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.
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
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.
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.
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
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.
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.
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.
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.
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
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
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.
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
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.
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.
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.
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
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.
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; 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.
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
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 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.
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.
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.
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.
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.
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.
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
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
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.; 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.
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
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.
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.
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.
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.
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.
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.
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
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.
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.
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.
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.
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.
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.
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.
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…
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.
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
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.
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.
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.
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 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.
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.
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.
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.
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
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.
Flow field mapping in data rack model
NASA Astrophysics Data System (ADS)
Manoch, L.; Matěcha, J.; Pohan, P.
2013-04-01
The main objective of this study was to map the flow field inside the data rack model, fitted with three 1U server models. The server model is based on the common four-processor 1U server. The main dimensions of the data rack model geometry are taken fully from the real geometry. Only the model was simplified with respect to the greatest possibility in the experimental measurements. The flow field mapping was carried out both experimentally and numerically. PIV (Particle Image Velocimetry) method was used for the experimental flow field mapping, when the flow field has been mapped for defined regions within the 2D/3D data rack model. Ansys CFX and OpenFOAM software were used for the numerical solution. Boundary conditions for numerical model were based on data obtained from experimental measurement of velocity profile at the output of the server mockup. This velocity profile was used as the input boundary condition in the calculation. In order to achieve greater consistency of the numerical model with experimental data, the numerical model was modified with regard to the results of experimental measurements. Results from the experimental and numerical measurements were compared and the areas of disparateness were identified. In further steps the obtained proven numerical model will be utilized for the real geometry of data racks and data.
NASA Astrophysics Data System (ADS)
Eising, G.; Kooi, B. J.
2012-06-01
Growth and decay of clusters at temperatures below Tc have been studied for a two-dimensional Ising model for both square and triangular lattices using Monte Carlo (MC) simulations and the enumeration of lattice animals. For the lattice animals, all unique cluster configurations with their internal bonds were identified up to 25 spins for the triangular lattice and up to 29 spins for the square lattice. From these configurations, the critical cluster sizes for nucleation have been determined based on two (thermodynamic) definitions. From the Monte Carlo simulations, the critical cluster size is also obtained by studying the decay and growth of inserted, most compact clusters of different sizes. A good agreement is found between the results from the MC simulations and one of the definitions of critical size used for the lattice animals at temperatures T > ˜0.4 Tc for the square lattice and T > ˜0.2 Tc for the triangular lattice (for the range of external fields H considered). At low temperatures (T ≈ 0.2 Tc for the square lattice and T ≈ 0.1 Tc for the triangular lattice), magic numbers are found in the size distributions during the MC simulations. However, these numbers are not present in the critical cluster sizes based on the MC simulations, as they are present for the lattice animal data. In order to achieve these magic numbers in the critical cluster sizes based on the MC simulation, the temperature has to be reduced further to T ≈ 0.15 Tc for the square lattice. The observed evolution of magic numbers as a function of temperature is rationalized in the present work.
NASA Astrophysics Data System (ADS)
Karamooz Ravari, M. R.; Kadkhodaei, M.
2015-01-01
As the fabrication and characterization of cellular lattice structures are time consuming and expensive, development of simple models is vital. In this paper, a new approach is presented to model the mechanical stress-strain curve of cellular lattices with low computational efforts. To do so, first, a single strut of the lattice is modeled with its imperfections and defects. The stress-strain of a specimen fabricated with the same processing parameters as those used for the lattice is used as the base material. Then, this strut is simulated in simple tension, and its stress-strain curve is obtained. After that, a unit cell of the lattice is simulated without any imperfections, and the material parameters of the single strut are attributed to the bulk material. Using this method, the stress-strain behavior of the lattice is obtained and shown to be in a good agreement with the experimental result. Accordingly, this paper presents a computationally efficient method for modeling the mechanical properties of cellular lattices with a reasonable accuracy using the material parameters of simple tension tests. The effects of the single strut's length and its micropores on its mechanical properties are also assessed.
Process-chain approach to high-order perturbation calculus for quantum lattice models
Eckardt, Andre
2009-05-15
A method based on Rayleigh-Schroedinger perturbation theory is developed that allows to obtain high-order series expansions for ground-state properties of quantum lattice models. The approach is capable of treating both lattice geometries of large spatial dimensionalities d and on-site degrees of freedom with large state space dimensionalities. It has recently been used to accurately compute the zero-temperature phase diagram of the Bose-Hubbard model on a hypercubic lattice, up to arbitrary large filling and for d=2, 3, and greater [Teichmann et al., Phys. Rev. B 79, 100503(R) (2009)].0.
Calculation of the Entropy of Lattice Polymer Models from Monte Carlo Trajectories.
White, Ronald P; Funt, Jason; Meirovitch, Hagai
2005-07-20
While lattice models are used extensively for macromolecules (synthetic polymers proteins, etc), calculation of the absolute entropy, S, and the free energy, F, from a given Monte Carlo (MC) trajectory is not straightforward. Recently we have developed the hypothetical scanning MC (HSMC) method for calculating S and F of fluids. Here we extend HSMC to self-avoiding walks on a square lattice and discuss its wide applicability to complex polymer lattice models. HSMC is independent of existing techniques and thus constitutes an independent research tool; it provides rigorous upper and lower bounds for F, which can be obtained from a very small sample and even from a single chain conformation. PMID:16912812
NASA Astrophysics Data System (ADS)
Panov, G. A.; Zakharov, M. A.
2015-11-01
The present work is devoted to the phase diagrams calculation of AIIIBV systems within the framework of the generalized lattice model taking account of volume effects. The theoretically calculated phase diagram is compared with the corresponding experimental diagrams.
Hassan, S. R.; Tremblay, A.-M. S.; Medici, L. de
2007-10-01
We study the properties of t-t{sup '}-V model of hard-core bosons on the triangular lattice that can be realized in optical lattices. By mapping to the spin-1/2 XXZ model in a field, we determine the phase diagram of the t-V model where the supersolid characterized by the ordering pattern (x,x,-2x{sup '}) (''ferrimagnetic'' or SS A) is a ground state for chemical potential {mu}>3V. By turning on either temperature or t{sup '} at half filling ({mu}=3V), we find a first order transition from SS A to the elusive supersolid characterized by the (x,-x,0) ordering pattern (''antiferromagnetic'' or SS C). In addition, we find a large region where a superfluid phase becomes a solid upon increasing temperature at fixed chemical potential. This is an analog of the Pomeranchuk effect driven by the large entropic effects associated with geometric frustration on the triangular lattice.
NASA Astrophysics Data System (ADS)
Zhang, Jianying; Yan, Guangwu
2015-12-01
A spatiotemporal lattice Boltzmann model for solving the three-dimensional cubic-quintic complex Ginzburg-Landau equation (CQCGLE) is proposed. Different from the classic lattice Boltzmann models, this lattice Boltzmann model is based on uniformly distributed lattice points in a three-dimensional spatiotemporal space, and the evolution of the model is about a spatial axis rather than time. The algorithm possesses advantages similar to the lattice Boltzmann method in that it is easily adapted to complex Ginzburg-Landau equations. Examples show that the model reproduces the phenomena in the CQCGLE accurately.
Fuzzy Cognitive Map Modelling Educational Software Adoption
ERIC Educational Resources Information Center
Hossain, Sarmin; Brooks, Laurence
2008-01-01
Educational software adoption across UK secondary schools is seen as unsatisfactory. Based on stakeholders' perceptions, this paper uses fuzzy cognitive maps (FCMs) to model this adoption context. It discusses the development of the FCM model, using a mixed-methods approach and drawing on participants from three UK secondary schools. The study…
A tractable genotype–phenotype map modelling the self-assembly of protein quaternary structure
Greenbury, Sam F.; Johnston, Iain G.; Louis, Ard A.; Ahnert, Sebastian E.
2014-01-01
The mapping between biological genotypes and phenotypes is central to the study of biological evolution. Here, we introduce a rich, intuitive and biologically realistic genotype–phenotype (GP) map that serves as a model of self-assembling biological structures, such as protein complexes, and remains computationally and analytically tractable. Our GP map arises naturally from the self-assembly of polyomino structures on a two-dimensional lattice and exhibits a number of properties: redundancy (genotypes vastly outnumber phenotypes), phenotype bias (genotypic redundancy varies greatly between phenotypes), genotype component disconnectivity (phenotypes consist of disconnected mutational networks) and shape space covering (most phenotypes can be reached in a small number of mutations). We also show that the mutational robustness of phenotypes scales very roughly logarithmically with phenotype redundancy and is positively correlated with phenotypic evolvability. Although our GP map describes the assembly of disconnected objects, it shares many properties with other popular GP maps for connected units, such as models for RNA secondary structure or the hydrophobic-polar (HP) lattice model for protein tertiary structure. The remarkable fact that these important properties similarly emerge from such different models suggests the possibility that universal features underlie a much wider class of biologically realistic GP maps. PMID:24718456
Gray S. Chang
2005-11-01
The currently being developed advanced High Temperature gas-cooled Reactors (HTR) is able to achieve a simplification of safety through reliance on innovative features and passive systems. One of the innovative features in these HTRs is reliance on ceramic-coated fuel particles to retain the fission products even under extreme accident conditions. Traditionally, the effect of the random fuel kernel distribution in the fuel pebble / block is addressed through the use of the Dancoff correction factor in the resonance treatment. However, the Dancoff correction factor is a function of burnup and fuel kernel packing factor, which requires that the Dancoff correction factor be updated during Equilibrium Fuel Cycle (EqFC) analysis. An advanced KbK-sph model and whole pebble super lattice model (PSLM), which can address and update the burnup dependent Dancoff effect during the EqFC analysis. The pebble homogeneous lattice model (HLM) is verified by the burnup characteristics with the double-heterogeneous KbK-sph lattice model results. This study summarizes and compares the KbK-sph lattice model and HLM burnup analyzed results. Finally, we discuss the Monte-Carlo coupling with a fuel depletion and buildup code - ORIGEN-2 as a fuel burnup analysis tool and its PSLM calculated results for the HTR EqFC burnup analysis.
Microscopic reversibility and macroscopic irreversibility: A lattice gas model
NASA Astrophysics Data System (ADS)
Pérez-Cárdenas, Fernando C.; Resca, Lorenzo; Pegg, Ian L.
2016-09-01
We present coarse-grained descriptions and computations of the time evolution of a lattice gas system of indistinguishable particles, whose microscopic laws of motion are exactly reversible, in order to investigate how or what kind of macroscopically irreversible behavior may eventually arise. With increasing coarse-graining and number of particles, relative fluctuations of entropy rapidly decrease and apparently irreversible behavior unfolds. Although that behavior becomes typical in those limits and within a certain range, it is never absolutely irreversible for any individual system with specific initial conditions. Irreversible behavior may arise in various ways. We illustrate one possibility by replacing detailed integer occupation numbers at lattice sites with particle probability densities that evolve diffusively.
Quantum lattice-gas model of spinor superfluids
NASA Astrophysics Data System (ADS)
Yepez, Jeffrey; Vahala, George; Vahala, Linda; Soe, Min
2010-04-01
Spinor Bose Einstein Condensates are intriguing because of their vast range of different topological vortices. These states occur when a BEC gas is trapped in an optical lattice rather than in a magnetic well (which would result in scalar BEC vortices). A spinor BEC states also occur in a quantum gas when several hyperfine states of the atom co-exist in the same trap. A unitary quantum lattice algorithm that is ideally parallelized to all available processors is used to solve the evolution of non-eigenstate Skyrmions in a coupled BEC system. The incompressible kinetic energy spectrum of the inner quantum vortex ring core rapidly deviates from the k-3 spectrum found in the evolution of scalar BECs.
The high density phase of the k-NN hard core lattice gas model
NASA Astrophysics Data System (ADS)
Nath, Trisha; Rajesh, R.
2016-07-01
The k-NN hard core lattice gas model on a square lattice, in which the first k next nearest neighbor sites of a particle are excluded from being occupied by another particle, is the lattice version of the hard disc model in two dimensional continuum. It has been conjectured that the lattice model, like its continuum counterpart, will show multiple entropy-driven transitions with increasing density if the high density phase has columnar or striped order. Here, we determine the nature of the phase at full packing for k up to 820 302 . We show that there are only eighteen values of k, all less than k = 4134, that show columnar order, while the others show solid-like sublattice order.
Permeability of Partially Molten Rocks from Lattice-Boltzmann Modeling
NASA Astrophysics Data System (ADS)
Garapic, G.; Faul, U.
