non-abelian topological phases. The latter, a so-called Ising phase, is related to topological superconductors. Its quasiparticle excitations, which are formed by Majorana fermions attached to vortices, show non-abelian fractional statistics and are known as Ising anyons. We investigate dislocation defects in the Ising phase of the Kitaev honeycomb model. After introducing them to the system, we accordingly generalize our solution of this model to the situation with the defects. The important part of this effort is developing an appropriate Jordan-Wigner fermionization procedure. It is expected that the presence of defects manifests itself by the formation of fermionic zero-energy modes around the defect end points. We numerically confirm this expectation and further investigate properties of these modes. The computational potential of our technique is demonstrated for both diagonalization and dynamical simulations. The latter focuses on the process of fusion of the vortex zero-energy modes with the Majorana fermions attached to the defect. This process simulates fusion of non-abelian Ising anyons. PMID:26886150
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.
MacNab, Ying C
2016-09-20
We present a general coregionalization framework for developing coregionalized multivariate Gaussian conditional autoregressive (cMCAR) models for Bayesian analysis of multivariate lattice data in general and multivariate disease mapping data in particular. This framework is inclusive of cMCARs that facilitate flexible modelling of spatially structured symmetric or asymmetric cross-variable local interactions, allowing a wide range of separable or non-separable covariance structures, and symmetric or asymmetric cross-covariances, to be modelled. We present a brief overview of established univariate Gaussian conditional autoregressive (CAR) models for univariate lattice data and develop coregionalized multivariate extensions. Classes of cMCARs are presented by formulating precision structures. The resulting conditional properties of the multivariate spatial models are established, which cast new light on cMCARs with richly structured covariances and cross-covariances of different spatial ranges. The related methods are illustrated via an in-depth Bayesian analysis of a Minnesota county-level cancer data set. We also bring a new dimension to the traditional enterprize of Bayesian disease mapping: estimating and mapping covariances and cross-covariances of the underlying disease risks. Maps of covariances and cross-covariances bring to light spatial characterizations of the cMCARs and inform on spatial risk associations between areas and diseases. Copyright © 2016 John Wiley & Sons, Ltd. PMID:27091685
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.
Micropolar continuum modelling of bi-dimensional tetrachiral lattices
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
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.
A Lattice Model for Segmental Dynamics of Miscible Polymer Blends
NASA Astrophysics Data System (ADS)
Colby, Ralph H.
2006-03-01
Thermally-driven concentration fluctuations make local regions (at the scale of monomers) have a wide range of local compositions for weakly interacting miscible blends of long chain polymers. These fluctuations remain important hundreds of degrees from the critical temperature because the entropy (and hence free energy) of mixing is small in polymer mixtures. The connected nature of the chain biases the local composition distribution, making the range of effective compositions surrounding a given monomer extend from the self-composition to environments very rich in that type of monomer. These two polymer physics issues make blends of polymers vastly more interesting than mixtures of small molecules. Time-temperature superposition can fail and motions can persist far below the glass transition temperature of the blend; both of these results are enhanced as the glass transition contrast between the two components increases. A simple lattice model is used to describe the segmental dynamics of miscible polymer blends. Concentration fluctuations and chain connectivity effects are calculated at the scale of the Kuhn length, by considering a central monomer to be surrounded, out to the second shell of monomers, by 24 lattice sites. Including the central monomer, fraction 5/25 = 0.2 of the lattice sites are part of the central monomer's chain (the self-composition) and the other 20 sites are occupied stochastically, while preserving connectivity of all chains. The resulting concentration distributions are mapped onto segmental relaxation time distributions for each blend component using the composition dependence of the glass transition and dynamic scaling. The predicted distributions are compared with experimental dielectric data on miscible polymer blends using three methods: (1) A Debye (single exponential) relaxation of each composition predicts dielectric loss peaks for each blend component which are too narrow because the lattice model ignores density fluctuations
Bevers, M; Flather, C H
1999-02-01
We examine habitat size, shape, and arrangement effects on populations using a discrete reaction-diffusion model. Diffusion is modeled passively and applied to a cellular grid of territories forming a coupled map lattice. Dispersal mortality is proportional to the amount of nonhabitat and fully occupied habitat surrounding a given cell, with distance decay. After verifying that our model produces the results expected for single patches of uniform habitat, we investigate heterogeneous and fragmented model landscapes. In heterogeneous single-patch systems near critical patch size, populations approach Gaussian spatial distributions with total population constrained by the capacity of the most limiting cell. In fragmented habitat landscapes, threshold effects are more complex and parametrically sensitive. The results from our experiments suggest the following: the ability to achieve persistence in hyperdispersed patchy habitats by adding similarly fragmented patches requires meeting threshold reproduction rates; persistent metapopulations in which no local population is individually persistent appear when dispersal distances and reproduction rates are both high, but only within narrow parameter ranges that are close to extinction thresholds; successful use of stepping-stone patches to support metapopulation systems appears unlikely for passively diffusing species; elongated patches offer early colonization advantages, but blocky patches offer greater population resilience near extinction thresholds. A common theme running through our findings is that population viability estimates may depend on our ability to determine when population and habitat systems are approaching extinction threshold conditions. PMID:9925809
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.
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.
Hamiltonian approach to the lattice massive Schwinger model
Sidorov, A.V.; Zastavenko, L.G.
1996-08-01
The authors consider the limit e{sup 2}/m{sup 2} {much_lt} 1 of the lattice massive Schwinger model, i.e., the lattice massive QED in two space-time dimensions, up to lowest order in the effective coupling constant e{sup 2}/m{sup 2}. Here, m is the fermion mass parameter and e is the electron charge. They compare their lattice QED model with the analogous continuous space and lattice space models, (CSM and LSM), which do not take account of the zero momentum mode, z.m.m., of the vector potential. The difference is that (due to extra z.m.m. degree of freedom) to every eigenstate of the CSM and LSM there corresponds a family of eigenstates of the authors lattice QED with the parameter {lambda}. They restrict their consideration to small values of the parameter {lambda}. Then, the energies of the particle states of their lattice QED and LSM do coincide (in their approximation). In the infinite periodicity length limit the Hamiltonian of the authors lattice QED (as well as the Hamiltonian of the LSM) possesses two different Hilbert spaces of eigenfunctions. Thus, in this limit the authors lattice QED model (as well as LSM) describes something like two connected, but different, worlds.
Exploring unconventional Hubbard models with doubly modulated lattice gases.
Greschner, Sebastian; Santos, Luis; Poletti, Dario
2014-10-31
Recent experiments show that periodic modulations of cold atoms in optical lattices may be used to engineer and explore interesting models. We show that double modulation combining lattice shaking and modulated interactions allows for the engineering of a much broader class of lattice with correlated hopping, which we study for the particular case of one-dimensional systems. We show, in particular, that by using this double modulation it is possible to study Hubbard models with asymmetric hopping, which, contrary to the standard Hubbard model, present insulating phases with both parity and string order. Moreover, double modulation allows for the simulation of lattice models in unconventional parameter regimes, as we illustrate for the case of the spin-1/2 Fermi-Hubbard model with correlated hopping, a relevant model for cuprate superconductors. PMID:25396367
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…
Beyond the Standard Model Physics with Lattice Simulations
NASA Astrophysics Data System (ADS)
Rinaldi, Enrico
2016-03-01
Lattice simulations of gauge theories are a powerful tool to investigate strongly interacting systems like Quantum ChromoDynamics (QCD). In recent years, the expertise gathered from lattice QCD studies has been used to explore new extensions of the Standard Model of particle physics that include strong dynamics. This change of gear in lattice field theories is related to the growing experimental search for new physics, from accelerator facilites like the Large Hadron Collider (LHC) to dark matter detectors like LUX or ADMX. In my presentation I will explore different plausible scenarios for physics beyond the standard model where strong dynamics play a dominant role and can be tackled by numerical lattice simulations. The importance of lattice field theories is highlighted in the context of dark matter searches and the search for new resonances at the LHC. Acknowledge the support of the DOE under Contract DE-AC52-07NA27344 (LLNL).
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.
Dependence of Initial Value on Pattern Formation for a Logistic Coupled Map Lattice
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
Finite-lattice form factors in free-fermion models
NASA Astrophysics Data System (ADS)
Iorgov, N.; Lisovyy, O.
2011-04-01
We consider the general {Z}_2 -symmetric free-fermion model on the finite periodic lattice, which includes as special cases the Ising model on the square and triangular lattices and the {Z}_n -symmetric BBS τ(2)-model with n = 2. Translating Kaufman's fermionic approach to diagonalization of Ising-like transfer matrices into the language of Grassmann integrals, we determine the transfer matrix eigenvectors and observe that they coincide with the eigenvectors of a square lattice Ising transfer matrix. This allows us to find exact finite-lattice form factors of spin operators for the statistical model and the associated finite-length quantum chains, of which the most general is equivalent to the XY chain in a transverse field.
Critical behavior of the Widom--Rowlinson lattice model
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.
Modeling of urban traffic networks with lattice Boltzmann model
NASA Astrophysics Data System (ADS)
Meng, Jian-ping; Qian, Yue-hong; Dai, Shi-qiang
2008-02-01
It is of great importance to uncover the characteristics of traffic networks. However, there have been few researches concerning kinetics models for urban traffic networks. In this work, a lattice Boltzmann model (LBM) for urban traffic networks is proposed by incorporating the ideas of the Biham-Middleton-Levine (BML) model into the LBM for road traffic. In the present model, situations at intersections with the red and green traffic signals are treated as a kind of boundary conditions varying with time. Thus, the urban traffic network could be described in the mesoscopic level. By performing numerical simulations under the periodic boundary conditions, the behavior of average velocity is investigated in detail. The numerical results agree quite well with those given by the Chowdhury-Schadschneider (ChSch) model (Chowdhury D. and Schadschneider A., Phys. Rev. E, 59 (1999) R1311). Furthermore, the statistical noise is reduced in this discrete kinetics model, thus, the present model has considerably high computational efficiency.
Lattice models of glasses and Potts models for community detection
NASA Astrophysics Data System (ADS)
Darst, Richard K.
In Part I, we construct a configurationally constrained lattice glass model following the example of Biroli and Mézard (Phys. Rev. Lett., 82, 025501 (2001)), which we denote t154. By examining the relaxation, atomic motion, Stokes-Einstein relationship violation, time-dependent displacement (van Hove function), wavevector-dependent relaxation, and multi-point correlations S4 and χ4 , we can show that this new model satisfies all minimal requirements set by the observed phenomena of dynamical heterogeneity of supercooled liquids, though with a drastically different theoretical basis from existing lattice models of glasses based on kinetic facilitation. We then proceed to perform a more detailed comparison between lattice glass models, including t154 and a model by Ciamarra et. al. (Phys. Rev. E 68 066111 (2003)), with traditional facilitated models. We study two forms of dynamical sensitivity: sensitivity to boundary conditions, and a sensitivity to initial conditions. By comparison to atomistic computer simulation, we find evidence that the lattice glass models better describe glassy behavior. We conclude by discussing the implications of our findings for contrasting theories of the glass transition. In Part II, we change our focus and examine community detection in graphs from a theoretical standpoint. Many disparate community definitions have been proposed, however except for one, few have been analyzed in any great detail. In this work, we, for the first time, formally study a definition based on internal edge density. Using the concept that internal edge density is the fraction of intra-community edges relative to the maximal number of intra-community edges, we produce a rich framework to use as the basis of community detection. We discuss its use in local and global community detection algorithms, and how our methods can extend to overlapping and hierarchical communities, and weighted, directed, and multi-graphs. In order to validate our definition, we use
Spatiotemporal dynamics of a digital phase-locked loop based coupled map lattice system
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.
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.
A three dimensional lattice model for thermal compressible flow on standard lattices
NASA Astrophysics Data System (ADS)
Feng, Yongliang; Sagaut, Pierre; Tao, Wenquan
2015-12-01
A three-dimensional double distribution function thermal lattice Boltzmann model has been developed for simulation of thermal compressible flows in the low Mach number limit. Both the flow field and energy conservation equation are solved by LB approach. A higher order density distribution function on standard lattices is used to solve the flow field, while an energy distribution function is employed to compute the temperature field. The equation of state of thermal perfect gas is recovered by higher order Hermite polynomial expansions in Navier-Stokes-Fourier equations. The equilibrium distribution functions of D3Q15, D3Q19 and D3Q27 lattices are obtained from the Hermite expansion. They exhibit slight differences originating in differences in the discrete lattice symmetries. The correction terms in LB models for third order derivation are added using an external force in orthogonal polynomials form. Present models are successfully assessed considering several test cases, namely the thermal Couette flow, Rayleigh-Bénard convection, natural convection in square cavity and a spherical explosion in a 3D enclosed box. The numerical results are in good agreement with both analytical solution and results given by previous authors.
Magnetization of the Ising model on the generalized checkerboard lattice
NASA Astrophysics Data System (ADS)
Lin, K. Y.; Wu, F. Y.
1988-08-01
We consider the Ising model on the generalized checkerboard lattice. Using a recent result by Baxter and Choy, we derive exact expressions for the magnetization of nodal spins at two values of the magnetic field, H=0 and H=i1/2 πkT. Our results are given in terms of Boltzmann weights of a unit cell of the checkerboard lattice without specifying its cell structures.
Lattice Strain Mapping of Platinum Nanoparticles on Carbon and SnO2 Supports
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
Lattice Strain Mapping of Platinum Nanoparticles on Carbon and SnO2 Supports
NASA Astrophysics Data System (ADS)
Daio, Takeshi; Staykov, Aleksandar; Guo, Limin; Liu, Jianfeng; Tanaka, Masaki; Matthew Lyth, Stephen; Sasaki, Kazunari
2015-08-01
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.
Lattice Strain Mapping of Platinum Nanoparticles on Carbon and SnO2 Supports.
Daio, Takeshi; Staykov, Aleksandar; Guo, Limin; Liu, Jianfeng; Tanaka, Masaki; Lyth, Stephen Matthew; 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
Lattice Boltzmann Model for Electronic Structure Simulations
NASA Astrophysics Data System (ADS)
Mendoza, M.; Herrmann, H. J.; Succi, S.
2015-09-01
Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.
Strong coupling theory for interacting lattice models
NASA Astrophysics Data System (ADS)
Stanescu, Tudor D.; Kotliar, Gabriel
2004-11-01
We develop a strong coupling approach for a general lattice problem. We argue that this strong coupling perspective represents the natural framework for a generalization of the dynamical mean field theory (DMFT). The main result of this analysis is twofold: (1) It provides the tools for a unified treatment of any nonlocal contribution to the Hamiltonian. Within our scheme, nonlocal terms such as hopping terms, spin-spin interactions, or nonlocal Coulomb interactions are treated on equal footing. (2) By performing a detailed strong-coupling analysis of a generalized lattice problem, we establish the basis for possible clean and systematic extensions beyond DMFT. To this end, we study the problem using three different perspectives. First, we develop a generalized expansion around the atomic limit in terms of the coupling constants for the nonlocal contributions to the Hamiltonian. By analyzing the diagrammatics associated with this expansion, we establish the equations for a generalized dynamical mean-field theory. Second, we formulate the theory in terms of a generalized strong coupling version of the Baym-Kadanoff functional. Third, following Pairault, Sénéchal, and Tremblay [Phys. Rev. Lett. 80, 5389 (1998)], we present our scheme in the language of a perturbation theory for canonical fermionic and bosonic fields and we establish the interpretation of various strong coupling quantities within a standard perturbative picture.
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.
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.
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.
NASA Astrophysics Data System (ADS)
Biciuşcă, Tonino; Horga, Adrian; Sofonea, Victor
2015-10-01
We use a two-dimensional Lattice Boltzmann model to investigate the liquid-vapour phase separation in an isothermal van der Waals fluid. The model is based on the expansion of the distribution function up to the third order in terms of Hermite polynomials. In two dimensions, this model is an off-lattice one and has 16 velocities. The Corner Transport Upwind Scheme is used to evolve the corresponding distribution functions on a square lattice. The resulting code allows one to follow the liquid-vapour phase separation on lattices up to 4096 × 4096 nodes using a Tesla M2090 Graphics Processing Unit.
Lennard-Jones and lattice models of driven fluids.
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. PMID:16196640
Absorption in dipole-lattice models of dielectrics
NASA Astrophysics Data System (ADS)
Churchill, R. J.; Philbin, T. G.
2016-05-01
We develop a classical microscopic model of a dielectric. The model features nonlinear interaction terms between polarizable dipoles and lattice vibrations. The lattice vibrations are found to act as a pseudoreservoir, giving broadband absorption of electromagnetic radiation without the addition of damping terms in the dynamics. The effective permittivity is calculated using a perturbative iteration method and is found to have the form associated with real dielectrics. Spatial dispersion is naturally included in the model and we also calculate the wave vector dependence of the permittivity.
Spatiotemporal structure of Lyapunov vectors in chaotic coupled-map lattices
NASA Astrophysics Data System (ADS)
Szendro, Ivan G.; Pazó, Diego; Rodríguez, Miguel A.; López, Juan M.
2007-08-01
The spatiotemporal dynamics of Lyapunov vectors (LVs) in spatially extended chaotic systems is studied by means of coupled-map lattices. We determine intrinsic length scales and spatiotemporal correlations of LVs corresponding to the leading unstable directions by translating the problem to the language of scale-invariant growing surfaces. We find that the so-called characteristic LVs exhibit spatial localization, strong clustering around given spatiotemporal loci, and remarkable dynamic scaling properties of the corresponding surfaces. In contrast, the commonly used backward LVs (obtained through Gram-Schmidt orthogonalization) spread all over the system and do not exhibit dynamic scaling due to artifacts in the dynamical correlations by construction.
Simulation of Wave Motion Using a Lattice Gas Model
NASA Astrophysics Data System (ADS)
Buick, J.; Easson, W.; Greated, C.
1996-02-01
The lattice gas model for simulating two-phase flow, proposed by Appert and Zaleski, has been modified by the introduction of gravitational interactions and the new model has been used to simulate standing wave patterns on the free surface of a fluid. The results compare well with linear theory.
Bosonic Integer Quantum Hall Effect in an Interacting Lattice Model
NASA Astrophysics Data System (ADS)
He, Yin-Chen; Bhattacharjee, Subhro; Moessner, R.; Pollmann, Frank
2015-09-01
We study a bosonic model with correlated hopping on a honeycomb lattice, and show that its ground state is a bosonic integer quantum Hall (BIQH) phase, a prominent example of a symmetry-protected topological (SPT) phase. By using the infinite density matrix renormalization group method, we establish the existence of the BIQH phase by providing clear numerical evidence: (i) a quantized Hall conductance with |σx y|=2 , (ii) two counterpropagating gapless edge modes. Our simple model is an example of a novel class of systems that can stabilize SPT phases protected by a continuous symmetry on lattices and opens up new possibilities for the experimental realization of these exotic phases.
Lattice model for biaxial and uniaxial nematic liquid crystals
NASA Astrophysics Data System (ADS)
Sauerwein, Ricardo A.; de Oliveira, Mário J.
2016-05-01
We use a lattice gas model to describe the phase transitions in nematic liquid crystals. The phase diagram displays, in addition to the isotropic phase, the two uniaxial nematics, the rod-like and discotic nematics, and the biaxial nematic. Each site of the lattice has a constituent unit that takes only six orientations and is understood as being a parallelepiped brick with the three axes distinct. The possible orientations of a brick are those in which its axes are parallel to the axes of a Cartesian reference frame. The analysis of the model is performed by the use of a mean-field approximation and a Landau expansion of the free energy.
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.
Phase transition of the Ising model on a fractal lattice.
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. PMID:26871057
Phase transition of the Ising model on a fractal lattice
NASA Astrophysics Data System (ADS)
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.
Lattice Schwinger model: Confinement, anomalies, chiral fermions, and all that
Melnikov, Kirill; Weinstein, Marvin
2000-11-01
In order to better understand what to expect from numerical CORE computations for two-dimensional massless QED (the Schwinger model) we wish to obtain some analytic control over the approach to the continuum limit for various choices of fermion derivative. To this end we study the Hamiltonian formulation of the lattice Schwinger model (i.e., the theory defined on the spatial lattice with continuous time) in A{sub 0}=0 gauge. We begin with a discussion of the solution of the Hamilton equations of motion in the continuum; we then parallel the derivation of the continuum solution within the lattice framework for a range of fermion derivatives. The equations of motion for the Fourier transform of the lattice charge density operator show explicitly why it is a regulated version of this operator which corresponds to the point-split operator of the continuum theory and the sense in which the regulated lattice operator can be treated as a Bose field. The same formulas explicitly exhibit operators whose matrix elements measure the lack of approach to the continuum physics. We show that both chirality violating Wilson-type and chirality preserving SLAC-type derivatives correctly reproduce the continuum theory and show that there is a clear connection between the strong and weak coupling limits of a theory based upon a generalized SLAC-type derivative.
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
Jose, Davis; Weitzel, Steven E; Baase, Walter A; Michael, Miya M; von Hippel, Peter H
2015-10-30
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
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.
Second-order kinetic Kohn-Sham lattice model
NASA Astrophysics Data System (ADS)
Solórzano, S.; Mendoza, M.; Herrmann, H. J.
2016-06-01
In this work, we introduce a semi-implicit second-order correction scheme to the kinetic Kohn-Sham lattice model. This approach is validated by performing realistic exchange-correlation energy calculations of atoms and dimers of the first two rows of the Periodic Table, finding good agreement with the expected values. Additionally, we simulate the ethane molecule, where we recover the bond lengths and compare the results with standard methods. Finally, we discuss the current applicability of pseudopotentials within the lattice kinetic Kohn-Sham approach.
The control method for the lattice hydrodynamic model
NASA Astrophysics Data System (ADS)
Ge, Hong-Xia; Cui, Yu; Zhu, Ke-Qiang; Cheng, Rong-Jun
2015-05-01
The delayed-feedback control method is applied for lattice hydrodynamic model of traffic flow. The linear stability condition with and without control signal are derived through linear and nonlinear analysis. Numerical simulation is carried out and the results confirm that the traffic congested can be suppressed efficiently by considering the control signal.
Recent progress in solving A-D-E lattice models
NASA Astrophysics Data System (ADS)
Pearce, Paul A.
1994-04-01
There are many families of solvable A-D-E lattice models exhibiting order-disorder transitions. These represent many different universality classes of critical behaviour. Some A-D-E models can be solved off-criticality but most can only be solved at criticality. Here we review the methods being developed to solve these models to gain a detailed understanding of their critical behaviour.
±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.
Equivalence of interest rate models and lattice gases
NASA Astrophysics Data System (ADS)
Pirjol, Dan
2012-04-01
We consider the class of short rate interest rate models for which the short rate is proportional to the exponential of a Gaussian Markov process x(t) in the terminal measure r(t)=a(t)exp[x(t)]. These models include the Black-Derman-Toy and Black-Karasinski models in the terminal measure. We show that such interest rate models are equivalent to lattice gases with attractive two-body interaction, V(t1,t2)=-Cov[x(t1),x(t2)]. We consider in some detail the Black-Karasinski model with x(t) as an Ornstein-Uhlenbeck process, and show that it is similar to a lattice gas model considered by Kac and Helfand, with attractive long-range two-body interactions, V(x,y)=-α(e-γ|x-y|-e-γ(x+y)). An explicit solution for the model is given as a sum over the states of the lattice gas, which is used to show that the model has a phase transition similar to that found previously in the Black-Derman-Toy model in the terminal measure.
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.
Beam Diagnosis and Lattice Modeling of the Fermilab Booster
Huang, Xiaobiao
2005-09-01
A realistic lattice model is a fundamental basis for the operation of a synchrotron. In this study various beam-based measurements, including orbit response matrix (ORM) and BPM turn-by-turn data are used to verify and calibrate the lattice model of the Fermilab Booster. In the ORM study, despite the strong correlation between the gradient parameters of adjacent magnets which prevents a full determination of the model parameters, an equivalent lattice model is obtained by imposing appropriate constraints. The fitted gradient errors of the focusing magnets are within the design tolerance and the results point to the orbit offsets in the sextupole field as the source of gradient errors. A new method, the independent component analysis (ICA) is introduced to analyze multiple BPM turn-by-turn data taken simultaneously around a synchrotron. This method makes use of the redundancy of the data and the time correlation of the source signals to isolate various components, such as betatron motion and synchrotron motion, from raw BPM data. By extracting clean coherent betatron motion from noisy data and separates out the betatron normal modes when there is linear coupling, the ICA method provides a convenient means to measure the beta functions and betatron phase advances. It also separates synchrotron motion from the BPM samples for dispersion function measurement. The ICA method has the capability to separate other perturbation signals and is robust over the contamination of bad BPMs. The application of the ICA method to the Booster has enabled the measurement of the linear lattice functions which are used to verify the existing lattice model. The transverse impedance and chromaticity are measured from turn-by-turn data using high precision tune measurements. Synchrotron motion is also observed in the BPM data. The emittance growth of the Booster is also studied by data taken with ion profile monitor (IPM). Sources of emittance growth are examined and an approach to cure
Entropic multirelaxation lattice Boltzmann models for turbulent flows.