2013-12-01
Timescales of melt transport at mid-ocean ridges from mantle source to the surface depend on permeability of the partially molten mantle. The permeability is usually predicted indirectly from experimental observations based on porosities that are much higher than the porosities inferred for the partially molten mantle. Low porosities are for example predicted by geochemical models from the onset of melt migration. Since melting starts at the grain scale, permeability of the partially molten mantle will depend on the grain-scale melt distribution. We reconstructed a 3-D view of melt geometry of two experimentally produced samples of partially molten olivine which demonstrates that melt exists in thin layers on two-grain boundaries (Garapić et al.,G3, 2013). The wetted two-grain boundaries have a width about 100 times smaller than the average grain size. Additionally, the pore space consists of a network of triple-junction tubules at all porosities, and large 'melt pools'. Due to the relative size of the wetted two-grain boundaries as well as the size of the triple-junction network compared to the grain size imagining and numerical analyses of partially molten samples require high resolution. Since no direct experimental permeability measurements are possible on partially molten aggregates, we investigate numerically the permeability as a function of porosity for this system. We simulate porous flow through an artificial pore volume using the lattice-Boltzmann method (LBM) and Palabos LB code. Flow simulations were done on a computer cluster on three or four 125 GB nodes with 16 processors per node. With the available memory and allowed run time the maximum size of our pore structure was 1100 voxels per edge. In its simplest form the pore structure consists of a network of cylinders within a matrix of cubic grains. To approximate the observed 3-D melt geometry we added randomly distributed sheets on cube faces ('wetted two-grain boundaries') as well as randomly
Dietschreit, Johannes C B; Diestler, Dennis J; Knapp, Ernst W
2016-05-10
To speed up the generation of an ensemble of poly(ethylene oxide) (PEO) polymer chains in solution, a tetrahedral lattice model possessing the appropriate bond angles is used. The distance between noncovalently bonded atoms is maintained at realistic values by generating chains with an enhanced degree of self-avoidance by a very efficient Monte Carlo (MC) algorithm. Potential energy parameters characterizing this lattice model are adjusted so as to mimic realistic PEO polymer chains in water simulated by molecular dynamics (MD), which serves as a benchmark. The MD data show that PEO chains have a fractal dimension of about two, in contrast to self-avoiding walk lattice models, which exhibit the fractal dimension of 1.7. The potential energy accounts for a mild hydrophobic effect (HYEF) of PEO and for a proper setting of the distribution between trans and gauche conformers. The potential energy parameters are determined by matching the Flory radius, the radius of gyration, and the fraction of trans torsion angles in the chain. A gratifying result is the excellent agreement of the pair distribution function and the angular correlation for the lattice model with the benchmark distribution. The lattice model allows for the precise computation of the torsional entropy of the chain. The generation of polymer conformations of the adjusted lattice model is at least 2 orders of magnitude more efficient than MD simulations of the PEO chain in explicit water. This method of generating chain conformations on a tetrahedral lattice can also be applied to other types of polymers with appropriate adjustment of the potential energy function. The efficient MC algorithm for generating chain conformations on a tetrahedral lattice is available for download at https://github.com/Roulattice/Roulattice . PMID:27045228
Multiple phase transitions in extended hard-core lattice gas models in two dimensions.
Nath, Trisha; Rajesh, R
2014-07-01
We study the k-NN hard-core lattice gas model in which the first k next-nearest-neighbor sites of a particle are excluded from occupation by other particles on a two-dimensional square lattice. This model is the lattice version of the hard-disk system with increasing k corresponding to decreasing lattice spacing. While the hard-disk system is known to undergo a two-step freezing process with increasing density, the lattice model has been known to show only one transition. Here, based on Monte Carlo simulations and high-density expansions of the free energy and density, we argue that for k = 4,10,11,14,⋯, the lattice model undergoes multiple transitions with increasing density. Using Monte Carlo simulations, we confirm the same for k = 4,...,11. This, in turn, resolves an existing puzzle as to why the 4-NN model has a continuous transition against the expectation of a first-order transition. PMID:25122264
MacNab, Ying C
2016-08-01
This paper concerns with multivariate conditional autoregressive models defined by linear combination of independent or correlated underlying spatial processes. Known as linear models of coregionalization, the method offers a systematic and unified approach for formulating multivariate extensions to a broad range of univariate conditional autoregressive models. The resulting multivariate spatial models represent classes of coregionalized multivariate conditional autoregressive models that enable flexible modelling of multivariate spatial interactions, yielding coregionalization models with symmetric or asymmetric cross-covariances of different spatial variation and smoothness. In the context of multivariate disease mapping, for example, they facilitate borrowing strength both over space and cross variables, allowing for more flexible multivariate spatial smoothing. Specifically, we present a broadened coregionalization framework to include order-dependent, order-free, and order-robust multivariate models; a new class of order-free coregionalized multivariate conditional autoregressives is introduced. We tackle computational challenges and present solutions that are integral for Bayesian analysis of these models. We also discuss two ways of computing deviance information criterion for comparison among competing hierarchical models with or without unidentifiable prior parameters. The models and related methodology are developed in the broad context of modelling multivariate data on spatial lattice and illustrated in the context of multivariate disease mapping. The coregionalization framework and related methods also present a general approach for building spatially structured cross-covariance functions for multivariate geostatistics. PMID:27566769
Yao, Xiaoyan; Dong, Shuai
2016-01-01
The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings. PMID:27229486
NASA Astrophysics Data System (ADS)
Yao, Xiaoyan; Dong, Shuai
2016-05-01
The expanded classical Kitaev-Heisenberg model on a honeycomb lattice is investigated with the next-nearest-neighboring Heisenberg interaction considered. The simulation shows a rich phase diagram with periodic behavior in a wide parameter range. Beside the double 120° ordered phase, an inhomogeneous phase is uncovered to exhibit a topological triple-vortex lattice, corresponding to the hexagonal domain structure of vector chirality, which is stabilized by the mixed frustration of two sources: the geometrical frustration arising from the lattice structure as well as the frustration from the Kitaev couplings.
Saturation field entropies of antiferromagnetic Ising models: Ladders and the kagome lattice
NASA Astrophysics Data System (ADS)
Varma, Vipin Kerala
2013-10-01
Saturation field entropies of antiferromagnetic Ising models on quasi-one-dimensional lattices (ladders) and the kagome lattice are calculated. The former is evaluated exactly by constructing the corresponding transfer matrices, while the latter calculation uses Binder's algorithm for efficiently and exactly computing the partition function of over 1300 spins to give Skag/kB=0.393589(6). We comment on the relation of the kagome lattice to the experimental situation in the spin-ice compound Dy2Ti2O7.
Mazzarella, G.; Giampaolo, S. M.; Illuminati, F.
2006-01-15
For systems of interacting, ultracold spin-zero neutral bosonic atoms, harmonically trapped and subject to an optical lattice potential, we derive an Extended Bose Hubbard (EBH) model by developing a systematic expansion for the Hamiltonian of the system in powers of the lattice parameters and of a scale parameter, the lattice attenuation factor. We identify the dominant terms that need to be retained in realistic experimental conditions, up to nearest-neighbor interactions and nearest-neighbor hoppings conditioned by the on-site occupation numbers. In the mean field approximation, we determine the free energy of the system and study the phase diagram both at zero and at finite temperature. At variance with the standard on site Bose Hubbard model, the zero-temperature phase diagram of the EBH model possesses a dual structure in the Mott insulating regime. Namely, for specific ranges of the lattice parameters, a density wave phase characterizes the system at integer fillings, with domains of alternating mean occupation numbers that are the atomic counterparts of the domains of staggered magnetizations in an antiferromagnetic phase. We show as well that in the EBH model, a zero-temperature quantum phase transition to pair superfluidity is, in principle, possible, but completely suppressed at the lowest order in the lattice attenuation factor. Finally, we determine the possible occurrence of the different phases as a function of the experimentally controllable lattice parameters.
Thermodynamics of the Hubbard model on stacked honeycomb and square lattices
NASA Astrophysics Data System (ADS)
Imriška, Jakub; Gull, Emanuel; Troyer, Matthias
2016-07-01
We present a numerical study of the Hubbard model on simply stacked honeycomb and square lattices, motivated by a recent experimental realization of such models with ultracold atoms in optical lattices. We perform simulations with different interlayer coupling and interaction strengths and obtain Néel transition temperatures and entropies. We provide data for the equation of state to enable comparisons of experiments and theory. We find an enhancement of the short-range correlations in the anisotropic lattices compared to the isotropic cubic lattice, in parameter regimes suitable for the interaction driven adiabatic cooling. Supplementary material in the form of one zip file available from the Jounal web page at http://dx.doi.org/10.1140/epjb/e2016-70146-y
THE critical exponent of the tree lattice generating function in the eden model
NASA Astrophysics Data System (ADS)
Zobov, V. E.
2010-11-01
We consider the increase in the number of trees as their size increases in the Eden growth model on simple and face-centered hypercubic lattices in different space dimensions. We propose a first-order partial differential equation for the tree generating function, which allows relating the exponent at the critical point of this function to the perimeter of the most probable tree. We estimate tree perimeters for the lattices considered. The theoretical values of the exponents agree well with the values previously obtained by computer modeling. We thus explain the closeness of the dimension dependences of the exponents of the simple and face-centered lattices and their difference from the results in the Bethe lattice approximation.
Rice-Mele model with topological solitons in an optical lattice
NASA Astrophysics Data System (ADS)
Przysiężna, Anna; Dutta, Omjyoti; Zakrzewski, Jakub
2015-01-01
Attractive ultracold fermions trapped in a one-dimensional periodically shaken optical lattice are considered. For an appropriate resonant shaking, a dimerized structure emerges for which the system realizes paradigmatic physics described by the Rice-Mele model. The emergent nature of the system together with density fluctuations or controlled modifications of lattice filling allow for the creation of defects. Those defects lead to topologically protected localized modes carrying the fractional particle number. Their possible experimental signatures are discussed.
Geometric modeling and analysis of large latticed surfaces
NASA Technical Reports Server (NTRS)
Nayfeh, A. H.; Hefzy, M. S.
1980-01-01
The application of geometrical schemes, similar to geodesic domes, to large spherical antenna reflectors was investigated. The shape and size of flat segmented latticed surfaces which approximate general shells of revolution, and in particular spherical and paraboloidal reflective surfaces, were determined. The extensive mathematical and computational geometric analyses of the reflector resulted in the development of a general purpose computer program capable of generating the complete design parameters of the dish. The program also includes a graphical self contained subroutine for graphic display of the required design.
Derivation of the lattice Boltzmann model for relativistic hydrodynamics
Mendoza, M.; Herrmann, H. J.; Boghosian, B. M.; Succi, S.
2010-11-15
A detailed derivation of the lattice Boltzmann scheme for relativistic fluids recently proposed in M. Mendoza, B. Boghosian, H. Herrmann, and S. Succi, Phys. Rev. Lett. 105, 014502 (2010) is presented. The method is numerically validated and applied to the case of two quite different relativistic fluid-dynamic problems, namely, shock-wave propagation in quark-gluon plasmas and the impact of a supernova blast wave on massive interstellar clouds. Close to second-order convergence with the grid resolution, as well as linear dependence of computational time on the number of grid points and time steps, are reported.
The S=1 Underscreened Anderson Lattice model for Uranium compounds
NASA Astrophysics Data System (ADS)
Thomas, C.; Simões, A. S. R.; Iglesias, J. R.; Lacroix, C.; Perkins, N. B.; Coqblin, B.
2011-01-01
Magnetic properties of uranium and neptunium compounds showing coexistence of the Kondo effect and ferromagnetic order are investigated within the degenerate Anderson Lattice Hamiltonian, describing a 5f2 electronic configuration with S = 1 spins. Through the Schrieffer-Wolff transformation, both an exchange Kondo interaction for the S = 1 f-spins and an effective f-band term are obtained, allowing to describe the coexistence of Kondo effect and ferromagnetic ordering and a weak delocalization of the 5f-electrons. We calculate the Kondo and Curie temperatures and we can account for the pressure dependence of the Curie temperature of UTe.
Static contact angle in lattice Boltzmann models of immiscible fluids.
Latva-Kokko, M; Rothman, Daniel H
2005-10-01
We study numerically the capillary rise between two horizontal plates and in a rectangular tube, using a lattice Boltzmann (LB) method. We derive an equation for the static fluid-solid contact angle as a function of the wetting tendency of the walls and test its validity. We show that the generalized Laplace law with two independent radii of curvature is followed in capillary rise in rectangular tubes. Our method removes the history dependence of the fluid-solid contact angle that had been present in earlier LB schemes. PMID:16383561
Spectrophotometric Modeling and Mapping of Ceres
NASA Astrophysics Data System (ADS)
Li, Jian-Yang; Le Corre, Lucille; Reddy, Vishnu; Nathues, Andreas; Hoffmann, Martin; Schaefer, Michael; Ciarniello, Mauro; Mottola, Stefano; Schröder, Stefan E.; Raymond, Carol A.; Russell, Christopher T.
2016-04-01
During the rendezvous with Ceres, Dawn Framing Camera (FC) collected images covering a wide range of illumination and viewing geometries of the surface of this inner most dwarf planet through seven color filters from 440 nm to 980 nm and a panchromatic filter. This dataset enables a comprehensive study of the photometric properties of Ceres. Although the overall albedo variation on Ceres is about 15%, many regions 10s km in size or smaller have geometric albedos up to 0.5. The geology on Ceres is highly complex under its highly uncertain and unusual mineralogical composition and water ice content based on the current understanding. The detailed mapping of the photometric properties across the whole surface of Ceres could therefore potentially reveals clues about the composition and geologic processes acting on the surface. Such maps could also be used to perform photometric corrections to imaging data to produce seamless mosaics. The objective of this work is to derive the globally averaged photometric parameters, as well as maps of the fundamental photometric properties of Ceres over all colors covered by the Dawn FC, including albedo, phase function, and roughness. For photometric modeling, we adopted a version of Hapke model, and a Lommel-Seeliger model with a linear-exponential phase function. The globally averaged geometric albedo of Ceres is 0.085±0.005, with a weak dependence on wavelength mimicking Ceres' spectrum. The photometric roughness is 21°±2°, independent of wavelength. The phase function of Ceres shows a slight trend with wavelengths, with decreasing backscattering towards longer wavelength, consistent with phase reddening as previously observed from the ground. Our data do not cover sufficiently small phase angles to allow us to model the opposition parameters. But an estimate of B0=1.77 for the amplitude of opposition and h=0.15 for the width appears to be reasonable. We will also reports the results about photometric property mapping. The
Models for map building and navigation
Penna, M.A.; Jian Wu
1993-09-01
In this paper the authors present several models for solving map building and navigation problems. These models are motivated by biological processes, and presented in the context of artificial neural networks. Since the nodes, weights, and threshold functions of the models all have physical meanings, they can easily predict network topologies and avoid traditional trial-and-error training. On one hand, this makes their models useful in constructing solutions to engineering problems (problems such as those that occur in robotics, for example). On the other hand, this might also contribute to the ability of their models to explain some biological processes, few of which are completely understood at this time.