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. PMID:26565366
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.
Two-dimensional XXZ -Ising model on a square-hexagon lattice
NASA Astrophysics Data System (ADS)
Valverde, J. S.; Rojas, Onofre; de Souza, S. M.
2009-04-01
We study a two-dimensional XXZ -Ising model on a square-hexagon (denoted for simplicity by 4-6) lattice with spin 1/2. The phase diagram at zero temperature is discussed, where five states are found, two types of ferrimagnetic states, two types of antiferromagnetic states, and one ferromagnetic state. To solve this model, we have mapped onto the eight-vertex model with union Jack interaction term, and it was verified that the model cannot be completely mapped onto eight-vertex model. However, by imposing an exact solution condition, we have found the region where the XXZ -Ising model on 4-6 lattice is exactly soluble with one free parameter, particularly for the case of symmetric eight-vertex model condition. In this manner we have explored the properties of the system and have analyzed the interacting competition parameters which preserve the region where there is an exact solution. Unfortunately the present model does not satisfy the free fermion condition of the eight-vertex model, unless for a trivial solution. Even so, we are able to discuss the critical point region, beyond the region of exact resolvability.
Generalized Gibbs ensemble in integrable lattice models
NASA Astrophysics Data System (ADS)
Vidmar, Lev; Rigol, Marcos
2016-06-01
The generalized Gibbs ensemble (GGE) was introduced ten years ago to describe observables in isolated integrable quantum systems after equilibration. Since then, the GGE has been demonstrated to be a powerful tool to predict the outcome of the relaxation dynamics of few-body observables in a variety of integrable models, a process we call generalized thermalization. This review discusses several fundamental aspects of the GGE and generalized thermalization in integrable systems. In particular, we focus on questions such as: which observables equilibrate to the GGE predictions and who should play the role of the bath; what conserved quantities can be used to construct the GGE; what are the differences between generalized thermalization in noninteracting systems and in interacting systems mappable to noninteracting ones; why is it that the GGE works when traditional ensembles of statistical mechanics fail. Despite a lot of interest in these questions in recent years, no definite answers have been given. We review results for the XX model and for the transverse field Ising model. For the latter model, we also report original results and show that the GGE describes spin–spin correlations over the entire system. This makes apparent that there is no need to trace out a part of the system in real space for equilibration to occur and for the GGE to apply. In the past, a spectral decomposition of the weights of various statistical ensembles revealed that generalized eigenstate thermalization occurs in the XX model (hard-core bosons). Namely, eigenstates of the Hamiltonian with similar distributions of conserved quantities have similar expectation values of few-spin observables. Here we show that generalized eigenstate thermalization also occurs in the transverse field Ising model.
Renormalization of stochastic lattice models: Epitaxial surfaces
NASA Astrophysics Data System (ADS)
Haselwandter, Christoph A.; Vvedensky, Dimitri D.
2008-06-01
We present the application of a method [C. A. Haselwandter and D. D. Vvedensky, Phys. Rev. E 76, 041115 (2007)] for deriving stochastic partial differential equations from atomistic processes to the morphological evolution of epitaxial surfaces driven by the deposition of new material. Although formally identical to the one-dimensional (1D) systems considered previously, our methodology presents substantial additional technical issues when applied to two-dimensional (2D) surfaces. Once these are addressed, subsequent coarse-graining is accomplished as before by calculating renormalization-group (RG) trajectories from initial conditions determined by the regularized atomistic models. Our applications are to the Edwards-Wilkinson (EW) model [S. F. Edwards and D. R. Wilkinson, Proc. R. Soc. London, Ser. A 381, 17 (1982)], the Wolf-Villain (WV) model [D. E. Wolf and J. Villain, Europhys. Lett. 13, 389 (1990)], and a model with concurrent random deposition and surface diffusion. With our rules for the EW model no appreciable crossover is obtained for either 1D or 2D substrates. For the 1D WV model, discussed previously, our analysis reproduces the crossover sequence known from kinetic Monte Carlo (KMC) simulations, but for the 2D WV model, we find a transition from smooth to unstable growth under repeated coarse-graining. Concurrent surface diffusion does not change this behavior, but can lead to extended transient regimes with kinetic roughening. This provides an explanation of recent experiments on Ge(001) with the intriguing conclusion that the same relaxation mechanism responsible for ordered structures during the early stages of growth also produces an instability at longer times that leads to epitaxial breakdown. The RG trajectories calculated for concurrent random deposition and surface diffusion reproduce the crossover sequences observed with KMC simulations for all values of the model parameters, and asymptotically always approach the fixed point corresponding
Renormalization of stochastic lattice models: epitaxial surfaces.
Haselwandter, Christoph A; Vvedensky, Dimitri D
2008-06-01
We present the application of a method [C. A. Haselwandter and D. D. Vvedensky, Phys. Rev. E 76, 041115 (2007)] for deriving stochastic partial differential equations from atomistic processes to the morphological evolution of epitaxial surfaces driven by the deposition of new material. Although formally identical to the one-dimensional (1D) systems considered previously, our methodology presents substantial additional technical issues when applied to two-dimensional (2D) surfaces. Once these are addressed, subsequent coarse-graining is accomplished as before by calculating renormalization-group (RG) trajectories from initial conditions determined by the regularized atomistic models. Our applications are to the Edwards-Wilkinson (EW) model [S. F. Edwards and D. R. Wilkinson, Proc. R. Soc. London, Ser. A 381, 17 (1982)], the Wolf-Villain (WV) model [D. E. Wolf and J. Villain, Europhys. Lett. 13, 389 (1990)], and a model with concurrent random deposition and surface diffusion. With our rules for the EW model no appreciable crossover is obtained for either 1D or 2D substrates. For the 1D WV model, discussed previously, our analysis reproduces the crossover sequence known from kinetic Monte Carlo (KMC) simulations, but for the 2D WV model, we find a transition from smooth to unstable growth under repeated coarse-graining. Concurrent surface diffusion does not change this behavior, but can lead to extended transient regimes with kinetic roughening. This provides an explanation of recent experiments on Ge(001) with the intriguing conclusion that the same relaxation mechanism responsible for ordered structures during the early stages of growth also produces an instability at longer times that leads to epitaxial breakdown. The RG trajectories calculated for concurrent random deposition and surface diffusion reproduce the crossover sequences observed with KMC simulations for all values of the model parameters, and asymptotically always approach the fixed point corresponding
Three-dimensional lattice Boltzmann model for compressible flows.
Sun, Chenghai; Hsu, Andrew T
2003-07-01
A three-dimensional compressible lattice Boltzmann model is formulated on a cubic lattice. A very large particle-velocity set is incorporated in order to enable a greater variation in the mean velocity. Meanwhile, the support set of the equilibrium distribution has only six directions. Therefore, this model can efficiently handle flows over a wide range of Mach numbers and capture shock waves. Due to the simple form of the equilibrium distribution, the fourth-order velocity tensors are not involved in the formulation. Unlike the standard lattice Boltzmann model, no special treatment is required for the homogeneity of fourth-order velocity tensors on square lattices. The Navier-Stokes equations were recovered, using the Chapman-Enskog method from the Bhatnagar-Gross-Krook (BGK) lattice Boltzmann equation. The second-order discretization error of the fluctuation velocity in the macroscopic conservation equation was eliminated by means of a modified collision invariant. The model is suitable for both viscous and inviscid compressible flows with or without shocks. Since the present scheme deals only with the equilibrium distribution that depends only on fluid density, velocity, and internal energy, boundary conditions on curved wall are easily implemented by an extrapolation of macroscopic variables. To verify the scheme for inviscid flows, we have successfully simulated a three-dimensional shock-wave propagation in a box and a normal shock of Mach number 10 over a wedge. As an application to viscous flows, we have simulated a flat plate boundary layer flow, flow over a cylinder, and a transonic flow over a NACA0012 airfoil cascade. PMID:12935242
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.
A continuum of compass spin models on the honeycomb lattice
NASA Astrophysics Data System (ADS)
Zou, Haiyuan; Liu, Bo; Zhao, Erhai; Liu, W. Vincent
2016-05-01
Quantum spin models with spatially dependent interactions, known as compass models, play an important role in the study of frustrated quantum magnetism. One example is the Kitaev model on the honeycomb lattice with spin-liquid (SL) ground states and anyonic excitations. Another example is the geometrically frustrated quantum 120° model on the same lattice whose ground state has not been unambiguously established. To generalize the Kitaev model beyond the exactly solvable limit and connect it with other compass models, we propose a new model, dubbed ‘the tripod model’, which contains a continuum of compass-type models. It smoothly interpolates the Ising model, the Kitaev model, and the quantum 120° model by tuning a single parameter {θ }\\prime , the angle between the three legs of a tripod in the spin space. Hence it not only unifies three paradigmatic spin models, but also enables the study of their quantum phase transitions. We obtain the phase diagram of the tripod model numerically by tensor networks in the thermodynamic limit. We show that the ground state of the quantum 120° model has long-range dimer order. Moreover, we find an extended spin-disordered (SL) phase between the dimer phase and an antiferromagnetic phase. The unification and solution of a continuum of frustrated spin models as outline here may be useful to exploring new domains of other quantum spin or orbital models.
LETTER TO THE EDITOR: Frustration in Ising-type spin models on the pyrochlore lattice
NASA Astrophysics Data System (ADS)
Bramwell, S. T.; Harris, M. J.
1998-04-01
We compare the behaviour of ferromagnetic and antiferromagnetic Ising-type spin models on the cubic pyrochlore lattice. With simple `up - down' Ising spins, the antiferromagnet is highly frustrated and the ferromagnet is not. However, such spin symmetry cannot be realized on the pyrochlore lattice, since it requires a unique symmetry axis, which is incompatible with the cubic symmetry. The only two-state spin symmetry which is compatible is that with four local 0953-8984/10/14/002/img5 anisotropy axes, which direct the spins to point in or out of the tetrahedral plaquettes of the pyrochlore lattice. We show how the local `in - out' magnetic anisotropy reverses the roles of the ferro- and antiferromagnetic exchange couplings with regard to frustration, such that the ferromagnet is highly frustrated and the antiferromagnet is not. The in - out ferromagnet is a magnetic analogue of the ice model, which we have termed the `spin ice model'. It is realized in the material 0953-8984/10/14/002/img6. The up - down antiferromagnet is also an analogue of the ice model, albeit a less direct one, as originally shown by Anderson. Combining these results shows that the up - down spin models map onto the in - out spin models with the opposite sign of the exchange coupling. We present Monte Carlo simulations of the susceptibility for each model, and discuss their relevance to experimental systems.
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.
Thermal expansion of noble metals using improved lattice dynamical model
NASA Astrophysics Data System (ADS)
Kumar, Priyank; Bhatt, N. K.; Vyas, P. R.; Gohel, V. B.
2013-06-01
Isothermal bulk modulus and volume thermal expansion for noble metals have been studied on the basis of improved lattice dynamical model proposed by Pandya et al [Physica B 307, 138-149 (2001)]. The present study shows that for all three noble metals the approach gives satisfactory results, when they are compared with experimental findings. The present study thus confirms the use of improved model to study anharmonic property, and can be extended to study temperature dependent properties in high temperature range.
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.
Three-dimensional lattice Boltzmann model for magnetic reconnection.
Mendoza, M; Muñoz, J D
2008-02-01
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. PMID:18352154
Three-dimensional lattice Boltzmann model for magnetic reconnection
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.
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.
Quark-gluon vertex model and lattice-QCD data
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.
Implementing a topological quantum model using a cavity lattice
NASA Astrophysics Data System (ADS)
Xiang, ZeLiang; Yu, Ting; Zhang, WenXian; Hu, XueDong; You, JianQiang
2012-09-01
Kitaev model has both Abelian and non-Abelian anyonic excitations. It can act as a starting point for topological quantum computation. However, this model Hamiltonian is difficult to implement in natural condensed matter systems. Here we propose a quantum simulation scheme by constructing the Kitaev model Hamiltonian in a lattice of coupled cavities with embedded Λ-type three-level atoms. In this scheme, several parameters are tunable, for example, via external laser fields. Importantly, our scheme is based on currently existing technologies and it provides a feasible way of realizing the Kitaev model to explore topological excitations.
Fully packed loop model on the honeycomb lattice
NASA Astrophysics Data System (ADS)
Blöte, H. W. J.; Nienhuis, B.
1994-02-01
We investigate the O(n) model on the honeycomb lattice, using its loop representation in the limit of full packing. The universal properties, which we calculate by means of finite-size scaling and transfer-matrix techniques, are different from the branches of O(n) critical behavior known thus far. The conformal anomaly of the model varies between -1 and 2 in the interval 0<=n<=2. The universality class of the model is characterized as a superposition of a low-temperature O(n) phase, and a solid-on-solid model at a temperature independent of n.
Polar Coordinate Lattice Boltzmann Kinetic Modeling of Detonation Phenomena
NASA Astrophysics Data System (ADS)
Lin, Chuan-Dong; Xu, Ai-Guo; Zhang, Guang-Cai; Li, Ying-Jun
2014-11-01
A novel polar coordinate lattice Boltzmann kinetic model for detonation phenomena is presented and applied to investigate typical implosion and explosion processes. In this model, the change of discrete distribution function due to local chemical reaction is dynamically coupled into the modified lattice Boltzmann equation which could recover the Navier—Stokes equations, including contribution of chemical reaction, via the Chapman—Enskog expansion. For the numerical investigations, the main focuses are the nonequilibrium behaviors in these processes. The system at the disc center is always in its thermodynamic equilibrium in the highly symmetric case. The internal kinetic energies in different degrees of freedom around the detonation front do not coincide. The dependence of the reaction rate on the pressure, influences of the shock strength and reaction rate on the departure amplitude of the system from its local thermodynamic equilibrium are probed.
Spin foam models for quantum gravity from lattice path integrals
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.
Two-dimensional lattice-fluid model with waterlike anomalies.
Buzano, C; De Stefanis, E; Pelizzola, A; Pretti, M
2004-06-01
We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the "Mercedes Benz" type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed. PMID:15244571
Two-dimensional lattice-fluid model with waterlike anomalies
NASA Astrophysics Data System (ADS)
Buzano, C.; de Stefanis, E.; Pelizzola, A.; Pretti, M.
2004-06-01
We investigate a lattice-fluid model defined on a two-dimensional triangular lattice, with the aim of reproducing qualitatively some anomalous properties of water. Model molecules are of the “Mercedes Benz” type, i.e., they possess a D3 (equilateral triangle) symmetry, with three bonding arms. Bond formation depends both on orientation and local density. We work out phase diagrams, response functions, and stability limits for the liquid phase, making use of a generalized first order approximation on a triangle cluster, whose accuracy is verified, in some cases, by Monte Carlo simulations. The phase diagram displays one ordered (solid) phase which is less dense than the liquid one. At fixed pressure the liquid phase response functions show the typical anomalous behavior observed in liquid water, while, in the supercooled region, a reentrant spinodal is observed.
Stealth Dark Matter: Model, lattice calculations, and constraints
NASA Astrophysics Data System (ADS)
Schaich, David; Lattice Strong Dynamics Collaboration
2016-03-01
A new strongly coupled dark sector can produce a well-motivated and phenomenologically interesting composite dark matter candidate. I will review a model recently proposed by the Lattice Strong Dynamics Collaboration in which the composite dark matter is naturally ``stealthy'': Although its constituents are charged the composite particle itself is electroweak neutral with vanishing magnetic moment and charge radius. This results in an extraordinarily small direct detection cross section dominated by the dimension-7 electromagnetic polarizability interaction. I will present direct detection constraints on the model that rely on our non-perturbative lattice calculations of the polarizability, as well as complementary constraints from collider experiments. Collider bounds require the stealth dark matter mass to be m > 300 GeV, while its cross section for spin-independent scattering with xenon is smaller than the coherent neutrino scattering background for m > 700 GeV.
Superconductivity from spoiling magnetism in the Kondo lattice model
NASA Astrophysics Data System (ADS)
Asadzadeh, Mohammad Zhian; Fabrizio, Michele; Becca, Federico
2014-11-01
We find evidence that superconductivity intrudes into the paramagnetic-to-magnetic transition of the Kondo lattice model if magnetic frustration is added. Specifically, we study by the variational method the model on a square lattice in the presence of both nearest-neighbor (t ) and next-nearest-neighbor (t') hopping of the conduction electrons. We find that, when t'/t >0 , a d -wave superconducting dome emerges between the magnetic and paramagnetic metal phases and close to the compensated regime, i.e., the number of conduction electrons equals the number of localized spin-1/2 moments. Superconductivity is further strengthened by a direct antiferromagnetic exchange, JH, between the localized moments, to such an extent that we observe coexistence with magnetic order.
Lattice model for biaxial and uniaxial nematic liquid crystals.
Sauerwein, Ricardo A; de Oliveira, Mário J
2016-05-21
We use a lattice gas model to describe the phase transitions in nematic liquid crystals. The phase diagram displays, in addition to the isotropic phase, the two uniaxial nematics, the rod-like and discotic nematics, and the biaxial nematic. Each site of the lattice has a constituent unit that takes only six orientations and is understood as being a parallelepiped brick with the three axes distinct. The possible orientations of a brick are those in which its axes are parallel to the axes of a Cartesian reference frame. The analysis of the model is performed by the use of a mean-field approximation and a Landau expansion of the free energy. PMID:27208971
NASA Astrophysics Data System (ADS)
Messer, Michael
Periodically driving a system of ultracold fermionic atoms in an optical lattice allows for implementing a large variety of effective Hamiltonians through Floquet engineering. Using this concept we realize the Haldane model which is a fundamental example of a Hamiltonian exhibiting topologically distinct phases of matter. By loading non-interacting degenerate fermions in a periodically modulated honeycomb lattice we can implement and characterize the topological band structure. We explore the resulting Berry-curvatures of the lowest band and map out topological phase transitions connecting distinct regimes. Such a technique may be extended to also address internal degrees of freedom. By periodically modulating a magnetic field gradient we tune the relative amplitude and sign of the tunneling for different internal states. Thereby we experimentally realize spin-dependent effective Hamiltonians where one state can be pinned to the lattice, while the other remains itinerant. For each spin state, the differing band structure can be characterized either by measuring the expansion of an atomic cloud in the lattice, or by a measurement of the effective mass through dipole oscillations. Furthermore we use the tunability of ultracold atoms to investigate the role of interactions.
Observation of the Meissner effect in a lattice Higgs model
NASA Technical Reports Server (NTRS)
Damgaard, Poul H.; Heller, Urs M.
1988-01-01
The lattice-regularized U(1) Higgs model in an external electromagnetic field is studied by Monte Carlo techniques. In the Coulomb phase, magnetic flux can flow through uniformly. The Higgs phase splits into a region where magnetic flux can penetrate only in the form of vortices and a region where the magnetic flux is completely expelled, the relativistic analog of the Meissner effect in superconductivity. Evidence is presented for symmetry restoration in strong external fields.
The Potts model on a Bethe lattice with nonmagnetic impurities
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.
A heterogeneous lattice gas model for simulating pedestrian evacuation
NASA Astrophysics Data System (ADS)
Guo, Xiwei; Chen, Jianqiao; Zheng, Yaochen; Wei, Junhong
2012-02-01
Based on the cellular automata method (CA model) and the mobile lattice gas model (MLG model), we have developed a heterogeneous lattice gas model for simulating pedestrian evacuation processes in an emergency. A local population density concept is introduced first. The update rule in the new model depends on the local population density and the exit crowded degree factor. The drift D, which is one of the key parameters influencing the evacuation process, is allowed to change according to the local population density of the pedestrians. Interactions including attraction, repulsion, and friction between every two pedestrians and those between a pedestrian and the building wall are described by a nonlinear function of the corresponding distance, and the repulsion forces increase sharply as the distances get small. A critical force of injury is introduced into the model, and its effects on the evacuation process are investigated. The model proposed has heterogeneous features as compared to the MLG model or the basic CA model. Numerical examples show that the model proposed can capture the basic features of pedestrian evacuation, such as clogging and arching phenomena.
VHTR Prismatic Super Lattice Model for Equilibrium Fuel Cycle Analysis
G. S. Chang
2006-09-01
The advanced Very High Temperature gas-cooled Reactor (VHTR), which is currently being developed, achieves simplification of safety through reliance on innovative features and passive systems. One of the VHTRs innovative features is the reliance on ceramic-coated fuel particles to retain the fission products under extreme accident conditions. The effect of the random fuel kernel distribution in the fuel prismatic block is addressed through the use of the Dancoff correction factor in the resonance treatment. However, if the fuel kernels are not perfect black absorbers, 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 Kernel-by-Kernel (K-b-K) hexagonal super lattice model can be used to address and update the burnup dependent Dancoff effect during the EqFC analysis. The developed Prismatic Super Homogeneous Lattice Model (PSHLM) is verified by comparing the calculated burnup characteristics of the double-heterogeneous Prismatic Super Kernel-by-Kernel Lattice Model (PSK-b-KLM). This paper summarizes and compares the PSHLM and PSK-b-KLM burnup analysis study and results. This paper also discusses the coupling of a Monte-Carlo code with fuel depletion and buildup code, which provides the fuel burnup analysis tool used to produce the results of the VHTR EqFC burnup analysis.
Antiferromagnetic majority voter model on square and honeycomb lattices
NASA Astrophysics Data System (ADS)
Sastre, Francisco; Henkel, Malte
2016-02-01
An antiferromagnetic version of the well-known majority voter model on square and honeycomb lattices is proposed. Monte Carlo simulations give evidence for a continuous order-disorder phase transition in the stationary state in both cases. Precise estimates of the critical point are found from the combination of three cumulants, and our results are in good agreement with the reported values of the equivalent ferromagnetic systems. The critical exponents 1 / ν, γ / ν and β / ν were found. Their values indicate that the stationary state of the antiferromagnetic majority voter model belongs to the Ising model universality class.
Phase diagram of the Kondo lattice model on the kagome lattice
NASA Astrophysics Data System (ADS)
Ghosh, Shivam; O'Brien, Patrick; Henley, Christopher L.; Lawler, Michael J.
2016-01-01
We consider the potential for novel forms of magnetism arising from the subtle interplay between electrons and spins in the underscreened kagome Kondo lattice model. At weak coupling, we show that incommensurate noncoplanar multiwave vector magnetic orders arise at nearly all fillings and that this results from Fermi surface effects that introduce competing interactions between the spins. At strong coupling, we find that such a complex order survives near half filling despite the presence of ferromagnetism at all other fillings. We show this arises due to state selection among a massive degeneracy of states at infinite coupling. Finally, we show that at intermediate filling only commensurate orders seem to survive, but these orders still include noncoplanar magnetism. So, the mere presence of both local moments and itinerant electrons enables complex orders to form unlike any currently observed in kagome materials.
Statistical Mechanics of Population --- The Lattice Lotka-Volterra Model ---
NASA Astrophysics Data System (ADS)
Matsuda, H.; Ogita, N.; Sasaki, A.; Sato, K.
1992-12-01
To derive the consequence of heritable traits of individual organisms upon the feature of their populations, the lattice Lotka-Volterra model is studied which is defined as a Markov process of the state of the lattice space. A lattice site is either vacant or occupied by an individual of a certain type or species. Transition rates of the process are given in terms of parameters representing the traits of an individual such as intrinsic birth and death and migration rate of each type. Density is a variable defined as a probability that a site is occupied by a certain type. Under a given state of a site the conditional probability of its nearest neighbor site being occupied by a certain type is termed environs density of the site. Mutual exclusion of individuals is already taken into account by the basic assumption of the lattice model. Other interaction between individuals can be taken into account by assuming that the actual birth and death and migration rates are dependent on the environs densities. Extending the notion of ordinary Malthusian parameters, we define Malthusians as dynamical variables specifying the time development of the densities. Conditions for the positive stationary densities and for the evolutional stability (ES) against the invasion of mutant types is given in terms of Malthusians. Using the pair approximation (PA), a simplest decoupling approximation to take account of spatial correlation, we obtain analytical results for stationary densities, and critical parameters for ES in the case of two types. Assuming that the death rate is dependent on the environs density, we derive conditions for the evolution of altruism. Comparing with computer simulation, we discuss the validity of PA and its improvement.