From Google Maps to Google Models (Invited)
NASA Astrophysics Data System (ADS)
Moore, R. V.
2010-12-01
Why hasn’t integrated modelling taken off? To its advocates, it is self-evidently the best and arguably the only tool available for understanding and predicting the likely response of the environment to events and policies. Legislation requires managers to ensure that their plans are sustainable. How, other than by modelling the interacting processes involved, can the option with the greatest benefits be identified? Integrated modelling (IM) is seen to have huge potential. In science, IM is used to extend and encapsulate our understanding of the whole earth system. Such models are beginning to be incorporated in operational decision support systems and used to seek sustainable solutions to society’s problems, but only on a limited scale. Commercial take up is negligible yet the opportunities would appear limitless. The need is there; the potential is there, so what is inhibiting IM’s take up? What must be done to reap the rewards of the R & D to date? To answer the question, it useful to look back at the developments which have seen paper maps evolve into Google Maps and the systems that now surround it; facilities available not just to experts and governments but to anyone with a an iphone and an internet connection. The initial objective was to automate the process of drawing lines on paper, though it was quickly realised that digitising maps was the key to unlocking the information they held. However, it took thousands of PhD and MSc projects before a computer could generate a map comparable to that produced by a cartographer and many more before it was possible to extract reliable useful information from maps. It also required advances in IT and a change of mindset from one focused on paper map production to one focused on information delivery. To move from digital maps to Google Maps required the availability of data on a world scale, the resources to bring them together, the development of remote sensing, satellite navigation and communications
TOPICAL REVIEW: Statistical mechanics of directed models of polymers in the square lattice
NASA Astrophysics Data System (ADS)
Janse van Rensburg, E. J.
2003-04-01
Directed square lattice models of polymers and vesicles have received considerable attention in the recent mathematical and physical sciences literature. These are idealized geometric directed lattice models introduced to study phase behaviour in polymers, and include Dyck paths, partially directed paths, directed trees and directed vesicles models. Directed models are closely related to models studied in the combinatorics literature (and are often exactly solvable). They are also simplified versions of a number of statistical mechanics models, including the self-avoiding walk, lattice animals and lattice vesicles. The exchange of approaches and ideas between statistical mechanics and combinatorics have considerably advanced the description and understanding of directed lattice models, and this will be explored in this review. The combinatorial nature of directed lattice path models makes a study using generating function approaches most natural. In contrast, the statistical mechanics approach would introduce partition functions and free energies, and then investigate these using the general framework of critical phenomena. Generating function and statistical mechanics approaches are closely related. For example, questions regarding the limiting free energy may be approached by considering the radius of convergence of a generating function, and the scaling properties of thermodynamic quantities are related to the asymptotic properties of the generating function. In this review the methods for obtaining generating functions and determining free energies in directed lattice path models of linear polymers is presented. These methods include decomposition methods leading to functional recursions, as well as the Temperley method (that is implemented by creating a combinatorial object, one slice at a time). A constant term formulation of the generating function will also be reviewed. The thermodynamic features and critical behaviour in models of directed paths may be
Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; Dagotto, Elbio
2015-06-08
Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA) is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 10^{3} sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 10^{4} lattice sites and with some effort on 10^{5} lattice sites, representing the record lattice sizes studied for this family of models.
Mukherjee, Anamitra; Patel, Niravkumar D.; Bishop, Chris; Dagotto, Elbio
2015-06-08
Lattice spin-fermion models are quite important to study correlated systems where quantum dynamics allows for a separation between slow and fast degrees of freedom. The fast degrees of freedom are treated quantum mechanically while the slow variables, generically referred to as the “spins,” are treated classically. At present, exact diagonalization coupled with classical Monte Carlo (ED + MC) is extensively used to solve numerically a general class of lattice spin-fermion problems. In this common setup, the classical variables (spins) are treated via the standard MC method while the fermion problem is solved by exact diagonalization. The “traveling cluster approximation” (TCA)more » is a real space variant of the ED + MC method that allows to solve spin-fermion problems on lattice sizes with up to 103 sites. In this paper, we present a novel reorganization of the TCA algorithm in a manner that can be efficiently parallelized. Finally, this allows us to solve generic spin-fermion models easily on 104 lattice sites and with some effort on 105 lattice sites, representing the record lattice sizes studied for this family of models.« less
Three-level Haldane-like model on a dice optical lattice
NASA Astrophysics Data System (ADS)
Andrijauskas, T.; Anisimovas, E.; RačiÅ«nas, M.; Mekys, A.; Kudriašov, V.; Spielman, I. B.; JuzeliÅ«nas, G.
2015-09-01
We consider ultracold atoms in a two-dimensional optical lattice of the dice geometry in a tight-binding regime. The atoms experience a laser-assisted tunneling between the nearest neighbor sites of the dice lattice accompanied by the momentum recoil. This allows one to engineer staggered synthetic magnetic fluxes over plaquettes, and thus pave a way towards the realization of topologically nontrivial band structures. In such a lattice the real-valued next-nearest neighbor transitions are not needed to reach a topological regime. Yet, such transitions can increase a variety of the obtained topological phases. The dice lattice represents a triangular Bravais lattice with a three-site basis consisting of a hub site connected to two rim sites. As a consequence, the dice lattice supports three energy bands. From this point of view, our model can be interpreted as a generalization of the paradigmatic Haldane model which is reproduced if one of the two rim sublattices is eliminated. We demonstrate that the proposed upgrade of the Haldane model creates a significant added value, including an easy access to topological semimetal phases relying only on the nearest neighbor coupling, as well as enhanced topological band structures featuring Chern numbers higher than one leading to physics beyond the usual quantum Hall effect. The numerical investigation is supported and complemented by an analytical scheme based on the study of singularities in the Berry connection.
Omar, M.S.
2012-11-15
Graphical abstract: Three models are derived to explain the nanoparticles size dependence of mean bonding length, melting temperature and lattice thermal expansion applied on Sn, Si and Au. The following figures are shown as an example for Sn nanoparticles indicates hilly applicable models for nanoparticles radius larger than 3 nm. Highlights: ► A model for a size dependent mean bonding length is derived. ► The size dependent melting point of nanoparticles is modified. ► The bulk model for lattice thermal expansion is successfully used on nanoparticles. -- Abstract: A model, based on the ratio number of surface atoms to that of its internal, is derived to calculate the size dependence of lattice volume of nanoscaled materials. The model is applied to Si, Sn and Au nanoparticles. For Si, that the lattice volume is increases from 20 Å{sup 3} for bulk to 57 Å{sup 3} for a 2 nm size nanocrystals. A model, for calculating melting point of nanoscaled materials, is modified by considering the effect of lattice volume. A good approach of calculating size-dependent melting point begins from the bulk state down to about 2 nm diameter nanoparticle. Both values of lattice volume and melting point obtained for nanosized materials are used to calculate lattice thermal expansion by using a formula applicable for tetrahedral semiconductors. Results for Si, change from 3.7 × 10{sup −6} K{sup −1} for a bulk crystal down to a minimum value of 0.1 × 10{sup −6} K{sup −1} for a 6 nm diameter nanoparticle.
Zhang, J; Nissi, M J; Idiyatullin, D; Michaeli, S; Garwood, M; Ellermann, J
2016-04-01
Rotating frame spin-lattice relaxation, with the characteristic time constant T1ρ , provides a means to access motion-restricted (slow) spin dynamics in MRI. As a result of their restricted motion, these spins are sometimes characterized by a short transverse relaxation time constant T2 and thus can be difficult to detect directly with conventional image acquisition techniques. Here, we introduce an approach for three-dimensional adiabatic T1ρ mapping based on a magnetization-prepared sweep imaging with Fourier transformation (MP-SWIFT) sequence, which captures signal from almost all water spin populations, including the extremely fast relaxing pool. A semi-analytical procedure for T1ρ mapping is described. Experiments on phantoms and musculoskeletal tissue specimens (tendon, articular and epiphyseal cartilages) were performed at 9.4 T for both the MP-SWIFT and fast spin echo (FSE) read outs. In the phantom with liquids having fast molecular tumbling and a single-valued T1ρ time constant, the measured T1ρ values obtained with MP-SWIFT and FSE were similar. Conversely, in normal musculoskeletal tissues, T1ρ values measured with MP-SWIFT were much shorter than the values obtained with FSE. Studies of biological tissue specimens demonstrated that T1ρ -weighted SWIFT provides higher contrast between normal and diseased tissues relative to conventional acquisitions. Adiabatic T1ρ mapping with SWIFT readout captures contributions from the otherwise undetected fast relaxing spins, allowing more informative T1ρ measurements of normal and diseased states. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26811973
Numerical geometry of map and model assessment.
Wriggers, Willy; He, Jing
2015-11-01
We are describing best practices and assessment strategies for the atomic interpretation of cryo-electron microscopy (cryo-EM) maps. Multiscale numerical geometry strategies in the Situs package and in secondary structure detection software are currently evolving due to the recent increases in cryo-EM resolution. Criteria that aim to predict the accuracy of fitted atomic models at low (worse than 8Å) and medium (4-8 Å) resolutions remain challenging. However, a high level of confidence in atomic models can be achieved by combining such criteria. The observed errors are due to map-model discrepancies and due to the effect of imperfect global docking strategies. Extending the earlier motion capture approach developed for flexible fitting, we use simulated fiducials (pseudoatoms) at varying levels of coarse-graining to track the local drift of structural features. We compare three tracking approaches: naïve vector quantization, a smoothly deformable model, and a tessellation of the structure into rigid Voronoi cells, which are fitted using a multi-fragment refinement approach. The lowest error is an upper bound for the (small) discrepancy between the crystal structure and the EM map due to different conditions in their structure determination. When internal features such as secondary structures are visible in medium-resolution EM maps, it is possible to extend the idea of point-based fiducials to more complex geometric representations such as helical axes, strands, and skeletons. We propose quantitative strategies to assess map-model pairs when such secondary structure patterns are prominent. PMID:26416532
NASA Astrophysics Data System (ADS)
Xu, Wen-Sheng; Freed, Karl F.
2015-07-01
The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.
Xu, Wen-Sheng; Freed, Karl F
2015-07-14
The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems. PMID:26178121
Xu, Wen-Sheng; Freed, Karl F.
2015-07-14
The lattice cluster theory (LCT) for the thermodynamics of polymer systems has recently been reformulated to treat strongly interacting self-assembling polymers composed of fully flexible linear telechelic chains [J. Dudowicz and K. F. Freed, J. Chem. Phys. 136, 064902 (2012)]. Here, we further extend the LCT for linear telechelic polymer melts to include a description of chain semiflexibility, which is treated by introducing a bending energy penalty whenever a pair of consecutive bonds from a single chain lies along orthogonal directions. An analytical expression for the Helmholtz free energy is derived for the model of semiflexible linear telechelic polymer melts. The extension provides a theoretical tool for investigating the influence of chain stiffness on the thermodynamics of self-assembling telechelic polymers, and for further exploring the influence of self-assembly on glass formation in such systems.
Lattice-gas models of phase separation: interfaces, phase transitions, and multiphase flow
Rothman, D.H. ); Zaleski, S. )
1994-10-01
Momentum-conserving lattice gases are simple, discrete, microscopic models of fluids. This review describes their hydrodynamics, with particular attention given to the derivation of macroscopic constitutive equations from microscopic dynamics. Lattice-gas models of phase separation receive special emphasis. The current understanding of phase transitions in these momentum-conserving models is reviewed; included in this discussion is a summary of the dynamical properties of interfaces. Because the phase-separation models are microscopically time irreversible, interesting questions are raised about their relationship to real fluid mixtures. Simulation of certain complex-fluid problems, such as multiphase flow through porous media and the interaction of phase transitions with hydrodynamics, is illustrated.
Landslide risk mapping and modeling in China
NASA Astrophysics Data System (ADS)
Li, W.; Hong, Y.
2015-12-01
Under circumstances of global climate change, tectonic stress and human effect, landslides are among the most frequent and severely widespread natural hazards on Earth, as demonstrated in the World Atlas of Natural Hazards (McGuire et al., 2004). Every year, landslide activities cause serious economic loss as well as casualties (Róbert et al., 2005). How landslides can be monitored and predicted is an urgent research topic of the international landslide research community. Particularly, there is a lack of high quality and updated landslide risk maps and guidelines that can be employed to better mitigate and prevent landslide disasters in many emerging regions, including China (Hong, 2007). Since the 1950s, landslide events have been recorded in the statistical yearbooks, newspapers, and monographs in China. As disasters have been increasingly concerned by the government and the public, information about landslide events is becoming available from online news reports (Liu et al., 2012).This study presents multi-scale landslide risk mapping and modeling in China. At the national scale, based on historical data and practical experiences, we carry out landslide susceptibility and risk mapping by adopting a statistical approach and pattern recognition methods to construct empirical models. Over the identified landslide hot-spot areas, we further evaluate the slope-stability for each individual site (Sidle and Hirotaka, 2006), with the ultimate goal to set up a space-time multi-scale coupling system of Landslide risk mapping and modeling for landslide hazard monitoring and early warning.
Agarwala, R.; Batzoglou, S.; Dancik, V.
1997-06-01
We consider the problem of determining the three-dimensional folding of a protein given its one-dimensional amino acid sequence. We use the HP model for protein folding proposed by Dill, which models protein as a chain of amino acid residues that are either hydrophobic or polar, and hydrophobic interactions are the dominant initial driving force for the protein folding. Hart and Istrail gave approximation algorithms for folding proteins on the cubic lattice under HP model. In this paper, we examine the choice of a lattice by considering its algorithmic and geometric implications and argue that triangular lattice is a more reasonable choice. We present a set of folding rules for a triangular lattice and analyze the approximation ratio which they achieve. In addition, we introduce a generalization of the HP model to account for residues having different levels of hydrophobicity. After describing the biological foundation for this generalization, we show that in the new model we are able to achieve similar constant factor approximation guarantees on the triangular lattice as were achieved in the standard HP model. While the structures derived from our folding rules are probably still far from biological reality, we hope that having a set of folding rules with different properties will yield more interesting folds when combined.
Separability of Perturbations Within a Superposition-Based Lattice Physics Model
Maldonado, G. Ivan; Zheng, Jie; Guo, Tong
1999-06-06
A linear superposition model (LSM) was recently implemented within the FORMOSA-L code for the speedy estimation of lattice physics parameters during within-lattice loading optimization. The FORMOSA-L code is essentially a simulated annealing optimization driver that has been coupled to a lattice physics code for the evaluation of objectives and constraints. To date, proof-of-principle research studies have coupled FORMOSA-L to the CPM-2 code; nevertheless future studies are expected to employ more modern lattice physics software. This study specifically focuses on the issue of separability of spatial (i.e., pin movement) and material (i.e., pin loading) perturbations within the context of the LSM and optimization framework within FORMOSA-L. Clearly, the motivation to treat physical shuffles and material perturbations separately is directly related to preserving the accuracy of the LSM evaluations.
NASA Astrophysics Data System (ADS)
Giboudot, Y.; Wolski, A.
2012-04-01
Transfer maps for magnetic components are fundamental to studies of beam dynamics in accelerators. In the work presented here, transfer maps are computed in Taylor form for a particle moving through any specified magnetostatic field by applying an explicit symplectic integrator in a differential algebra code. The techniques developed are illustrated by their application to study the beam dynamics in the electron model for many applications (EMMA), the first nonscaling fixed-field alternating-gradient accelerator ever built. The EMMA lattice has 4 degrees of freedom (strength and transverse position of each of the two quadrupoles in each periodic cell). Transfer maps may be used to predict efficiently the dynamics in any lattice configuration. The transfer map is represented by a mixed variable generating function, obtained by interpolation between the maps for a set of reference configurations: use of mixed variable generating functions ensures the symplecticity of the map. An optimization routine uses the interpolation technique to look for a lattice defined by four constraints on the time of flight at different beam energies. This provides a way to determine the lattice configuration required to produce the desired dynamical characteristics. These tools are benchmarked against data from the recent EMMA commissioning.
A Firefly-Inspired Method for Protein Structure Prediction in Lattice Models
Maher, Brian; Albrecht, Andreas A.; Loomes, Martin; Yang, Xin-She; Steinhöfel, Kathleen
2014-01-01
We introduce a Firefly-inspired algorithmic approach for protein structure prediction over two different lattice models in three-dimensional space. In particular, we consider three-dimensional cubic and three-dimensional face-centred-cubic (FCC) lattices. The underlying energy models are the Hydrophobic-Polar (H-P) model, the Miyazawa–Jernigan (M-J) model and a related matrix model. The implementation of our approach is tested on ten H-P benchmark problems of a length of 48 and ten M-J benchmark problems of a length ranging from 48 until 61. The key complexity parameter we investigate is the total number of objective function evaluations required to achieve the optimum energy values for the H-P model or competitive results in comparison to published values for the M-J model. For H-P instances and cubic lattices, where data for comparison are available, we obtain an average speed-up over eight instances of 2.1, leaving out two extreme values (otherwise, 8.8). For six M-J instances, data for comparison are available for cubic lattices and runs with a population size of 100, where, a priori, the minimum free energy is a termination criterion. The average speed-up over four instances is 1.2 (leaving out two extreme values, otherwise 1.1), which is achieved for a population size of only eight instances. The present study is a test case with initial results for ad hoc parameter settings, with the aim of justifying future research on larger instances within lattice model settings, eventually leading to the ultimate goal of implementations for off-lattice models. PMID:24970205
Thermodynamics of (2+1)-flavor QCD: Confronting models with lattice studies
Schaefer, B.-J.; Wagner, M.; Wambach, J.
2010-04-01
The Polyakov-quark-meson model, which combines chiral as well as deconfinement aspects of strongly interacting matter, is introduced for three light quark flavors. An analysis of the chiral and deconfinement phase transition of the model and its thermodynamics at finite temperatures is given. Three different forms of the effective Polyakov-loop potential are considered. The findings of the 2+1 flavor model investigations are compared to corresponding recent QCD lattice simulations of the RBC-Bielefeld, HotQCD and Wuppertal-Budapest collaborations. The influence of the heavier quark masses, which are used in the lattice calculations, is taken into account. In the transition region the bulk thermodynamics of the Polyakov-quark-meson model agrees well with the lattice data.
Polymer model with annealed dilution on the square lattice: A transfer-matrix study
NASA Astrophysics Data System (ADS)
Serra, Pablo; Stilck, Jürgen F.
1994-02-01
We study a lattice model for equilibrium polymerization with annealed dilution. The model considered is an Ising lattice-gas monomer-solvent system where the polymers are represented by mutually and self-avoiding walks constrained to pass through sites occupied by monomers. Numerical results on the square lattice using transfer-matrix techniques and finite-size scaling are reported. The values obtained for the tricitical exponent νt are in agreement with the tricritical Ising exponent (8/11) for high values of the monomer fugacity, but the accuracy we obtained does not rule out the possibility of νt being equal to the critical self-avoiding-walk (SAW) value 3/4. Our results indicate that a crossover occurs in the tricritical behavior of the model. This crossover corroborates the equivalence between a particular limit of the diluted model and the self-attracting polymer system proposed recently.
Modeling geologic history with balanced paleogeographic maps
Shaw, C.A.; Hay, W.W.
1987-05-01
Using the principles of uniformitarianism, mass balance, and sedimentary cycling, an erosion-sedimentation-tectonic model has been developed to produce paleogeographic maps to describe the geologic history of the northwest Gulf of Mexico and the Western Interior source areas. The initial inputs are (1) boundaries of the sedimentary system (source and sink); (2) present-day average elevation of 1/sup 0/ squares within the boundaries; and (3) a stratigraphic column for each 1/sup 0/ square. Paleotopography is calculated by an iterative process involving replacement of sediment to the source area and calculation of erosion and uplift rates. The maps are considered properly balanced when erosion of the predicted paleotopography over a given time interval yields the correct sediment volumes in the right places. As far back as the latest Cretaceous, the paleogeography predicted by the model is remarkably close to that suggested by other studies even though no external information on tectonics is supplied. For paleogeographies older than Campanian, input on tectonics outside the boundaries is required to generate realistic maps. The balanced paleogeographic maps are a new tool useful for exploring many aspects of basin development, including thermal history.
Mapping the q-voter model: From a single chain to complex networks
NASA Astrophysics Data System (ADS)
Jȩdrzejewski, Arkadiusz; Sznajd-Weron, Katarzyna; Szwabiński, Janusz
2016-03-01
We propose and compare six different ways of mapping the modified q-voter model to complex networks. Considering square lattices, Barabási-Albert, Watts-Strogatz and real Twitter networks, we ask the question if always a particular choice of the group of influence of a fixed size q leads to different behavior at the macroscopic level. Using Monte Carlo simulations we show that the answer depends on the relative average path length of the network and for real-life topologies the differences between the considered mappings may be negligible.
Confronting effective models for deconfinement in dense quark matter with lattice data
NASA Astrophysics Data System (ADS)
Andersen, Jens O.; Brauner, Tomáš; Naylor, William R.
2015-12-01
Ab initio numerical simulations of the thermodynamics of dense quark matter remain a challenge. Apart from the infamous sign problem, lattice methods have to deal with finite volume and discretization effects as well as with the necessity to introduce sources for symmetry-breaking order parameters. We study these artifacts in the Polyakov-loop-extended Nambu-Jona-Lasinio (PNJL) model and compare its predictions to existing lattice data for cold and dense two-color matter with two flavors of Wilson quarks. To achieve even qualitative agreement with lattice data requires the introduction of two novel elements in the model: (i) explicit chiral symmetry breaking in the effective contact four-fermion interaction, referred to as the chiral twist, and (ii) renormalization of the Polyakov loop. The feedback of the dense medium to the gauge sector is modeled by a chemical-potential-dependent scale in the Polyakov-loop potential. In contrast to previously used analytical Ansätze, we determine its dependence on the chemical potential from lattice data for the expectation value of the Polyakov loop. Finally, we propose adding a two-derivative operator to our effective model. This term acts as an additional source of explicit chiral symmetry breaking, mimicking an analogous term in the lattice Wilson action.
2013-01-01
We develop a physiologically-based lattice model for the transport and metabolism of drugs in the functional unit of the liver, called the lobule. In contrast to earlier studies, we have emphasized the dominant role of convection in well-vascularized tissue with a given structure. Estimates of convective, diffusive and reaction contributions are given. We have compared drug concentration levels observed exiting the lobule with their predicted detailed distribution inside the lobule, assuming that most often the former is accessible information while the latter is not. PMID:24007328
Random-field Ising model on isometric lattices: Ground states and non-Porod scattering
NASA Astrophysics Data System (ADS)
Bupathy, Arunkumar; Banerjee, Varsha; Puri, Sanjay
2016-01-01
We use a computationally efficient graph cut method to obtain ground state morphologies of the random-field Ising model (RFIM) on (i) simple cubic (SC), (ii) body-centered cubic (BCC), and (iii) face-centered cubic (FCC) lattices. We determine the critical disorder strength Δc at zero temperature with high accuracy. For the SC lattice, our estimate (Δc=2.278 ±0.002 ) is consistent with earlier reports. For the BCC and FCC lattices, Δc=3.316 ±0.002 and 5.160 ±0.002 , respectively, which are the most accurate estimates in the literature to date. The small-r behavior of the correlation function exhibits a cusp regime characterized by a cusp exponent α signifying fractal interfaces. In the paramagnetic phase, α =0.5 ±0.01 for all three lattices. In the ferromagnetic phase, the cusp exponent shows small variations due to the lattice structure. Consequently, the interfacial energy Ei(L ) for an interface of size L is significantly different for the three lattices. This has important implications for nonequilibrium properties.
NASA Astrophysics Data System (ADS)
Jin, Lin; Auerbach, Scott M.; Monson, Peter A.
2011-04-01
We present an atomic lattice model for studying the polymerization of silicic acid in sol-gel and related processes for synthesizing silica materials. Our model is based on Si and O atoms occupying the sites of a body-centered-cubic lattice, with all atoms arranged in SiO4 tetrahedra. This is the simplest model that allows for variation in the Si-O-Si angle, which is largely responsible for the versatility in silica polymorphs. The model describes the assembly of polymerized silica structures starting from a solution of silicic acid in water at a given concentration and pH. This model can simulate related materials—chalcogenides and clays—by assigning energy penalties to particular ring geometries in the polymerized structures. The simplicity of this approach makes it possible to study the polymerization process to higher degrees of polymerization and larger system sizes than has been possible with previous atomistic models. We have performed Monte Carlo simulations of the model at two concentrations: a low density state similar to that used in the clear solution synthesis of silicalite-1, and a high density state relevant to experiments on silica gel synthesis. For the high concentration system where there are NMR data on the temporal evolution of the Qn distribution, we find that the model gives good agreement with the experimental data. The model captures the basic mechanism of silica polymerization and provides quantitative structural predictions on ring-size distributions in good agreement with x-ray and neutron diffraction data.
The Lunar Mapping and Modeling Project
NASA Technical Reports Server (NTRS)
Nall, M.; French, R.; Noble, S.; Muery, K.
2010-01-01
The Lunar Mapping and Modeling Project (LMMP) is managing a suite of lunar mapping and modeling tools and data products that support lunar exploration activities, including the planning, de-sign, development, test, and operations associated with crewed and/or robotic operations on the lunar surface. Although the project was initiated primarily to serve the needs of the Constellation program, it is equally suited for supporting landing site selection and planning for a variety of robotic missions, including NASA science and/or human precursor missions and commercial missions such as those planned by the Google Lunar X-Prize participants. In addition, LMMP should prove to be a convenient and useful tool for scientific analysis and for education and public out-reach (E/PO) activities.
The Lunar Mapping and Modeling Project
NASA Technical Reports Server (NTRS)
Noble, Sarah K.; French, R. A.; Nall, M. E.; Muery, K. G.
2009-01-01
The Lunar Mapping and Modeling Project (LMMP) has been created to manage the development of a suite of lunar mapping and modeling products that support the Constellation Program (CxP) and other lunar exploration activities, including the planning, design, development, test and operations associated with lunar sortie missions, crewed and robotic operations on the surface, and the establishment of a lunar outpost. The information provided through LMMP will assist CxP in: planning tasks in the areas of landing site evaluation and selection, design and placement of landers and other stationary assets, design of rovers and other mobile assets, developing terrain-relative navigation (TRN) capabilities, and assessment and planning of science traverses.