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.
Thermodynamic-consistent lattice Boltzmann model for nonideal fluids
NASA Astrophysics Data System (ADS)
Wen, Binghai; Qin, Zhangrong; Zhang, Chaoying; Fang, Haiping
2015-11-01
A lattice Boltzmann model to simulate phase separation and two-phase flow is proposed. The nonideal force in multiphase flow is directly computed from the free energy. Thermodynamic consistency and Galilean invariance are theoretically analyzed and numerically verified. Remarkably, the theoretical simplicity endues the model with the advantages of high efficiency and easy implementation. We also find that it can work well together with various equations of state in order to simulate different kinds of multiphase flows. Importantly, it has a tunable parameter κ, which can be used to reduce the effect of spurious current and adjust the surface tension to meet the requirements of researches.
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.
Ionic conductivity in a quantum lattice gas model with three-particle interactions
NASA Astrophysics Data System (ADS)
Barry, J. H.; Muttalib, K. A.; Tanaka, T.
2012-12-01
A system of mesoscopic ions with dominant three-particle interactions is modeled by a quantum lattice liquid on the planar kagomé lattice. The two-parameter Hamiltonian contains localized attractive triplet interactions as potential energy and nearest neighbor hopping-type terms as kinetic energy. The dynamic ionic conductivity σ(ω) is theoretically investigated for ‘weak hopping’ via a quantum many-body perturbation expansion of the thermal (Matsubara) Green function (current-current correlation). A simple analytic continuation and mapping of the thermal Green function provide the temporal Fourier transform of the physical retarded Green function in the Kubo formula. Substituting pertinent exact solutions for static multi-particle correlations known from previous work, Arrhenius relations are revealed in zeroth-order approximation for the dc ionic conductivity σdc along special trajectories in density-temperature space. The Arrhenius plots directly yield static activation energies along the latter loci. Experimental possibilities relating to σdc are discussed in the presence of equilibrium aggregation. This article is part of ‘Lattice models and integrability’, a special issue of Journal of Physics A: Mathematical and Theoretical in honour of F Y Wu's 80th birthday.
Non-standard Hubbard models in optical lattices: a review
NASA Astrophysics Data System (ADS)
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.
Non-standard Hubbard models in optical lattices: a review.
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
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.
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
A continuum of compass spin models on the honeycomb lattice
NASA Astrophysics Data System (ADS)
Zou, Haiyuan; Liu, Bo; Zhao, Erhai; Liu, W. Vincent
2016-05-01
Quantum spin models with spatially dependent interactions, known as compass models, play an important role in the study of frustrated quantum magnetism. One example is the Kitaev model on the honeycomb lattice with spin-liquid ground states. Another example is the geometrically frustrated quantum 120° model whose ground state has not been unambiguously established. To generalize the Kitaev model beyond the exactly solvable limit and connect it with other models, we propose a new model, dubbed ``the tripod model,'' which contains a continuum of compass-type models. It not only unifies paradigmatic spin models, but also enables the study of their quantum phase transitions. We obtain the phase diagram of the tripod model numerically by tensor networks in the thermodynamic limit. We show that the ground state of the quantum 120° model has long-range dimer order. Moreover, we find an extended spin-disordered (spin-liquid) phase between the dimer phase and an antiferromagnetic phase. The unification and solution of a continuum of frustrated spin models as outline here may be useful to exploring new domains of other quantum spin or orbital models.
Complete solution of dynamical system associated with Ashkin-Teller lattice model
NASA Astrophysics Data System (ADS)
Moritz, B.; Schwalm, W.; Schwalm, M.
2001-03-01
Discrete dynamical systems of Cremona maps in n variables are well studied in connection with solvable lattice models, e.g. by Maillard and others in search of symmetries of the Yang-Baxter equations. Here we give an explicit solution to the dynamics of a Cremona map associated with the Ashkin-Teller model. Starting from the matrix of Boltzmann weights w, x, and y, of the Ashkin-Teller model, [ m = [ w & x & y & x ŗx & w & x & y ŗy & x & w & x ŗx & y & x & w ŗ] ] Bellon and Maillard derive a dynamical system for the map I circ J, with I a matrix inversion and J taking the reciprocal of each matrix entry. These recursions admit dilation, and there is an additional conserved quantity, resulting in a complete linearization of the map. We give an explicit solution of this dynamical system for w, x and y as functions of the number n of iterations.
Factors Governing Fibrillogenesis of Polypeptide Chains Revealed by Lattice Models
NASA Astrophysics Data System (ADS)
Li, Mai Suan; Co, Nguyen Truong; Reddy, Govardhan; Hu, Chin-Kun; Straub, J. E.; Thirumalai, D.
2010-11-01
Using lattice models we explore the factors that determine the tendencies of polypeptide chains to aggregate by exhaustively sampling the sequence and conformational space. The morphologies of the fibril-like structures and the time scales (τfib) for their formation depend on a balance between hydrophobic and Coulomb interactions. The extent of population of an ensemble of N* structures, which are fibril-prone structures in the spectrum of conformations of an isolated protein, is the major determinant of τfib. This observation is used to determine the aggregating sequences by exhaustively exploring the sequence space, thus providing a basis for genome wide search of fragments that are aggregation prone.
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.
Lattice model for rapidly folding protein-like heteropolymers.
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
Hubbard operator density functional theory for Fermionic lattice models
NASA Astrophysics Data System (ADS)
Cheng, Zhengqian; Marianetti, Chris
We formulate an effective action as a functional of Hubbard operator densities whose stationary point delivers all local static information of the interacting lattice model. Using the variational principle, we get a self-consistent equation for Hubbard operator densities. The computational cost of our approach is set by diagonalizing the local Fock space. We apply our method to the one and two band Hubbard model (including crystal field and on-site exchange) in infinite dimensions where the exact solution is known. Excellent agreement is obtained for the one-band model. In the two-band model, good agreement is obtained in the metallic region of the phase diagram in addition to the metal-insulator transition. While our approach does not address frequency dependent observables, it has a negligible computational cost as compared to dynamical mean field theory and could be highly applicable in the context total energies of strongly correlated materials and molecules.
Lattice Boltzmann model for a steady radiative transfer equation.
Yi, Hong-Liang; Yao, Feng-Ju; Tan, He-Ping
2016-08-01
A complete lattice Boltzmann model (LBM) is proposed for the steady radiative transfer equation (RTE). The RTE can be regarded as a pure convection equation with a source term. To derive the expressions for the equilibrium distribution function and the relaxation time, an artificial isotropic diffusion term is introduced to form a convection-diffusion equation. When the dimensionless relaxation time has a value of 0.5, the lattice Boltzmann equation (LBE) is exactly applicable to the original steady RTE. We also perform a multiscale analysis based on the Chapman-Enskog expansion to recover the macroscopic RTE from the mesoscopic LBE. The D2Q9 model is used to solve the LBE, and the numerical results obtained by the LBM are comparable to the results obtained by other methods or analytical solutions, which demonstrates that the proposed model is highly accurate and stable in simulating multidimensional radiative transfer. In addition, we find that the convergence rate of the LBM depends on the transport properties of RTE: for diffusion-dominated RTE with a large optical thickness, the LBM shows a second-order convergence rate in space, while for convection-dominated RTE with a small optical thickness, a lower convergence rate is observed. PMID:27627417
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.
Two relaxation time lattice Boltzmann model for rarefied gas flows
NASA Astrophysics Data System (ADS)
Esfahani, Javad Abolfazli; Norouzi, Ali
2014-01-01
In this paper, the lattice Boltzmann equation (LBE) with two relaxation times (TRT) is implemented in order to study gaseous flow through a long micro/nano-channel. A new relation is introduced for the reflection factor in the bounce-back/specular reflection (BSR) boundary condition based on the analytical solution of the Navier-Stokes equations. The focus of the present study is on comparing TRT with the other LBE models called multiple relaxation times (MRT) and single relaxation time (SRT) in simulation of rarefied gas flows. After a stability analysis for the TRT and SRT models, the numerical results are presented and validated by the analytical solution of the Navier-Stokes equations with slip boundary condition, direct simulation of Monte Carlo (DSMC) and information preservation (IP) method. The effect of various gases on flow behavior is also investigated by using the variable hard sphere (VHS) model through the symmetrical relaxation time.
Modeling the segregation of hydrogen to lattice defects in nickel
Angelo, J.E.; Moody, N.R.; Baskes, M.I.
1995-05-01
In order to better understand the effect of hydrogen on the fracture behavior of nickel, this study uses the embedded atom method (EAM) to model the segregation of hydrogen to lattice defects in nickel. The dislocations modeled include an edge, a screw, and a Lomer dislocation in the locked configuration, i.e. the Lomer-Cottrell Cock (LCL). Several coincident site lattice boundaries are also investigated, these being the {Sigma}3(112) and {Sigma}11(113) tilt boundaries. It will be shown that the trap site energies in the vicinity of both the edge and screw dislocations is only about 0.1 eV while for the LCL and all of the grain boundaries the maximum trap site energy in the vicinity of the defect is on order 0.3 eV. Using a Monte-Carlo method to a impose a hydrogen environment produces much stronger segregation of hydrogen to the deeper traps. When compared to recent experimental studies showing that a binding energy between 0.3-0.4 eV is required for trap site controlled fracture in IN903, it can be concluded that the embrittlement process is most probably associated with trapping of hydrogen to the Lomer-Cottrell Locks.
Topological defects on the lattice: I. The Ising model
NASA Astrophysics Data System (ADS)
Aasen, David; Mong, Roger S. K.; Fendley, Paul
2016-09-01
In this paper and its sequel, we construct topologically invariant defects in two-dimensional classical lattice models and quantum spin chains. We show how defect lines commute with the transfer matrix/Hamiltonian when they obey the defect commutation relations, cousins of the Yang–Baxter equation. These relations and their solutions can be extended to allow defect lines to branch and fuse, again with properties depending only on topology. In this part I, we focus on the simplest example, the Ising model. We define lattice spin-flip and duality defects and their branching, and prove they are topological. One useful consequence is a simple implementation of Kramers–Wannier duality on the torus and higher genus surfaces by using the fusion of duality defects. We use these topological defects to do simple calculations that yield exact properties of the conformal field theory describing the continuum limit. For example, the shift in momentum quantization with duality-twisted boundary conditions yields the conformal spin 1/16 of the chiral spin field. Even more strikingly, we derive the modular transformation matrices explicitly and exactly.
Modeling groundwater flow by lattice Boltzmann method in curvilinear coordinates
NASA Astrophysics Data System (ADS)
Budinski, Ljubomir; Fabian, Julius; Stipic, Matija
2015-07-01
In order to promote the use of the lattice Boltzmann method (LBM) for the simulation of isotropic groundwater flow in a confined aquifer with arbitrary geometry, Poisson's equation was transformed into a curvilinear coordinate system. With the metric function between the physical and the computational domain established, Poisson's equation written in Cartesian coordinates was transformed in curvilinear coordinates. Following, the appropriate equilibrium function for the D2Q9 square lattice has been defined. The resulting curvilinear formulation of the LBM for groundwater flow is capable of modeling flow in domains of complex geometry with the opportunity of local refining/coarsening of the computational mesh corresponding to the complexity of the flow pattern and the required accuracy. Since the proposed form of the LBM uses the transformed equation of flow implemented in the equilibrium function, finding a solution does not require supplementary procedures along the curvilinear boundaries, nor in the zones requiring mesh density adjustments. Thus, the basic concept of the LBM is completely maintained. The improvement of the proposed LBM over the previously published classical methods is completely verified by three examples with analytical solutions. The results demonstrate the advantages of the proposed curvilinear LBM in modeling groundwater flow in complex flow domains.
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.