Another method to compute the thermodynamic Casimir force in lattice models
NASA Astrophysics Data System (ADS)
Hasenbusch, Martin
2009-12-01
We discuss a method that allows us to compute the thermodynamic Casimir force at a given temperature in lattice models by performing a single Monte Carlo simulation. It is analogous to the one used by de Forcrand and co-workers in the study of ‘t Hooft loops and the interface tension in SU(N) lattice gauge models in four dimensions. We test the method at the example of thin films in the XY universality class. In particular we simulate the improved two-component ϕ4 model on the simple cubic lattice. This allows us to compare with our previous study, where we have computed the Casimir force by numerically integrating energy densities over the inverse temperature.
Bose-Einstein quantum phase transition in an optical lattice model
Aizenman, Michael; Lieb, Elliott H.; Seiringer, Robert; Solovej, Jan Philip; Yngvason, Jakob
2004-08-01
Bose-Einstein condensation (BEC) in cold gases can be turned on and off by an external potential, such as that presented by an optical lattice. We present a model of this phenomenon which we are able to analyze rigorously. The system is a hard core lattice gas at half of the maximum density and the optical lattice is modeled by a periodic potential of strength {lambda}. For small {lambda} and temperature, BEC is proved to occur, while at large {lambda} or temperature there is no BEC. At large {lambda} the low-temperature states are in a Mott insulator phase with a characteristic gap that is absent in the BEC phase. The interparticle interaction is essential for this transition, which occurs even in the ground state. Surprisingly, the condensation is always into the p=0 mode in this model, although the density itself has the periodicity of the imposed potential.
Another method to compute the thermodynamic Casimir force in lattice models.
Hasenbusch, Martin
2009-12-01
We discuss a method that allows us to compute the thermodynamic Casimir force at a given temperature in lattice models by performing a single Monte Carlo simulation. It is analogous to the one used by de Forcrand and co-workers in the study of 't Hooft loops and the interface tension in SU(N) lattice gauge models in four dimensions. We test the method at the example of thin films in the XY universality class. In particular we simulate the improved two-component phi4 model on the simple cubic lattice. This allows us to compare with our previous study, where we have computed the Casimir force by numerically integrating energy densities over the inverse temperature. PMID:20365131
Decorated tensor network renormalization for lattice gauge theories and spin foam models
NASA Astrophysics Data System (ADS)
Dittrich, Bianca; Mizera, Sebastian; Steinhaus, Sebastian
2016-05-01
Tensor network techniques have proved to be powerful tools that can be employed to explore the large scale dynamics of lattice systems. Nonetheless, the redundancy of degrees of freedom in lattice gauge theories (and related models) poses a challenge for standard tensor network algorithms. We accommodate for such systems by introducing an additional structure decorating the tensor network. This allows to explicitly preserve the gauge symmetry of the system under coarse graining and straightforwardly interpret the fixed point tensors. We propose and test (for models with finite Abelian groups) a coarse graining algorithm for lattice gauge theories based on decorated tensor networks. We also point out that decorated tensor networks are applicable to other models as well, where they provide the advantage to give immediate access to certain expectation values and correlation functions.
Anomalous diffusion in a quenched-trap model on fractal lattices
NASA Astrophysics Data System (ADS)
Miyaguchi, Tomoshige; Akimoto, Takuma
2015-01-01
Models with mixed origins of anomalous subdiffusion have been considered important for understanding transport in biological systems. Here one such mixed model, the quenched-trap model (QTM) on fractal lattices, is investigated. It is shown that both ensemble- and time-averaged mean-square displacements (MSDs) show subdiffusion with different scaling exponents, i.e., this system shows weak ergodicity breaking. Moreover, time-averaged MSD exhibits aging and converges to a random variable following the modified Mittag-Leffler distribution. It is also shown that the QTM on a fractal lattice cannot be reduced to the continuous-time random walks if the spectral dimension of the fractal lattice is less than 2.
Hagedorn Model of Critical Behavior: Comparison of Lattice and SBM Calculations
NASA Astrophysics Data System (ADS)
Turko, Ludwik
The Statistical Bootstrap Model and the related concept of the limiting temperature began the discussion about phase transitions in the hadronic matter. This was also the origin of the quark-gluon plasma concept. We discuss here to which extent lattice studies of QCD critical behavior at non-zero chemical potential are compatible with the statistical bootstrap model calculations.
A TWO-DIMENSIONAL LATTICE MODEL FOR DESCRIBING THE OPEN CHANNEL FLOW WITH VEGETATION
Technology Transfer Automated Retrieval System (TEKTRAN)
A 2D lattice Boltzmann model (LBM) is proposed for describing the turbulent shallow water flow in a vegetated channel. The flow turbulence is taken into account by means of the standard Smagorinsky subgrid-scale model. The drag stress exerted by the flow on the vegetation as well as the frictional e...
Continuum limit of lattice models with Laughlin-like ground states containing quasiholes
NASA Astrophysics Data System (ADS)
Rodríguez, Iván D.; Nielsen, Anne E. B.
2015-09-01
There has been significant interest in recent years in finding fractional quantum Hall physics in lattice models, but it is not always clear how these models connect to the corresponding models in continuum systems. Here we introduce a family of models that is able to interpolate between a recently proposed set of lattice models with Laughlin-like ground states constructed from conformal field theory and models with ground states that are practically the usual bosonic/fermionic Laughlin states in the continuum. Both the ground state and the Hamiltonian are known analytically, and we find that the Hamiltonian in the continuum limit does not coincide with the usual delta interaction Hamiltonian for the Laughlin states. We introduce quasiholes into the models and show analytically that their braiding properties are as expected if the quasiholes are screened. We demonstrate screening numerically for the 1/3 Laughlin model and find that the quasiholes are slightly smaller in the continuum than in the lattice. Finally, we compute the effective magnetic field felt by the quasiholes and show that it is close to uniform when approaching the continuum limit. The techniques presented here to interpolate between the lattice and the continuum can also be applied to other fractional quantum Hall states that are constructed from conformal field theory.
Agarwala, R.; Batzoglou, S.; Dancik, V.
1997-12-01
A long standing problem in molecular biology is to determine the three-dimensional structure of a protein, given its amino acid sequence. A variety of simplifying models have been proposed abstracting only the {open_quotes}essential physical properties{close_quotes} of real proteins. In these models, the three dimensional space is often represented by a lattice. Residues which are adjacent in the primary sequence (i.e. covalently linked) must be placed at adjacent points in the lattice. A conformation of a protein is simply a self-avoiding walk along the lattice. The protein folding problem STRING-FOLD is that of finding a conformation of the protein sequence on the lattice such that the overall energy is minimized, for some reasonable definition of energy. This formulation leaves open the choices of a lattice and an energy function. Once these choices are made, one may then address the algorithmic complexity of optimizing the energy function for the lattice. For a variety of such simple models, this minimization problem is in fact NP-hard. In this paper, we consider the Hydrophobic-Polar (HP) Model introduced by Dill. The HP model abstracts the problem by grouping the 20 amino acids into two classes: hydrophobic (or non-polar) residues and hydrophilic (or polar) residues. For concreteness, we will take our input to be a string from (H,P){sup +}, where P represents polar residues, and H represents hydrophobic residues. Dill et.al. survey the literature analyzing this model. 8 refs., 2 figs., 1 tab.
Wang-Landau sampling in face-centered-cubic hydrophobic-hydrophilic lattice model proteins
NASA Astrophysics Data System (ADS)
Liu, Jingfa; Song, Beibei; Yao, Yonglei; Xue, Yu; Liu, Wenjie; Liu, Zhaoxia
2014-10-01
Finding the global minimum-energy structure is one of the main problems of protein structure prediction. The face-centered-cubic (fcc) hydrophobic-hydrophilic (HP) lattice model can reach high approximation ratios of real protein structures, so the fcc lattice model is a good choice to predict the protein structures. The lacking of an effective global optimization method is the key obstacle in solving this problem. The Wang-Landau sampling method is especially useful for complex systems with a rough energy landscape and has been successfully applied to solving many optimization problems. We apply the improved Wang-Landau (IWL) sampling method, which incorporates the generation of an initial conformation based on the greedy strategy and the neighborhood strategy based on pull moves into the Wang-Landau sampling method to predict the protein structures on the fcc HP lattice model. Unlike conventional Monte Carlo simulations that generate a probability distribution at a given temperature, the Wang-Landau sampling method can estimate the density of states accurately via a random walk, which produces a flat histogram in energy space. We test 12 general benchmark instances on both two-dimensional and three-dimensional (3D) fcc HP lattice models. The lowest energies by the IWL sampling method are as good as or better than those of other methods in the literature for all instances. We then test five sets of larger-scale instances, denoted by the S, R, F90, F180, and CASP target instances on the 3D fcc HP lattice model. The numerical results show that our algorithm performs better than the other five methods in the literature on both the lowest energies and the average lowest energies in all runs. The IWL sampling method turns out to be a powerful tool to study the structure prediction of the fcc HP lattice model proteins.
NASA Astrophysics Data System (ADS)
Abdelaziz, Ramadan; Sussumu Komori, Fabio
2015-04-01
Recently, Lattice Boltzmann Modelling (LBM) techniques attract many scientists in various fields of research. This work shows the capability for LBM to simulate the fluid flow and solute transport in porous and fracture media, additionally, how to study behavior of nanofluids submitted to a temperature gradient, which it is an important process in natural aquatic environments, water treatment, and other water related technologies. LBSim is used in this work as Lattice Boltzmann Model simulator software. In this article, a series of cases using the lattice Boltzmann method are presented, showing the capability of the method in simulating phenomena with fluid flow and heat transfer in porous media. Results show that the lattice Boltzmann method delivers reliable and helpful simulations for the analyses of processes in water related technologies. Thus, LBSim is a recommended tool for simulating fluid flow at laminar and turbulent condition, and heat and mass transport under complex geometry and boundary condition. parameter values. Keywords: Lattice Boltzmann Model, LBSim, Fractures Media, Porous Media, nanofluids
Experimental realization of the ionic Hubbard model on a honeycomb lattice with ultracold fermions
NASA Astrophysics Data System (ADS)
Desbuquois, Rémi; Messer, Michael; Uehlinger, Thomas; Jotzu, Gregor; Görg, Frederik; Greif, Daniel; Huber, Sebastian; Esslinger, Tilman
2016-05-01
Ultracold atoms in optical lattices constitute a tool of choice to realize the Fermi-Hubbard model. There, the on-site interaction energy opens a gap in the charge excitation spectrum, leading to a Mott insulating ground state. However, in the ionic Hubbard model, the addition of a staggered energy offset on each lattice site also leads to an insulating ground state with charge-density-wave ordering, even in the absence of inter-particle interactions. In our experiment we realize the Ionic Hubbard model on a honeycomb lattice by loading a two-component interacting Fermi gas into an optical lattice with a staggered energy offset on alternating sites. The underlying density order of the ground state is revealed through the correlations in the noise of the measured momentum distribution. For a large energy offset, we observe a charge density-wave ordering, which is suppressed as the on-site interactions are increased. To further elucidate the nature of the ground state, we measure the double occupancy of lattice sites and the charge excitation spectrum for a wide range of parameters.
Lattice Boltzmann Modeling of Micro-fluidic Devices
Clague, D S
2002-01-28
The results to date do indeed show that the lattice Boltzmann method accurately solves relevant, non-trivial flow problems. The parallelization of both the fluid and the mobile species in flow has enhanced this capability such that it is useful for solving relevant problems in a timely fashion. The initial studies of stationary or capture species revealed evidence of hydrodynamic screening between upstream and downstream particles. Numerical studies reveal that the critical length for which the test particle is hydrodynamically decoupled from upstream and downstream particles is on the order of 30 sphere radii. For mobile species, the LB capability was shown to be naturally suited for predicting the hydrodynamic lift phenomenon (inertial lift). A conversion factor was developed based on scaling arguments to include relevant forces generated by external fields. Using this conversion, an analytic solution for the Dielectrophoretic force was included into the LB capability which enabled the study of Dielectrophoretic particle capture. The Non-Newtonian enhancements have expanded the applicability of the LB capability to more physical systems. Specifically, with the bead-n-spring representation of macromolecules researchers will be able to study chain dynamics in micro-, physiological and Bio-MEMS environments. Furthermore, the ability to capture the shear thinning behavior, without any increase in computational time, positions this capability to be applied to a whole host of new problems involving biofluids.
Chiavazzo, Eliodoro; Karlin, Iliya V.; Gorban, Alexander N.; Boulouchos, Konstantinos
2010-10-15
A new framework of simulation of reactive flows is proposed based on a coupling between accurate reduced reaction mechanism and the lattice Boltzmann representation of the flow phenomena. The model reduction is developed in the setting of slow invariant manifold construction, and the simplest lattice Boltzmann equation is used in order to work out the procedure of coupling of the reduced model with the flow solver. Practical details of constructing slow invariant manifolds of a reaction system under various thermodynamic conditions are reported. The proposed method is validated with the two-dimensional simulation of a premixed counterflow flame in the hydrogen-air mixture. (author)
One-dimensional crystal growth model on a square lattice substrate
NASA Astrophysics Data System (ADS)
Cheng, Yi; Lu, Chenxi; Yang, Bo; Tao, Xiangming; Wang, Jianfeng; Ye, Gaoxiang
2016-08-01
A one-dimensional crystal growth model along the preferential growth direction is established. The simulation model is performed on a square lattice substrate. First, particles are deposited homogeneously and, as a result, each of the lattice sites is occupied by one particle. In the subsequent stage, N nuclei are selected randomly on the substrate, then the growth process starts by adsorbing the surrounding particles along the preferential growth directions of the crystals. Finally, various one-dimensional crystals with different length and width form. The simulation results are in good agreement with the experimental findings.
Potts model on directed small-world Voronoi-Delaunay lattices
NASA Astrophysics Data System (ADS)
Marques, R. M.; Lima, F. W. S.; Costa Filho, Raimundo N.
2016-06-01
The critical properties of the Potts model with q = 3 and 4 states in two-dimensions on directed small-world Voronoi-Delaunay random lattices with quenched connectivity disorder are investigated. This disordered system is simulated by applying the Monte Carlo update heat bath algorithm. The Potts model on these directed small-world random lattices presents in fact a second-order phase transition with new critical exponents for q = 3 and value of the rewiring probability p = 0.01, but for q = 4 the system exhibits only a first-order phase transition independent of p (0 < p < 1).
Phase behavior of a simple lattice model with a two-scale repulsive interaction
NASA Astrophysics Data System (ADS)
Høye, J. S.; Lomba, E.
2008-07-01
The properties of a simple one-dimensional lattice model with two repulsive ranges are studied in terms of its analytic solution. Its phase behavior is characterized by the presence of a disorder-order-disorder transition (or a fluid-solid-fluid transition in lattice gas language). A similar situation was discussed by Hemmer and Stell [Phys. Rev. Lett. 24, 1284 (1970)] when considering the purely repulsive version of their ramp potential. The melting of the solid phase, when pressure is increased along an isotherm, is a feature common to both models and one of the characteristic features of water.
Revised lattice Boltzmann model for traffic flow with equilibrium traffic pressure
NASA Astrophysics Data System (ADS)
Shi, Wei; Lu, Wei-Zhen; Xue, Yu; He, Hong-Di
2016-02-01
A revised lattice Boltzmann model concerning the equilibrium traffic pressure is proposed in this study to tackle the phase transition phenomena of traffic flow system. The traditional lattice Boltzmann model has limitation to investigate the complex traffic phase transitions due to its difficulty for modeling the equilibrium velocity distribution. Concerning this drawback, the equilibrium traffic pressure is taken into account to derive the equilibrium velocity distribution in the revised lattice Boltzmann model. In the proposed model, a three-dimensional velocity-space is assumed to determine the equilibrium velocity distribution functions and an alternative, new derivative approach is introduced to deduct the macroscopic equations with the first-order accuracy level from the lattice Boltzmann model. Based on the linear stability theory, the stability conditions of the corresponding macroscopic equations can be obtained. The outputs indicate that the stability curve is divided into three regions, i.e., the stable region, the neutral stability region, and the unstable region. In the stable region, small disturbance appears in the initial uniform flow and will vanish after long term evolution, while in the unstable region, the disturbance will be enlarged and finally leads to the traffic system entering the congested state. In the neutral stability region, small disturbance does not vanish with time and maintains its amplitude in the traffic system. Conclusively, the stability of traffic system is found to be enhanced as the equilibrium traffic pressure increases. Finally, the numerical outputs of the proposed model are found to be consistent with the recognized, theoretical results.
The Penna model for biological ageing on a lattice: spatial consequences of child-care
NASA Astrophysics Data System (ADS)
Sousa, A. O.; Moss de Oliveira, S.
We introduce a square lattice into the Penna bit-string model for biological ageing and study the evolution of the spatial distribution of the population considering different strategies of child-care. Two of the strategies are related to the movements of a whole family on the lattice: in one case the mother cannot move if she has any child younger than a given age, and in the other case if she moves, she brings these young children with her. A stronger condition has also been added to the second case, considering that young children die with a higher probability if their mothers die, this probability decreasing with age. We show that a highly non uniform occupation can be obtained when child-care is considered, even for an uniform initial occupation per site. We also compare the standard survival rate of the model with that obtained when the spacial lattice is considered (without any kind of child-care).
Phase Diagram of the Frustrated Square-Lattice Hubbard Model: Variational Cluster Approach
NASA Astrophysics Data System (ADS)
Misumi, Kazuma; Kaneko, Tatsuya; Ohta, Yukinori
2016-06-01
The variational cluster approximation is used to study the frustrated Hubbard model at half filling defined on the two-dimensional square lattice with anisotropic next-nearest-neighbor hopping parameters. We calculate the ground-state phase diagrams of the model in a wide parameter space for a variety of lattice geometries, including square, crossed-square, and triangular lattices. We examine the Mott metal-insulator transition and show that, in the Mott insulating phase, magnetic phases with Néel, collinear, and spiral orders appear in relevant parameter regions, and in an intermediate region between these phases, a nonmagnetic insulating phase caused by the quantum fluctuations in the geometrically frustrated spin degrees of freedom emerges.
Nontrivial ferrimagnetism of the Heisenberg model on the Union Jack strip lattice
NASA Astrophysics Data System (ADS)
Shimokawa, Tokuro; Nakano, Hiroki
2013-08-01
We study the ground-state properties of the S = 1/2 antiferromagnetic Heisenberg model on the Union Jack strip lattice by using the exact-diagonalization and density matrix renormalization group methods. We confirm a region of a magnetization state intermediate between the Néel-like spin liquid state and the conventional ferrimagnetic state of a Lieb-Mattis type. In the intermediate state, we find that the spontaneous magnetization changes gradually with respect to the strength of the inner interaction. In addition, the local magnetization clearly shows an incommensurate modulation with long-distance periodicity in the intermediate magnetization state. These characteristic behaviors lead to the conclusion that the intermediate magnetization state is a non-Lieb-Mattis ferrimagnetic one. We also discuss the relationship between the ground-state properties of the S = 1/2 antiferromagnetic Heisenberg model on the original Union Jack lattice and those on our strip lattice.
Free-energy analysis of spin models on hyperbolic lattice geometries
NASA Astrophysics Data System (ADS)
Serina, Marcel; Genzor, Jozef; Lee, Yoju; Gendiar, Andrej
2016-04-01
We investigate relations between spatial properties of the free energy and the radius of Gaussian curvature of the underlying curved lattice geometries. For this purpose we derive recurrence relations for the analysis of the free energy normalized per lattice site of various multistate spin models in the thermal equilibrium on distinct non-Euclidean surface lattices of the infinite sizes. Whereas the free energy is calculated numerically by means of the corner transfer matrix renormalization group algorithm, the radius of curvature has an analytic expression. Two tasks are considered in this work. First, we search for such a lattice geometry, which minimizes the free energy per site. We conjecture that the only Euclidean flat geometry results in the minimal free energy per site regardless of the spin model. Second, the relations among the free energy, the radius of curvature, and the phase transition temperatures are analyzed. We found out that both the free energy and the phase transition temperature inherit the structure of the lattice geometry and asymptotically approach the profile of the Gaussian radius of curvature. This achievement opens new perspectives in the AdS-CFT correspondence theories.
Lattice model theory of the equation of state covering the gas, liquid, and solid phases
NASA Technical Reports Server (NTRS)
Bonavito, N. L.; Tanaka, T.; Chan, E. M.; Horiguchi, T.; Foreman, J. C.
1975-01-01
The three stable states of matter and the corresponding phase transitions were obtained with a single model. Patterned after Lennard-Jones and Devonshires's theory, a simple cubic lattice model containing two fcc sublattices (alpha and beta) is adopted. The interatomic potential is taken to be the Lennard-Jones (6-12) potential. Employing the cluster variation method, the Weiss and the pair approximations on the lattice gas failed to give the correct phase diagrams. Hybrid approximations were devised to describe the lattice term in the free energy. A lattice vibration term corresponding to a free volume correction is included semi-phenomenologically. The combinations of the lattice part and the free volume part yield the three states and the proper phase diagrams. To determine the coexistence regions, the equalities of the pressure and Gibbs free energy per molecule of the coexisting phases were utilized. The ordered branch of the free energy gives rise to the solid phase while the disordered branch yields the gas and liquid phases. It is observed that the triple point and the critical point quantities, the phase diagrams and the coexistence regions plotted are in good agreement with the experimental values and graphs for argon.
The Lattice Schwinger Model: Confinement, Anomalies, Chiral Fermions and All That
Melnikov, Kirill
2000-04-24
In order to better understand what to expect from numerical CORE computations for two-dimensional massless QED (the Schwinger model) the authors wish to obtain some analytic control over the approach to the continuum limit for various choices of fermion derivative. To this end they study the Hamiltonian formulation of the lattice Schwinger model (i.e., the theory on the spatial lattice with continuous time) in A{sub 0} = 0 gauge. They begin with a discussion of the solution of the Hamilton equations of motion in the continuum, they 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. They 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.
NASA Astrophysics Data System (ADS)
Kizilirmak, Ganimet Mülazımoğlu
2015-12-01
The four-dimensional Ising model is simulated on the Creutz cellular automaton (CCA) near the infinite-lattice critical temperature for the lattice with the linear dimension 4 ⩽ L ⩽ 22. The temperature dependence of Binder parameter ( g L) are analyzed for the lattice with the linear dimension 4 ⩽ L ⩽ 22. In this study conducted highly detailed, two different types of behavior were determined as a result of varying linear lattice dimension. The infinite lattice critical temperatures are obtained to be T c = 6.6845 ± 0.0005 in interval 4 ⩽ L ⩽ 12 and T c = 6.6807 ± 0.0024 in interval 14 ⩽ L ⩽ 22. The finite and infinite lattice critical exponents for the order parameter, the magnetic susceptibility and the specific heat are computed from the results of simulations by using finite-size scaling relations. Critical linear lattice size have been identified as L = 14.
Regularized lattice Boltzmann model for a class of convection-diffusion equations.
Wang, Lei; Shi, Baochang; Chai, Zhenhua
2015-10-01
In this paper, a regularized lattice Boltzmann model for a class of nonlinear convection-diffusion equations with variable coefficients is proposed. The main idea of the present model is to introduce a set of precollision distribution functions that are defined only in terms of macroscopic moments. The Chapman-Enskog analysis shows that the nonlinear convection-diffusion equations can be recovered correctly. Numerical tests, including Fokker-Planck equations, Buckley-Leverett equation with discontinuous initial function, nonlinear convection-diffusion equation with anisotropic diffusion, are carried out to validate the present model, and the results show that the present model is more accurate than some available lattice Boltzmann models. It is also demonstrated that the present model is more stable than the traditional single-relaxation-time model for the nonlinear convection-diffusion equations. PMID:26565368
How to approach continuum physics in the lattice Weinberg-Salam model
Zubkov, M. A.
2010-11-01
We investigate the lattice Weinberg-Salam model without fermions numerically for the realistic choice of coupling constants correspondent to the value of the Weinberg angle {theta}{sub W{approx}}30 deg., and bare fine structure constant around {alpha}{approx}(1/150). We consider the values of the scalar self-coupling corresponding to Higgs mass M{sub H{approx}}100, 150, 270 GeV. It has been found that nonperturbative effects become important while approaching continuum physics within the lattice model. When the ultraviolet cutoff {Lambda}=({pi}/a) (where a is the lattice spacing) is increased and achieves the value around 1 TeV, one encounters the fluctuational region (on the phase diagram of the lattice model), where the fluctuations of the scalar field become strong. The classical Nambu monopole can be considered as an embryo of the unphysical symmetric phase within the physical phase. In the fluctuational region quantum Nambu monopoles are dense, and therefore, the use of the perturbation expansion around the trivial vacuum in this region is limited. Further increase of the cutoff is accompanied by a transition to the region of the phase diagram, where the scalar field is not condensed (this happens at the value of {Lambda} around 1.4 TeV for the considered lattice sizes). Within this region further increase of the cutoff is possible, although we do not observe this in detail due to the strong fluctuations of the gauge boson correlator. Both above mentioned regions look unphysical. Therefore we come to the conclusion that the maximal value of the cutoff admitted within lattice electroweak theory cannot exceed the value of the order of 1 TeV.
A phase-field model coupled with lattice kinetics solver for modeling crystal growth in furnaces
Lin, Guang; Bao, Jie; Xu, Zhijie; Tartakovsky, Alexandre M.; Henager, Charles H.
2014-02-02
In this study, we present a new numerical model for crystal growth in a vertical solidification system. This model takes into account the buoyancy induced convective flow and its effect on the crystal growth process. The evolution of the crystal growth interface is simulated using the phase-field method. Two novel phase-field models are developed to model the crystal growth interface in vertical gradient furnaces with two temperature profile setups: 1) fixed wall temperature profile setup and 2) time-dependent temperature profile setup. A semi-implicit lattice kinetics solver based on the Boltzmann equation is employed to model the unsteady incompressible flow. This model is used to investigate the effect of furnace operational conditions on crystal growth interface profiles and growth velocities. For a simple case of macroscopic radial growth, the phase-field model is validated against an analytical solution. Crystal growth in vertical gradient furnaces with two temperature profile setups have been also investigated using the developed model. The numerical simulations reveal that for a certain set of temperature boundary conditions, the heat transport in the melt near the phase interface is diffusion dominant and advection is suppressed.
Supersymmetric multicritical point in a model of lattice fermions
NASA Astrophysics Data System (ADS)
Bauer, Bela; Huijse, Liza; Berg, Erez; Troyer, Matthias; Schoutens, Kareljan
2013-04-01
We study a model of spinless fermions with infinite nearest-neighbor repulsion on the square ladder, which has microscopic supersymmetry. It has been conjectured that in the continuum, the model is described by the superconformal minimal model with central charge c=3/2. Thus far, it has not been possible to confirm this conjecture due to strong finite-size corrections in numerical data. We trace the origin of these corrections to the presence of unusual marginal operators that break Lorentz invariance but preserve part of the supersymmetry. By relying mostly on entanglement entropy calculations with the density-matrix renormalization group, we are able to reduce finite-size effects significantly. This allows us to unambiguously determine the continuum theory of the model. We also study perturbations of the model and establish that the supersymmetric model is a multicritical point. Our work underlines the power of entanglement entropy as a probe of the phases of quantum many-body systems.