Critical behavior of the q = 3 , 4-Potts model on quasiperiodic decagonal lattices
NASA Astrophysics Data System (ADS)
Ferraz, Carlos Handrey Araujo
2015-12-01
In this study, we performed Monte Carlo simulations of the q = 3 , 4-Potts model on quasiperiodic decagonal lattices (QDL) to assess the critical behavior of these systems. Using the single histogram technique in conjunction with the finite-size scaling analysis, we estimate the infinite lattice critical temperatures and the leading critical exponents for q = 3 and q = 4 states. Our estimates for the critical exponents on QDL are in good agreement with the exact values on 2D periodic lattices, supporting the claim that both the q = 3 and q = 4 Potts model on quasiperiodic lattices belong to the same universality class as those on 2D periodic lattices.
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.
Evaporation model for beam based additive manufacturing using free surface lattice Boltzmann methods
NASA Astrophysics Data System (ADS)
Klassen, Alexander; Scharowsky, Thorsten; Körner, Carolin
2014-07-01
Evaporation plays an important role in many technical applications including beam-based additive manufacturing processes, such as selective electron beam or selective laser melting (SEBM/SLM). In this paper, we describe an evaporation model which we employ within the framework of a two-dimensional free surface lattice Boltzmann method. With this method, we solve the hydrodynamics as well as thermodynamics of the molten material taking into account the mass and energy losses due to evaporation and the recoil pressure acting on the melt pool. Validation of the numerical model is performed by measuring maximum melt depths and evaporative losses in samples of pure titanium and Ti-6Al-4V molten by an electron beam. Finally, the model is applied to create processing maps for an SEBM process. The results predict that the penetration depth of the electron beam, which is a function of the acceleration voltage, has a significant influence on evaporation effects.
Full Eulerian lattice Boltzmann model for conjugate heat transfer
NASA Astrophysics Data System (ADS)
Hu, Yang; Li, Decai; Shu, Shi; Niu, Xiaodong
2015-12-01
In this paper a full Eulerian lattice Boltzmann model is proposed for conjugate heat transfer. A unified governing equation with a source term for the temperature field is derived. By introducing the source term, we prove that the continuity of temperature and its normal flux at the interface is satisfied automatically. The curved interface is assumed to be zigzag lines. All physical quantities are recorded and updated on a Cartesian grid. As a result, any complicated treatment near the interface is avoided, which makes the proposed model suitable to simulate the conjugate heat transfer with complex interfaces efficiently. The present conjugate interface treatment is validated by several steady and unsteady numerical tests, including pure heat conduction, forced convection, and natural convection problems. Both flat and curved interfaces are also involved. The obtained results show good agreement with the analytical and/or finite volume results.
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.
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.
Gauss Quadratures - the Keystone of Lattice Boltzmann Models
NASA Astrophysics Data System (ADS)
Piaud, Benjamin; Blanco, Stéphane; Fournier, Richard; Ambruş, Victor Eugen; Sofonea, Victor
2014-01-01
In this paper, we compare two families of Lattice Boltzmann (LB) models derived by means of Gauss quadratures in the momentum space. The first one is the HLB(N;Qx,Qy,Qz) family, derived by using the Cartesian coordinate system and the Gauss-Hermite quadrature. The second one is the SLB(N;K,L,M) family, derived by using the spherical coordinate system and the Gauss-Laguerre, as well as the Gauss-Legendre quadratures. These models order themselves according to the maximum order N of the moments of the equilibrium distribution function that are exactly recovered. Microfluidics effects (slip velocity, temperature jump, as well as the longitudinal heat flux that is not driven by a temperature gradient) are accurately captured during the simulation of Couette flow for Knudsen number (kn) up to 0.25.
A lattice Boltzmann model for the Burgers-Fisher equation.
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. PMID:20590325
Full Eulerian lattice Boltzmann model for conjugate heat transfer.
Hu, Yang; Li, Decai; Shu, Shi; Niu, Xiaodong
2015-12-01
In this paper a full Eulerian lattice Boltzmann model is proposed for conjugate heat transfer. A unified governing equation with a source term for the temperature field is derived. By introducing the source term, we prove that the continuity of temperature and its normal flux at the interface is satisfied automatically. The curved interface is assumed to be zigzag lines. All physical quantities are recorded and updated on a Cartesian grid. As a result, any complicated treatment near the interface is avoided, which makes the proposed model suitable to simulate the conjugate heat transfer with complex interfaces efficiently. The present conjugate interface treatment is validated by several steady and unsteady numerical tests, including pure heat conduction, forced convection, and natural convection problems. Both flat and curved interfaces are also involved. The obtained results show good agreement with the analytical and/or finite volume results. PMID:26764851
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.
One-dimensional Kondo lattice model at quarter filling
NASA Astrophysics Data System (ADS)
Xavier, J. C.; Miranda, E.
2008-10-01
We revisit the problem of the quarter-filled one-dimensional Kondo lattice model, for which the existence of a dimerized phase and a nonzero charge gap had been reported by Xavier [Phys. Rev. Lett. 90, 247204 (2003)]. Recently, some objections were raised claiming that the system is neither dimerized nor has a charge gap. In the interest of clarifying this important issue, we show that these objections are based on results obtained under conditions in which the dimer order is artificially suppressed. We use the incontrovertible dimerized phase of the Majumdar-Ghosh point of the J1-J2 Heisenberg model as a paradigm with which to illustrate this artificial suppression. Finally, by means of extremely accurate density-matrix renormalization-group calculations, we show that the charge gap is indeed nonzero in the dimerized phase.
Lattice Boltzmann modeling of three-phase incompressible flows.
Liang, H; Shi, B C; Chai, Z H
2016-01-01
In this paper, based on multicomponent phase-field theory we intend to develop an efficient lattice Boltzmann (LB) model for simulating three-phase incompressible flows. In this model, two LB equations are used to capture the interfaces among three different fluids, and another LB equation is adopted to solve the flow field, where a new distribution function for the forcing term is delicately designed. Different from previous multiphase LB models, the interfacial force is not used in the computation of fluid velocity, which is more reasonable from the perspective of the multiscale analysis. As a result, the computation of fluid velocity can be much simpler. Through the Chapman-Enskog analysis, it is shown that the present model can recover exactly the physical formulations for the three-phase system. Numerical simulations of extensive examples including two circular interfaces, ternary spinodal decomposition, spreading of a liquid lens, and Kelvin-Helmholtz instability are conducted to test the model. It is found that the present model can capture accurate interfaces among three different fluids, which is attributed to its algebraical and dynamical consistency properties with the two-component model. Furthermore, the numerical results of three-phase flows agree well with the theoretical results or some available data, which demonstrates that the present LB model is a reliable and efficient method for simulating three-phase flow problems. PMID:26871191
Lattice Boltzmann modeling of three-phase incompressible flows
NASA Astrophysics Data System (ADS)
Liang, H.; Shi, B. C.; Chai, Z. H.
2016-01-01
In this paper, based on multicomponent phase-field theory we intend to develop an efficient lattice Boltzmann (LB) model for simulating three-phase incompressible flows. In this model, two LB equations are used to capture the interfaces among three different fluids, and another LB equation is adopted to solve the flow field, where a new distribution function for the forcing term is delicately designed. Different from previous multiphase LB models, the interfacial force is not used in the computation of fluid velocity, which is more reasonable from the perspective of the multiscale analysis. As a result, the computation of fluid velocity can be much simpler. Through the Chapman-Enskog analysis, it is shown that the present model can recover exactly the physical formulations for the three-phase system. Numerical simulations of extensive examples including two circular interfaces, ternary spinodal decomposition, spreading of a liquid lens, and Kelvin-Helmholtz instability are conducted to test the model. It is found that the present model can capture accurate interfaces among three different fluids, which is attributed to its algebraical and dynamical consistency properties with the two-component model. Furthermore, the numerical results of three-phase flows agree well with the theoretical results or some available data, which demonstrates that the present LB model is a reliable and efficient method for simulating three-phase flow problems.
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).
Forcing scheme in pseudopotential lattice Boltzmann model for multiphase flows.
Li, Q; Luo, K H; Li, X J
2012-07-01
The pseudopotential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions that cause phase segregation. The forcing scheme is therefore expected to play an important role in the pseudoepotential LB model. In this paper, we aim to address some key issues about forcing schemes in the pseudopotential LB model. First, theoretical and numerical analyses will be made for Shan-Chen's forcing scheme [Shan and Chen, Phys. Rev. E 47, 1815 (1993)] and the exact-difference-method forcing scheme [Kupershtokh et al., Comput. Math. Appl. 58, 965 (2009)]. The nature of these two schemes and their recovered macroscopic equations will be shown. Second, through a theoretical analysis, we will reveal the physics behind the phenomenon that different forcing schemes exhibit different performances in the pseudopotential LB model. Moreover, based on the analysis, we will present an improved forcing scheme and numerically demonstrate that the improved scheme can be treated as an alternative approach to achieving thermodynamic consistency in the pseudopotential LB model. PMID:23005565
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…
Lattice Boltzmann model for generalized nonlinear wave equations
NASA Astrophysics Data System (ADS)
Lai, Huilin; Ma, Changfeng
2011-10-01
In this paper, a lattice Boltzmann model is developed to solve a class of the nonlinear wave equations. Through selecting equilibrium distribution function and an amending function properly, the governing evolution equation can be recovered correctly according to our proposed scheme, in which the Chapman-Enskog expansion is employed. We validate the algorithm on some problems where analytic solutions are available, including the second-order telegraph equation, the nonlinear Klein-Gordon equation, and the damped, driven sine-Gordon equation. It is found that the numerical results agree well with the analytic solutions, which indicates that the present algorithm is very effective and can be used to solve more general nonlinear problems.
Simulating the Wess-Zumino Supersymmetry Model in Optical Lattices
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.
Lattice models of peptide aggregation: evaluation of conformational search algorithms.
Oakley, Mark T; Garibaldi, Jonathan M; Hirst, Jonathan D
2005-11-30
We present a series of conformational search calculations on the aggregation of short peptide fragments that form fibrils similar to those seen in many protein mis-folding diseases. The proteins were represented by a face-centered cubic lattice model with the conformational energies calculated using the Miyazawa-Jernigan potential. The searches were performed using algorithms based on the Metropolis Monte Carlo method, including simulated annealing and replica exchange. We also present the results of searches using the tabu search method, an algorithm that has been used for many optimization problems, but has rarely been used in protein conformational searches. The replica exchange algorithm consistently found more stable structures then the other algorithms, and was particularly effective for the octamers and larger systems. PMID:16170797
Phases of the infinite U Hubbard model on square lattices.
Liu, Li; Yao, Hong; Berg, Erez; White, Steven R; Kivelson, Steven A
2012-03-23
We apply the density matrix renormalization group to study the phase diagram of the infinite U Hubbard model on 2- to 6-leg ladders. Where the results are largely insensitive to the ladder width, we consider the results representative of the 2D square lattice. We find a fully polarized ferromagnetic Fermi liquid phase when n, the density of electrons per site, is in the range 1>n≳0.800. For n=3/4 we find an unexpected insulating checkerboard phase with coexisting bond-density order with 4 sites per unit cell and block-spin antiferromagnetic order with 8 sites per unit cell. For 3/4>n, all ladders with width >2 have unpolarized ground states. PMID:22540606
Anyon Hubbard Model in One-Dimensional Optical Lattices.
Greschner, Sebastian; Santos, Luis
2015-07-31
Raman-assisted hopping may be used to realize the anyon Hubbard model in one-dimensional optical lattices. We propose a feasible scenario that significantly improves the proposal of T. Keilmann et al. [Nat. Commun. 2, 361 (2011)], allowing as well for an exact realization of the two-body hard-core constraint, and for controllable effective interactions without the need of Feshbach resonances. We show that the combination of anyonic statistics and two-body hard-core constraint leads to a rich ground-state physics, including Mott insulators with attractive interactions, pair superfluids, dimer phases, and multicritical points. Moreover, the anyonic statistics results in a novel two-component superfluid of holon and doublon dimers, characterized by a large but finite compressibility and a multipeaked momentum distribution, which may be easily revealed experimentally. PMID:26274417
Interfaces between phases in a lattice model of microemulsions
NASA Astrophysics Data System (ADS)
Dawson, K. A.
1987-02-01
A lattice model which has recently been developed to aid the study of microemulsions is briefly reviewed. The local-density mean-field equations are presented and the interfacial profiles and surface tensions are computed using a variational method. These density profiles describing the interface between oil rich and water rich phases, both of which are isotropic, are structured and nonmonotonic. Some comments about a perturbation expansion which confirms these conclusions are made. It is possible to compute the surface tension to high numerical accuracy using the variational procedure. This permits discussion of the question of wetting of the oil-water interface by a microemulsion phase. The interfacial tensions along the oil-water-microemulsion coexistence line are ultra-low. The oil-water interface is not wet by microemulsion throughout most of the bicontinuous regime.
Lattice models of directed and semiflexible polymers in anisotropic environment
NASA Astrophysics Data System (ADS)
Haydukivska, K.; Blavatska, V.
2015-10-01
We study the conformational properties of polymers in presence of extended columnar defects of parallel orientation. Two classes of macromolecules are considered: the so-called partially directed polymers with preferred orientation along direction of the external stretching field and semiflexible polymers. We are working within the frames of lattice models: partially directed self-avoiding walks (PDSAWs) and biased self-avoiding walks (BSAWs). Our numerical analysis of PDSAWs reveals, that competition between the stretching field and anisotropy caused by presence of extended defects leads to existing of three characteristic length scales in the system. At each fixed concentration of disorder we found a transition point, where the influence of extended defects is exactly counterbalanced by the stretching field. Numerical simulations of BSAWs in anisotropic environment reveal an increase of polymer stiffness. In particular, the persistence length of semiflexible polymers increases in presence of disorder.
Spin Liquid in the Triangular Lattice Heisenberg Model
NASA Astrophysics Data System (ADS)
McCulloch, Ian; Saadatmand, Seyed
We report the results of a large-scale numerical study of the spin-1/2 Heisenberg model on the triangular lattice, with nearest- and next-nearest neighbor interactions. Using SU(2)-invariant iDMRG for infinite cylinders, we focus on the YC12 structure (with a circumference of 12 sites), and obtain 4 candidate groundstates, corresponding to even/odd spinon sectors, each with linear and projective representations of the cylinder geometry. The momentum-resolved entanglement spectrum reveals the structure of the low-lying spinon excitations. Contrary to some recent works, we find no evidence for chiral symmetry breaking. Supported by the ARC Centre for Engineered Quantum Systems.
Standard model cross-over on the lattice
NASA Astrophysics Data System (ADS)
D'Onofrio, Michela; Rummukainen, Kari
2016-01-01
With the physical Higgs mass the standard model symmetry restoration phase transition is a smooth cross-over. We study the thermodynamics of the cross-over using numerical lattice Monte Carlo simulations of an effective SU (2 )×U (1 ) gauge+Higgs theory, significantly improving on previously published results. We measure the Higgs field expectation value, thermodynamic quantities like pressure, energy density, speed of sound and heat capacity, and screening masses associated with the Higgs and Z fields. While the cross-over is smooth, it is very well defined with a width of only ˜5 GeV . We measure the cross-over temperature from the maximum of the susceptibility of the Higgs condensate, with the result Tc=159.5 ±1.5 GeV . Outside of the narrow cross-over region the perturbative results agree well with nonperturbative ones.
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.
Developing a Map Use Model for Web Mapping and GIS
NASA Astrophysics Data System (ADS)
Veenendaal, B.
2015-06-01
Web mapping and GIS technology and applications are developing rapidly in response to growing user and application demands. Technologies over the past decade, including digital globes, positioning-enabled mobile devices and cloud-based geoweb services, have been instrumental in fostering this growth. However, not only technology, but the dissemination and access to geoweb information and services by users and applications have been and are continuing to be important drivers of growth and expansion. The access and use of geospatial information and services is widespread and worldwide, and its use is driving the need to further develop and expand geospatial web information and services. This paper considers a model for web mapping use that is based on the original map use cube by MacEachren & Kraak (1997). The model incorporates technology, usability and knowledge that must be considered for the development and future of geospatial web mapping and services. Such a model assists in the design and development of intelligent web mapping and GIS, and informs the research directions being taken in this fast evolving discipline.
On the theory of the galvanomagnetic properties of composite materials: Lattice model
NASA Astrophysics Data System (ADS)
Balagurov, B. Ya.
2015-07-01
The problem of the galvanomagnetic properties of composite materials is formulated for a lattice model. The effective galvanomagnetic characteristics of a weakly heterogeneous lattice are determined in the quadratic approximation in the deviation of local conductivity tensor ( r) from average value <>. In the case of a low concentration ( c ≪ 1) of "defect" bonds, effective conductivity tensor e of a binary lattice model is calculated in the c-linear approximation. Effective medium method equations are derived for the formulated lattice problem, and the results are compared with the results obtained in a continuous medium model.
Force method in a pseudo-potential lattice Boltzmann model
NASA Astrophysics Data System (ADS)
Hu, Anjie; Li, Longjian; Uddin, Rizwan
2015-08-01
Single component pseudo-potential lattice Boltzmann models have been widely studied due to their simplicity and stability in multiphase simulations. While numerous models have been proposed, comparative analysis and advantages and disadvantages of different force schemes are often lacking. A pseudo-potential model to simulate large density ratios proposed by Kupershtokh et al. [1] is analyzed in detail in this work. Several common used force schemes are utilized and results compared. Based on the numerical results, the relatively most accurate force scheme proposed by Guo et al. [2] is selected and applied to improve the accuracy of Kupershtokh et al.'s model. Results obtained using the modified Kupershtokh et al.'s model [1] for different value of τ are compared with those obtained using Li et al.'s model [3]. Effect of relaxation time τ on the accuracy of the results is reported. Moreover, it is noted that the error in the density ratio predicted by the model is directly correlated with the magnitude of the spurious velocities on (curved) interfaces. Simulation results show that, the accuracy of Kupershtokh et al.'s model can be improved with Guo et al.'s force scheme [2]. However, the errors and τ's effects are still noticeable when density ratios are large. To improve the accuracy of the pseudo-potential model and to reduce the effects of τ, two possible methods were discussed in the present work. Both, a rescaling of the equation of state and multi-relaxation time, are applied and are shown to improve the prediction of the density ratios.
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.
Thermal multicomponent lattice Boltzmann model for catalytic reactive flows.
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. PMID:25019915
Thermal multicomponent lattice Boltzmann model for catalytic reactive flows
NASA Astrophysics Data System (ADS)
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), 10.1103/PhysRevE.87.053304] 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), 10.1103/PhysRevE.78.046711] is adapted to account for temperature variations. Speed of sound simulations further demonstrate the physical integrity and unique features of the model.
Reconciling lattice and continuum models for polymers at interfaces.
Fleer, G J; Skvortsov, A M
2012-04-01
It is well known that lattice and continuum descriptions for polymers at interfaces are, in principle, equivalent. In order to compare the two models quantitatively, one needs a relation between the inverse extrapolation length c as used in continuum theories and the lattice adsorption parameter Δχ(s) (defined with respect to the critical point). So far, this has been done only for ideal chains with zero segment volume in extremely dilute solutions. The relation Δχ(s)(c) is obtained by matching the boundary conditions in the two models. For depletion (positive c and Δχ(s)) the result is very simple: Δχ(s) = ln(1 + c/5). For adsorption (negative c and Δχ(s)) the ideal-chain treatment leads to an unrealistic divergence for strong adsorption: c decreases without bounds and the train volume fraction exceeds unity. This due to the fact that for ideal chains the volume filling cannot be accounted for. We extend the treatment to real chains with finite segment volume at finite concentrations, for both good and theta solvents. For depletion the volume filling is not important and the ideal-chain result Δχ(s) = ln(1 + c/5) is generally valid also for non-ideal chains, at any concentration, chain length, or solvency. Depletion profiles can be accurately described in terms of two length scales: ρ = tanh(2)[(z + p)/δ], where the depletion thickness (distal length) δ is a known function of chain length and polymer concentration, and the proximal length p is a known function of c (or Δχ(s)) and δ. For strong repulsion p = 1/c (then the proximal length equals the extrapolation length), for weaker repulsion p depends also on chain length and polymer concentration (then p is smaller than 1/c). In very dilute solutions we find quantitative agreement with previous analytical results for ideal chains, for any chain length, down to oligomers. In more concentrated solutions there is excellent agreement with numerical self-consistent depletion profiles, for both weak
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.
NASA Astrophysics Data System (ADS)
Pasrija, Kanika; Kumar, Sanjeev
2016-05-01
Motivated by the importance of noncollinear and noncoplanar magnetic phases in determining various electrical properties in magnets, we investigate the magnetic phase diagram of the extended Hubbard model on an anisotropic triangular lattice. We map out the ground-state phase diagram within a mean-field scheme that treats collinear, noncollinear, and noncoplanar phases on equal footing. In addition to the standard ferromagnet and 120∘ antiferromagnet states, we find the four-sublattice flux, the 3Q noncoplanar, and the noncollinear charge-ordered states to be stable at specific values of filling fraction n . Inclusion of a nearest-neighbor Coulomb repulsion leads to intriguing spin-charge-ordered phases. The most notable of these are the collinear and noncollinear magnetic states at n =2 /3 , which occur together with a pinball-liquid-like charge order. Our results demonstrate that the elementary single-orbital extended Hubbard model on a triangular lattice hosts unconventional spin-charge ordered phases, which are similar to those reported in more complex and material-specific electronic Hamiltonians.
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.
Modeling the effects of emergent vegetation on open channel flow using a lattice model
Technology Transfer Automated Retrieval System (TEKTRAN)
A two-dimensional lattice model is developed to describe the influence of vegetation on the turbulent flow structure in an open channel. The model includes the influence of vegetation density on the frictional effect of the channel bed and walls. For the walls, a slip boundary condition is considere...
On the Characterization and Software Implementation of General Protein Lattice Models
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
Jose, Davis; Weitzel, Steven E; Baase, Walter A; von Hippel, Peter H
2015-10-30
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
Lattice Boltzmann modeling of directional wetting: comparing simulations to experiments.
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. PMID:23944550
Causality and quantum criticality in long-range lattice models
NASA Astrophysics Data System (ADS)
Maghrebi, Mohammad F.; Gong, Zhe-Xuan; Foss-Feig, Michael; Gorshkov, Alexey V.
2016-03-01
Long-range quantum lattice systems often exhibit drastically different behavior than their short-range counterparts. In particular, because they do not satisfy the conditions for the Lieb-Robinson theorem, they need not have an emergent relativistic structure in the form of a light cone. Adopting a field-theoretic approach, we study the one-dimensional transverse-field Ising model with long-range interactions, and a fermionic model with long-range hopping and pairing terms, explore their critical and near-critical behavior, and characterize their response to local perturbations. We deduce the dynamic critical exponent, up to the two-loop order within the renormalization group theory, which we then use to characterize the emergent causal behavior. We show that beyond a critical value of the power-law exponent of the long-range couplings, the dynamics effectively becomes relativistic. Various other critical exponents describing correlations in the ground state, as well as deviations from a linear causal cone, are deduced for a wide range of the power-law exponent.
Polar-coordinate lattice Boltzmann modeling of compressible flows
NASA Astrophysics Data System (ADS)
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.
A stochastic model for retinocollicular map development
Koulakov, Alexei A; Tsigankov, Dmitry N
2004-01-01
Background We examine results of gain-of-function experiments on retinocollicular maps in knock-in mice [Brown et al. (2000) Cell 102:77]. In wild-type mice the temporal-nasal axis of retina is mapped to the rostral-caudal axis of superior colliculus. The established map is single-valued, which implies that each point in retina maps to a unique termination zone in superior colliculus. In homozygous Isl2/EphA3 knock-in mice the map is double-valued, which means that each point on retina maps to two termination zones in superior colliculus. This is because about 50 percent of cells in retina express Isl2, and two types of projections, wild-type and Isl2/EphA3 positive, form two branches of the map. In heterozygous Isl2/EphA3 knock-ins the map is intermediate between the homozygous and wild-type: it is single-valued in temporal and double-valued in the nasal parts of retina. In this study we address possible reasons for such a bifurcation of the map. Results We study the map formation using stochastic model based on Markov chains. In our model the map undergoes a series of reconstructions with probabilities dependent upon a set of chemical cues. Our model suggests that the map in heterozygotes is single-valued in temporal region of retina for two reasons. First, the inhomogeneous gradient of endogenous receptor in retina makes the impact of exogenous receptor less significant in temporal retina. Second, the gradient of ephrin in the corresponding region of superior colliculus is smaller, which reduces the chemical signal-to-noise ratio. We predict that if gradient of ephrin is reduced by a genetic manipulation, the single-valued region of the map should extend to a larger portion of temporal retina, i.e. the point of transition between single-and doulble-valued maps should move to a more nasal position in Isl2-EphA3 heterozygotes. Conclusions We present a theoretical model for retinocollicular map development, which can account for intriguing behaviors observed in
Producing high-accuracy lattice models from protein atomic coordinates including side chains.