Surface growth on diluted lattices by a restricted solid-on-solid model.
Lee, Changhan; Lee, Sang Bub
2009-08-01
An influence of diluted sites on surface growth has been investigated, using the restricted solid-on-solid model. It was found that, with respect to equilibrium growth, the surface width and the saturated width exhibited universal power-law behaviors, i.e., W approximately t(beta) and W(sat) approximately L(zeta), regarding all cases with respect to the concentration of diluted sites x=1-p , with p being the occupation probability on each lattice site. For x < x(c) (=1-p(c), p(c) being the percolation threshold), the growth appeared to be similar to that of a regular lattice, both in two and three dimensions. For x=x(c), the growth yielded nontrivial exponents which were different from those on a regular lattice. In nonequilibrium growth, a considerable amount of diluted sites (x < or = x(c)) appeared to yield nonuniversal growth, unlike the case of a regular lattice. The cause of nonuniversal growth dynamics has been investigated, considering the growth on a backbone cluster and on lattices constructed with periodically and randomly diluted subcells. PMID:19792104
Response to dynamical modulation of the optical lattice for fermions in the Hubbard model
Xu Zhaoxin; Yang Shuxiang; Sheehy, Daniel E.; Moreno, Juana; Jarrell, Mark; Chiesa, Simone; Su Shiquan; Scalettar, Richard T.
2011-08-15
Fermionic atoms in a periodic optical lattice provide a realization of the single-band Hubbard model. Using quantum Monte Carlo simulations along with the maximum-entropy method, we evaluate the effect of a time-dependent perturbative modulation of the optical lattice amplitude on atomic correlations, revealed in the fraction of doubly occupied sites. We find that the effect of modulation depends strongly on the filling--the response of the double occupation is significantly different in the half-filled Mott insulator from that in the doped Fermi liquid region.
Height probabilities in the Abelian sandpile model on the generalized finite Bethe lattice
NASA Astrophysics Data System (ADS)
Chen, Haiyan; Zhang, Fuji
2013-08-01
In this paper, we study the sandpile model on the generalized finite Bethe lattice with a particular boundary condition. Using a combinatorial method, we give the exact expressions for all single-site probabilities and some two-site joint probabilities. As a by-product, we prove that the height probabilities of bulk vertices are all the same for the Bethe lattice with certain given boundary condition, which was found from numerical evidence by Grassberger and Manna ["Some more sandpiles," J. Phys. (France) 51, 1077-1098 (1990)], 10.1051/jphys:0199000510110107700 but without a proof.
Exact results for the site-dilute antiferromagnetic Ising model on finite triangular lattices
NASA Astrophysics Data System (ADS)
Farach, H. A.; Creswick, R. J.; Poole, C. P., Jr.
1988-04-01
Exact analytical and numerical results for the site-diluted antiferromagnetic Ising model on the triangular lattice (AFIT) are presented. For infinitesimal dilution the change in the free energy of the system is related to the distribution of local fields, and it is shown that for a frustrated system such as the AFIT, dilution lowers the entropy per spin. For lattices of finite size and dilution the transfer matrix for the partition function is evaluated numerically. The entropy per spin shows a marked minimum near a concentration of spins x=0.70, in some disagreement with earlier transfer-matrix results.
Lattice Boltzmann model for Coulomb-driven flows in dielectric liquids
NASA Astrophysics Data System (ADS)
Luo, Kang; Wu, Jian; Yi, Hong-Liang; Tan, He-Ping
2016-02-01
In this paper, we developed a unified lattice Boltzmann model (LBM) to simulate electroconvection in a dielectric liquid induced by unipolar charge injection. Instead of solving the complex set of coupled Navier-Stokes equations, the charge conservation equation, and the Poisson equation of electric potential, three consistent lattice Boltzmann equations are formulated. Numerical results are presented for both strong and weak injection regimes, and different scenarios for the onset and evolution of instability, bifurcation, and chaos are tracked. All LBM results are found to be highly consistent with the analytical solutions and other numerical work.
Lattice Boltzmann model for Coulomb-driven flows in dielectric liquids.
Luo, Kang; Wu, Jian; Yi, Hong-Liang; Tan, He-Ping
2016-02-01
In this paper, we developed a unified lattice Boltzmann model (LBM) to simulate electroconvection in a dielectric liquid induced by unipolar charge injection. Instead of solving the complex set of coupled Navier-Stokes equations, the charge conservation equation, and the Poisson equation of electric potential, three consistent lattice Boltzmann equations are formulated. Numerical results are presented for both strong and weak injection regimes, and different scenarios for the onset and evolution of instability, bifurcation, and chaos are tracked. All LBM results are found to be highly consistent with the analytical solutions and other numerical work. PMID:26986441
Coupled cluster expansions for the massive Schwinger model in the lattice Hamiltonian formalism
Fang, Xi-Yan; Schutte, D.; Wethkamp, V.; Wichmann, A.
2001-07-01
The coupled cluster method is used to study the lattice massive Schwinger model with staggered fermions. The vacuum energy and mass gaps are calculated. Good agreement is found between these calculations, the exact results in the continuum limit, and the results obtained by other approximation methods.
"Pull moves" for rectangular lattice polymer models are not fully reversible.
Györffy, Dániel; Závodszky, Péter; Szilágyi, András
2012-01-01
"Pull moves" is a popular move set for lattice polymer model simulations. We show that the proof given for its reversibility earlier is flawed, and some moves are irreversible, which leads to biases in the parameters estimated from the simulations. We show how to make the move set fully reversible. PMID:23221093
Protein folding in hydrophobic-polar lattice model: a flexible ant-colony optimization approach.
Hu, Xiao-Min; Zhang, Jun; Xiao, Jing; Li, Yun
2008-01-01
This paper proposes a flexible ant colony (FAC) algorithm for solving protein folding problems based on the hydrophobic-polar square lattice model. Collaborations of novel pheromone and heuristic strategies in the proposed algorithm make it more effective in predicting structures of proteins compared with other state-of-the-art algorithms. PMID:18537736
Energy landscape and dynamics of proteins: An exact analysis of a simplified lattice model
NASA Astrophysics Data System (ADS)
Cieplak, Marek; Banavar, Jayanth R.
2013-10-01
We present the results of exact numerical studies of the energy landscape and the dynamics of a 12-monomer chain with contact interactions encoding the ground state on a square lattice. In spite of its simplicity, the model is shown to exhibit behavior at odds with the standard picture of proteins.
Energy landscape and dynamics of proteins: an exact analysis of a simplified lattice model.
Cieplak, Marek; Banavar, Jayanth R
2013-10-01
We present the results of exact numerical studies of the energy landscape and the dynamics of a 12-monomer chain with contact interactions encoding the ground state on a square lattice. In spite of its simplicity, the model is shown to exhibit behavior at odds with the standard picture of proteins. PMID:24229101
An alternative order-parameter for non-equilibrium generalized spin models on honeycomb lattices
NASA Astrophysics Data System (ADS)
Sastre, Francisco; Henkel, Malte
2016-04-01
An alternative definition for the order-parameter is proposed, for a family of non-equilibrium spin models with up-down symmetry on honeycomb lattices, and which depends on two parameters. In contrast to the usual definition, our proposal takes into account that each site of the lattice can be associated with a local temperature which depends on the local environment of each site. Using the generalised voter motel as a test case, we analyse the phase diagram and the critical exponents in the stationary state and compare the results of the standard order-parameter with the ones following from our new proposal, on the honeycomb lattice. The stationary phase transition is in the Ising universality class. Finite-size corrections are also studied and the Wegner exponent is estimated as ω =1.06(9).
Apparently noninvariant terms of nonlinear sigma models in lattice perturbation theory
Harada, Koji; Hattori, Nozomu; Kubo, Hirofumi; Yamamoto, Yuki
2009-03-15
Apparently noninvariant terms (ANTs) that appear in loop diagrams for nonlinear sigma models are revisited in lattice perturbation theory. The calculations have been done mostly with dimensional regularization so far. In order to establish that the existence of ANTs is independent of the regularization scheme, and of the potential ambiguities in the definition of the Jacobian of the change of integration variables from group elements to 'pion' fields, we employ lattice regularization, in which everything (including the Jacobian) is well defined. We show explicitly that lattice perturbation theory produces ANTs in the four-point functions of the pion fields at one-loop and the Jacobian does not play an important role in generating ANTs.
Lattice models and integrability: a special issue in honour of F Y Wu
NASA Astrophysics Data System (ADS)
Guttmann, A. J.; Jacobsen, J. L.
2012-12-01
in this issue by Duminil-Copin to prove the divergence of the correlation length for the Potts model (in its formulation in terms of Fortuin-Kasteleyn clusters) when 1 <= q <= 4 [48]. Establishing the phase diagrams of lattice models is a recurrent theme in Wu's works. In an interesting but little-known work from 2000 with Guo and Blöte [30], he has shown that, contrary to common belief, the O(n) model on the honeycomb lattice has a second-order phase transition for n > 2. The question of phase diagrams for O(n)-type models is taken up in this issue by Blöte, Wang and Guo8 [49]. In 1983-84, Wu joined the National Science Foundation as the Director of the Condensed Matter Theory Program for 18 months. His duty was managing funding to individual researchers in condensed matter theory in the US. The 18-month tour in Washington offered Wu a bird's-eye view of condensed matter physics research in US universities, an understanding that proved useful to his later researches. Throughout his career, Wu has insisted on the general applicability of graphical analysis to a variety of lattices. This aspect was highlighted in his 1988 paper on the Potts model and graph theory [31], in which he derived a number of equivalences with (di)chromatic and flow polynomials on arbitrary planar graphs, both for the partition function and correlation functions. An earlier result in the same vein is the equivalence of the Potts model on a planar graph with a loop model on the corresponding medial graph, found in 1976 in collaboration with Baxter and Kelland [15]. Building on these results, and on recent progress in the combinatorial approach to planar maps, Borot, Bouttier and Guitter systematically investigate properties of percolation and Potts models on random planar maps in their contribution to this issue [50]. Wu has published extensively on dimer enumerations. His work includes exact enumerations on non-orientable surfaces and surfaces with a single boundary defect. In this issue, Lu
Lattice Gas and Thermodynamics in Models of Heredity
NASA Astrophysics Data System (ADS)
Ganikhodjaev, Nasir
Quadratic stochastic operators frequently arise in many models of mathematical genetics. We propose a constructive description of quadratic stochastic operators that allows a natural introduction of thermodynamics in studying some models of heredity. This construction allows one to elucidate the role of the absolute temperature in the analysis of quadratic stochastic operators.
Interacting damage models mapped onto ising and percolation models
Toussaint, Renaud; Pride, Steven R.
2004-03-23
The authors introduce a class of damage models on regular lattices with isotropic interactions between the broken cells of the lattice. Quasistatic fiber bundles are an example. The interactions are assumed to be weak, in the sense that the stress perturbation from a broken cell is much smaller than the mean stress in the system. The system starts intact with a surface-energy threshold required to break any cell sampled from an uncorrelated quenched-disorder distribution. The evolution of this heterogeneous system is ruled by Griffith's principle which states that a cell breaks when the release in potential (elastic) energy in the system exceeds the surface-energy barrier necessary to break the cell. By direct integration over all possible realizations of the quenched disorder, they obtain the probability distribution of each damage configuration at any level of the imposed external deformation. They demonstrate an isomorphism between the distributions so obtained and standard generalized Ising models, in which the coupling constants and effective temperature in the Ising model are functions of the nature of the quenched-disorder distribution and the extent of accumulated damage. In particular, they show that damage models with global load sharing are isomorphic to standard percolation theory, that damage models with local load sharing rule are isomorphic to the standard ising model, and draw consequences thereof for the universality class and behavior of the autocorrelation length of the breakdown transitions corresponding to these models. they also treat damage models having more general power-law interactions, and classify the breakdown process as a function of the power-law interaction exponent. Last, they also show that the probability distribution over configurations is a maximum of Shannon's entropy under some specific constraints related to the energetic balance of the fracture process, which firmly relates this type of quenched-disorder based damage model
Interacting damage models mapped onto Ising and percolation models.