Mann, Martin; Saunders, Rhodri; Smith, Cameron; Backofen, Rolf; Deane, Charlotte M
2012-01-01
Lattice models are a common abstraction used in the study of protein structure, folding, and refinement. They are advantageous because the discretisation of space can make extensive protein evaluations computationally feasible. Various approaches to the protein chain lattice fitting problem have been suggested but only a single backbone-only tool is available currently. We introduce LatFit, a new tool to produce high-accuracy lattice protein models. It generates both backbone-only and backbone-side-chain models in any user defined lattice. LatFit implements a new distance RMSD-optimisation fitting procedure in addition to the known coordinate RMSD method. We tested LatFit's accuracy and speed using a large nonredundant set of high resolution proteins (SCOP database) on three commonly used lattices: 3D cubic, face-centred cubic, and knight's walk. Fitting speed compared favourably to other methods and both backbone-only and backbone-side-chain models show low deviation from the original data (~1.5 Å RMSD in the FCC lattice). To our knowledge this represents the first comprehensive study of lattice quality for on-lattice protein models including side chains while LatFit is the only available tool for such models. PMID:22934109
Producing High-Accuracy Lattice Models from Protein Atomic Coordinates Including Side Chains
Mann, Martin; Saunders, Rhodri; Smith, Cameron; Backofen, Rolf; Deane, Charlotte M.
2012-01-01
Lattice models are a common abstraction used in the study of protein structure, folding, and refinement. They are advantageous because the discretisation of space can make extensive protein evaluations computationally feasible. Various approaches to the protein chain lattice fitting problem have been suggested but only a single backbone-only tool is available currently. We introduce LatFit, a new tool to produce high-accuracy lattice protein models. It generates both backbone-only and backbone-side-chain models in any user defined lattice. LatFit implements a new distance RMSD-optimisation fitting procedure in addition to the known coordinate RMSD method. We tested LatFit's accuracy and speed using a large nonredundant set of high resolution proteins (SCOP database) on three commonly used lattices: 3D cubic, face-centred cubic, and knight's walk. Fitting speed compared favourably to other methods and both backbone-only and backbone-side-chain models show low deviation from the original data (~1.5 Å RMSD in the FCC lattice). To our knowledge this represents the first comprehensive study of lattice quality for on-lattice protein models including side chains while LatFit is the only available tool for such models. PMID:22934109
Children's Relief Maps of Model Landscapes.
ERIC Educational Resources Information Center
Wiegand, Patrick; Stiell, Bernadette
1997-01-01
Reports on a study where 111 primary age children were asked to map four model landscapes of increasing complexity. The results show an age-related progression from representing hills in elevation only to early experiments with the use of contours. Includes maps, graphs, and statistical data. (MJP)
Modeling temporal morphological systems via lattice dynamical systems
NASA Astrophysics Data System (ADS)
Barrera, Junior; Dougherty, Edward R.; Gubitoso, Marco D.; Hirata, Nina S. T.
2001-05-01
This paper introduces the family of Finite Lattice Dynamical Systems (FLDS), that includes, for example, the family of finite chain dynamical systems. It also gives a constructive algebraic representation for these systems, based on classical lattice operator morphological representations, and formalizes the problem of FLDS identification from stochastic initial condition, input and ideal output. Under acceptable practical conditions, the identification problem reduces to a set of problems of lattice operator design from observed input-output data, that has been extensively studied in the context of designing morphological image operators. Finally, an application of this technique for the identification of Boolean Networks (i.e., Boolean lattice dynamical systems) from simulated data is presented and analyzed.
Modeling plasmons and photons in complex, periodic lattices
NASA Astrophysics Data System (ADS)
McClarren, Ryan; Pletzer, Alexander
2002-11-01
We present the continued evolution of Curly3d, a finite element code for solving the vector Helmholtz equation in a periodic lattice. New developments in Curly3d which are of particular interest for analyzing optical properties in such lattices are discussed: (1) the capability to compute the curl of a vector field of the lattice and by extension the Poynting flux throughout (2) the implementation of algorthims to allow for the lattice to have inhomogenuous and anisotropic dielectric and permeability properties on an arbitrarily small scale (i.e. on the order of a single element). Curly3d uses these new features coupled with its flexibility due to its implementation in the Python scripting language to analyze complex geometries. Calculations are performed on materials with local negative dielectric and permeability characteristics and presented with the necessary implications of the results.
Solid Phase DNA Amplification: A Simple Monte Carlo Lattice Model
NASA Astrophysics Data System (ADS)
Mercier, Jean-Francois; Slater, Gary W.; Mayer, Pascal
2003-03-01
Recently, a new type of PCR called solid phase DNA amplification, has been introduced where surface-bound instead of freely-diffusing primers are used to amplify DNA. This type of amplification is limited to two-dimensional surfaces and therefore allows the easy parallelization of the PCR process in a single system. Furthermore, solid phase DNA amplification could provide an alternate route to DNA target implantation on DNA chips for genomic studies. We propose a simple Lattice Monte Carlo model of solid phase DNA amplification. We study the growth, stability and morphology of isolated PCR colonies under various conditions. Our results indicate that, in most cases, solid phase DNA amplification is characterized by a geometric growth and a rather sharp size distribution. These results are qualitatively different those obtained for liquid PCR processes which are usually characterized (at least initially) by an exponential growth and a broad population distribution. Various non-ideal effects are studied, and we demonstrate that such effects do not generally change the nature of the process, except in extreme cases.
Spontaneous magnetization of the Ising model on the union jack and 4-6 lattices
NASA Astrophysics Data System (ADS)
Lin, K. Y.; Wang, S. C.
1988-03-01
Spontaneous magnetization of the Ising model on the anisotropic Union Jack and 4-6 lattices are derived exactly. The conjecture by Lin and Wang is confirmed. Our result is a generalization of the recent work on the isotropic Union Jack lattice by Choy and Baxter.
Spontaneous magnetization of the Ising model on a 4-8 lattice
NASA Astrophysics Data System (ADS)
Lin, K. Y.
1988-03-01
Spontaneous magnetization of the Ising model on a 4-8 lattice is derived. The result agrees with the conjecture of Lin, Kao and Chen. Our derivation is closely related to the recent work of Choy and Baxter on the isotropic Union Jack lattice.
Lattice Boltzmann Hydrodynamic and Transport Modeling of Everglades Mangrove Estuaries
NASA Astrophysics Data System (ADS)
Sukop, M. C.; Engel, V.
2010-12-01
Lattice Boltzmann methods are being developed and applied to simulate groundwater and surface water flows, and heat, solute, and particle transport. Their ability to solve Navier-Stokes, St. Venant, or Darcy equations with closely coupled solute transport and density-dependent flow effects in geometrically complex domains is attractive for inverse modeling of tracer release data and forward modeling of carbon transport in mangrove estuaries under various future conditions. Key physical processes to be simulated include tidal cycles, storm surge, sea level change, variable upstream stage, subsurface groundwater inputs, and precipitation/recharge and their effects on estuary salinity and carbon transport in the estuaries and groundwater beneath the mangroves. Carbon sources and storage in the aquifer and exchanges at the mangrove-estuary interface and carbon transformations in the water column also need to be simulated. Everglades tidal mangrove estuaries are characterized by relatively high velocity (approaching 1 m s-1) tidal flows. The channels are generally less than 2 m in depth. Tidal fluctuations approach 2 m leading to significant areas of periodic inundation and emergence of oyster beds, shell beaches, mangrove root masses, and sandy beaches. Initial models are two-dimensional, although a three-dimensional model explicitly incorporating bathymetry, density-dependent flow, and wind-driven circulation could be developed. Preliminary work highlights some of the abilities of early models. A satellite image of a 64-km2 area surrounding a CO2 flux tower is used to provide the model geometry. Model resolution is 15 m per grid node. A sinusoidal tidal stage variation and constant, high salinity are applied to the Gulf side of the model while a constant stage (corresponding to mean tide), zero salinity boundary is applied on the inland side. The Navier-Stokes equations coupled with the advection-diffusion equation are solved in the open channels. The mangrove areas
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
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
Scaling, cluster dynamics and complex oscillations in a multispecies Lattice Lotka-Volterra Model
NASA Astrophysics Data System (ADS)
Shabunin, A. V.; Efimov, A.; Tsekouras, G. A.; Provata, A.
2005-03-01
The cluster formation in the cyclic (4+1)-Lattice Lotka-Volterra Model is studied by Kinetic Monte Carlo simulations on a square lattice support. At the Mean Field level this model demonstrates conservative four-dimensional oscillations which, depending on the parameters, can be chaotic or quasi-periodic. When the system is realized on a square lattice substrate the various species organize in domains (clusters) with fractal boundaries and this is consistent with dissipative dynamics. For small lattice sizes, the entire lattice oscillates in phase and the size distribution of the clusters follows a pure power law distribution. When the system size is large many independently oscillating regions are formed and as a result the cluster size distribution in addition to the power law, acquires a exponential decay dependence. This combination of power law and exponential decay of distributions and correlations is indicative, in this case, of mixing and superposition of regions oscillating asynchronously.
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 school…
Protein-lipid interactions in bilayer membranes: A lattice model
Pink, David A.; Chapman, Dennis
1979-01-01
A lattice model has been developed to study the effects of intrinsic membrane proteins upon the thermodynamic properties of a lipid bilayer membrane. We assume that only nearest-neighbor van der Waals and steric interactions are important and that the polar group interactions can be represented by effective pressure—area terms. Phase diagrams, the temperature T0, which locates the gel—fluid melting, the transition enthalpy, and correlations were calculated by mean field and cluster approximations. Average lipid chain areas and chain areas when the lipid is in a given protein environment were obtained. Proteins that have a “smooth” homogeneous surface (“cholesterol-like”) and those that have inhomogeneous surfaces or that bind lipids specifically were considered. We find that T0 can vary depending upon the interactions and that another peak can appear upon the shoulder of the main peak which reflects the melting of a eutectic mixture. The transition enthalpy decreases generally, as was found before, but when a second peak appears departures from this behavior reflect aspects of the eutectic mixture. We find that proteins have significant nonzero probabilities for being adjacent to one another so that no unbroken “annulus” of lipid necessarily exists around a protein. If T0 does not increase much, or decreases, with increasing c, then lipids adjacent to a protein cannot all be all-trans on the time scale (10-7 sec) of our system. Around a protein the lipid correlation depth is about one lipid layer, and this increases with c. Possible consequences of ignoring changes in polar group interactions due to clustering of proteins are discussed. PMID:286996
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.
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
Map-based models in neuronal dynamics
NASA Astrophysics Data System (ADS)
Ibarz, B.; Casado, J. M.; Sanjuán, M. A. F.
2011-04-01
Ever since the pioneering work of Hodgkin and Huxley, biological neuron models have consisted of ODEs representing the evolution of the transmembrane voltage and the dynamics of ionic conductances. It is only recently that discrete dynamical systems-also known as maps-have begun to receive attention as valid phenomenological neuron models. The present review tries to provide a coherent perspective of map-based biological neuron models, describing their dynamical properties; stressing the similarities and differences, both among them and in relation to continuous-time models; exploring their behavior in networks; and examining their wide-ranging possibilities of application in computational neuroscience.
A model of electronic map interpretation
NASA Technical Reports Server (NTRS)
Aretz, Anthony J.
1988-01-01
This paper describes an experiment that provides data for the development of a cognitive model of pilot flight navigation. The model views navigation as a process involving the alignment of mental images with the perceptual view out of the cockpit. The data support a three stage model: (1) the perceptual encoding of the map display, (2) mental rotation of the mental image, and (3) comparison of the image to the environment. The variables that significantly influence the processes embodied in the model in decreasing importance are: speed of processing, display sequencing, map complexity, and rotation angle of the map. The model can be used as a preliminary computational tool in predicting the navigational component of pilot situational awareness.
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.