Toussaint, Renaud; Pride, Steven R
2005-04-01
We introduce a class of damage models on regular lattices with isotropic interactions between the broken cells of the lattice. Quasi-static fiber bundles are an example. The interactions are assumed to be weak, in the sense that the stress perturbation from a broken cell is much smaller than the mean stress in the system. The system starts intact with a surface-energy threshold required to break any cell sampled from an uncorrelated quenched-disorder distribution. The evolution of this heterogeneous system is ruled by Griffith's principle which states that a cell breaks when the release in potential (elastic) energy in the system exceeds the surface-energy barrier necessary to break the cell. By direct integration over all possible realizations of the quenched disorder, we obtain the probability distribution of each damage configuration at any level of the imposed external deformation. We demonstrate an isomorphism between the distributions so obtained and standard generalized Ising models, in which the coupling constants and effective temperature in the Ising model are functions of the nature of the quenched-disorder distribution and the extent of accumulated damage. In particular, we show that damage models with global load sharing are isomorphic to standard percolation theory and that damage models with a local load sharing rule are isomorphic to the standard Ising model, and draw consequences thereof for the universality class and behavior of the autocorrelation length of the breakdown transitions corresponding to these models. We also treat damage models having more general power-law interactions, and classify the breakdown process as a function of the power-law interaction exponent. Last, we also show that the probability distribution over configurations is a maximum of Shannon's entropy under some specific constraints related to the energetic balance of the fracture process, which firmly relates this type of quenched-disorder based damage model to standard
The Lunar Mapping and Modeling Project
NASA Technical Reports Server (NTRS)
Noble, Sarah; French, Raymond; Nall, Mark; Muery, Kimberly
2009-01-01
LMMP was initiated in 2007 to help in making the anticipated results of the LRO spacecraft useful and accessible to Constellation. The LMMP is managing and developing a suite of lunar mapping and modeling tools and products that support the Constellation Program (CxP) and other lunar exploration activities. In addition to the LRO Principal Investigators, relevant activities and expertise that had already been funded by NASA was identified at ARC, CRREL (Army Cold Regions Research & Engineering Laboratory), GSFC, JPL, & USGS. LMMP is a cost capped, design-to-cost project (Project budget was established prior to obtaining Constellation needs)
NASA Astrophysics Data System (ADS)
Liu, Zhirong; Chan, Hue Sun
2008-04-01
We develop two classes of Monte Carlo moves for efficient sampling of wormlike DNA chains that can have significant degrees of supercoiling, a conformational feature that is key to many aspects of biological function including replication, transcription, and recombination. One class of moves entails reversing the coordinates of a segment of the chain along one, two, or three axes of an appropriately chosen local frame of reference. These transformations may be viewed as a generalization, to the continuum, of the Madras-Orlitsky-Shepp algorithm for cubic lattices. Another class of moves, termed T±2, allows for interconversions between chains with different lengths by adding or subtracting two beads (monomer units) to or from the chain. Length-changing moves are generally useful for conformational sampling with a given site juxtaposition, as has been shown in previous lattice studies. Here, the continuum T±2 moves are designed to enhance their acceptance rate in supercoiled conformations. We apply these moves to a wormlike model in which excluded volume is accounted for by a bond-bond repulsion term. The computed autocorrelation functions for the relaxation of bond length, bond angle, writhe, and branch number indicate that the new moves lead to significantly more efficient sampling than conventional bead displacements and crankshaft rotations. A close correspondence is found in the equilibrium ensemble between the map of writhe computed for pair of chain segments and the map of site juxtapositions or self-contacts. To evaluate the more coarse-grained freely jointed chain (random-flight) and cubic lattice models that are commonly used in DNA investigations, twisting (torsional) potentials are introduced into these models. Conformational properties for a given superhelical density σ may then be sampled by computing the writhe and using White's formula to relate the degree of twisting to writhe and σ. Extensive comparisons of contact patterns and knot probabilities
Liu, Zhirong; Chan, Hue Sun
2008-04-14
We develop two classes of Monte Carlo moves for efficient sampling of wormlike DNA chains that can have significant degrees of supercoiling, a conformational feature that is key to many aspects of biological function including replication, transcription, and recombination. One class of moves entails reversing the coordinates of a segment of the chain along one, two, or three axes of an appropriately chosen local frame of reference. These transformations may be viewed as a generalization, to the continuum, of the Madras-Orlitsky-Shepp algorithm for cubic lattices. Another class of moves, termed T+/-2, allows for interconversions between chains with different lengths by adding or subtracting two beads (monomer units) to or from the chain. Length-changing moves are generally useful for conformational sampling with a given site juxtaposition, as has been shown in previous lattice studies. Here, the continuum T+/-2 moves are designed to enhance their acceptance rate in supercoiled conformations. We apply these moves to a wormlike model in which excluded volume is accounted for by a bond-bond repulsion term. The computed autocorrelation functions for the relaxation of bond length, bond angle, writhe, and branch number indicate that the new moves lead to significantly more efficient sampling than conventional bead displacements and crankshaft rotations. A close correspondence is found in the equilibrium ensemble between the map of writhe computed for pair of chain segments and the map of site juxtapositions or self-contacts. To evaluate the more coarse-grained freely jointed chain (random-flight) and cubic lattice models that are commonly used in DNA investigations, twisting (torsional) potentials are introduced into these models. Conformational properties for a given superhelical density sigma may then be sampled by computing the writhe and using White's formula to relate the degree of twisting to writhe and sigma. Extensive comparisons of contact patterns and knot
Lattice charge models and core level shifts in disordered alloys.
Underwood, T L; Cole, R J
2013-10-30
Differences in core level binding energies between atoms belonging to the same chemical species can be related to differences in their intra- and extra-atomic charge distributions, and differences in how their core holes are screened. With this in mind, we consider the charge-excess functional model (CEFM) for net atomic charges in alloys (Bruno et al 2003 Phys. Rev. Lett. 91 166401). We begin by deriving the CEFM energy function in order to elucidate the approximations which underpin this model. We thereafter consider the particular case of the CEFM in which the strengths of the 'local interactions' within all atoms are the same. We show that for binary alloys the ground state charges of this model can be expressed in terms of charge transfer between all pairs of unlike atoms analogously to the linear charge model (Magri et al 1990 Phys. Rev. B 42 11388). Hence, the model considered is a generalization of the linear charge model for alloys containing more than two chemical species. We then determine the model's unknown 'geometric factors' over a wide range of parameter space. These quantities are linked to the nature of charge screening in the model, and we illustrate that the screening becomes increasingly universal as the strength of the local interactions is increased. We then use the model to derive analytical expressions for various physical quantities, including the Madelung energy and the disorder broadening in the core level binding energies. These expressions are applied to ternary random alloys, for which it is shown that the Madelung energy and magnitude of disorder broadening are maximized at the composition at which the two species with the largest 'electronegativity difference' are equal, while the remaining species have a vanishing concentration. This result is somewhat counterintuitive with regards to the disorder broadening since it does not correspond to the composition with the highest entropy. Finally, the model is applied to CuPd and Cu
The sign-factor of the 3D Ising model on dual BCC lattice
NASA Astrophysics Data System (ADS)
Khachatryan, Sh.; Sedrakyan, A.
2002-01-01
We modify the two-dimensional model for the sign-factor of the regular 3D Ising model (3DIM) presented by Kavalov and Sedrakyan (Phys. Lett. 173B (1986) 449 and Nucl. Phys. 285B (1987) 264) for the case of dual to body centered cubic (DBCC) three-dimensional lattice. The advantage of this lattice is in an absence of self-intersections of the two-dimensional surfaces embedded there. We investigate simpler case of the model with scalar fermions (instead of SU(2) needed for 3DIM) and have found it's spectrum, which appeared to be massless. We reformulate the model by use of R-matrix formalism and a new interesting structure appears in a necessity to introduce three-particle R(3)ijk-matrices. We formulate the integrability property of the model for more general case.
Lattice gas and lattice Boltzmann computational physics
Chen, S.
1993-05-01
Recent developments of the lattice gas automata method and its extension to the lattice Boltzmann method have provided new computational schemes for solving a variety of partial differential equations and modeling different physics systems. The lattice gas method, regarded as the simplest microscopic and kinetic approach which generates meaningful macroscopic dynamics, is fully parallel and can be easily programmed on parallel machines. In this talk, the author will review basic principles of the lattice gas and lattice Boltzmann method, its mathematical foundation and its numerical implementation. A detailed comparison of the lattice Boltzmann method with the lattice gas technique and other traditional numerical schemes, including the finite-difference scheme and the pseudo-spectral method, for solving the Navier-Stokes hydrodynamic fluid flows, will be discussed. Recent achievements of the lattice gas and the the lattice Boltzmann method and their applications in surface phenomena, spinodal decomposition and pattern formation in chemical reaction-diffusion systems will be presented.
Lattice charge models and core level shifts in disordered alloys
NASA Astrophysics Data System (ADS)
Underwood, T. L.; Cole, R. J.
2013-10-01
Differences in core level binding energies between atoms belonging to the same chemical species can be related to differences in their intra- and extra-atomic charge distributions, and differences in how their core holes are screened. With this in mind, we consider the charge-excess functional model (CEFM) for net atomic charges in alloys (Bruno et al 2003 Phys. Rev. Lett. 91 166401). We begin by deriving the CEFM energy function in order to elucidate the approximations which underpin this model. We thereafter consider the particular case of the CEFM in which the strengths of the ‘local interactions’ within all atoms are the same. We show that for binary alloys the ground state charges of this model can be expressed in terms of charge transfer between all pairs of unlike atoms analogously to the linear charge model (Magri et al 1990 Phys. Rev. B 42 11388). Hence, the model considered is a generalization of the linear charge model for alloys containing more than two chemical species. We then determine the model’s unknown ‘geometric factors’ over a wide range of parameter space. These quantities are linked to the nature of charge screening in the model, and we illustrate that the screening becomes increasingly universal as the strength of the local interactions is increased. We then use the model to derive analytical expressions for various physical quantities, including the Madelung energy and the disorder broadening in the core level binding energies. These expressions are applied to ternary random alloys, for which it is shown that the Madelung energy and magnitude of disorder broadening are maximized at the composition at which the two species with the largest ‘electronegativity difference’ are equal, while the remaining species have a vanishing concentration. This result is somewhat counterintuitive with regards to the disorder broadening since it does not correspond to the composition with the highest entropy. Finally, the model is applied to Cu
Transition under noise in the Sznajd model on square lattice
NASA Astrophysics Data System (ADS)
Lima, F. W. S.
2016-08-01
In order to describe the formation of a consensus in human opinion dynamics, in this paper, we study the Sznajd model with probabilistic noise in two dimensions. The time evolution of this system is performed via Monte Carlo simulations. This social behavior model with noise presents a well defined second-order phase transition. For small enough noise q < 0.33 most agents end up sharing the same opinion.
System Identification of a Vortex Lattice Aerodynamic Model
NASA Technical Reports Server (NTRS)
Juang, Jer-Nan; Kholodar, Denis; Dowell, Earl H.
2001-01-01
The state-space presentation of an aerodynamic vortex model is considered from a classical and system identification perspective. Using an aerodynamic vortex model as a numerical simulator of a wing tunnel experiment, both full state and limited state data or measurements are considered. Two possible approaches for system identification are presented and modal controllability and observability are also considered. The theory then is applied to the system identification of a flow over an aerodynamic delta wing and typical results are presented.
Ising-like transitions in the O(n) loop model on the square lattice.
Fu, Zhe; Guo, Wenan; Blöte, Henk W J
2013-05-01
We explore the phase diagram of the O(n) loop model on the square lattice in the (x,n) plane, where x is the weight of a lattice edge covered by a loop. These results are based on transfer-matrix calculations and finite-size scaling. We express the correlation length associated with the staggered loop density in the transfer-matrix eigenvalues. The finite-size data for this correlation length, combined with the scaling formula, reveal the location of critical lines in the diagram. For n>2 we find Ising-like phase transitions associated with the onset of a checkerboardlike ordering of the elementary loops, i.e., the smallest possible loops, with the size of an elementary face, which cover precisely one-half of the faces of the square lattice at the maximum loop density. In this respect, the ordered state resembles that of the hard-square lattice gas with nearest-neighbor exclusion, and the finiteness of n represents a softening of its particle-particle potentials. We also determine critical points in the range -2≤n≤2. It is found that the topology of the phase diagram depends on the set of allowed vertices of the loop model. Depending on the choice of this set, the n>2 transition may continue into the dense phase of the n≤2 loop model, or continue as a line of n≤2 O(n) multicritical points. PMID:23767498
The Lunar Mapping and Modeling Project
NASA Astrophysics Data System (ADS)
Noble, S. K.; Nall, M. E.; French, R. A.; Muery, K. G.
2009-12-01
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
Models in Boundary Quantum Field Theory Associated with Lattices and Loop Group Models
NASA Astrophysics Data System (ADS)
Bischoff, Marcel
2012-11-01
In this article we give new examples of models in boundary quantum field theory, i.e. local time-translation covariant nets of von Neumann algebras, using a recent construction of Longo and Witten, which uses a local conformal net {{A}} on the real line together with an element of a unitary semigroup associated with {{A}}. Namely, we compute elements of this semigroup coming from Hölder continuous symmetric inner functions for a family of (completely rational) conformal nets which can be obtained by starting with nets of real subspaces, passing to its second quantization nets and taking local extensions of the former. This family is precisely the family of conformal nets associated with lattices, which as we show contains as a special case the level 1 loop group nets of simply connected, simply laced groups. Further examples come from the loop group net of {Spin(n)} at level 2 using the orbifold construction.
Water Discolouration Risk Mapping: a Regionally Mapped Model
NASA Astrophysics Data System (ADS)
Kirkby, M.; Arrell, K.; McDonald, A.; Tillotson, M.; Foulger, M.; Walker, A.
2006-12-01
Discolouration in catchment waters is caused by the release through oxidation, warming and biological decomposition of the soil. Catchments that yield highly discoloured waters not only increase treatment and sludge disposal costs but also risk compliance failures and increase the potential for Trihalomethane (THM) production; an unwanted byproduct of water chlorination. Therefore it is important for water companies to quantify and map water discolouration risk within their catchments to guide surveillance and intervention strategies. Yorkshire Water Services derives significant water resources from upland catchments. These catchments continue to produce increasing quantities of discolouration which are problematic and costly to treat. The company is taking several initiatives to manage colour. Traditional water colour studies tend to be restricted in scale and are unable to make conclusions about water colour production within a region. Sensitivities of water colour production to feedbacks and interactions between multiple factors also remains largely unquantified. This research addressed these limitations and mapped water discolouration risk for the Yorkshire Water area. Many factors are believed to influence colour production within a catchment. These are divided into two groups: dynamic factors for example, drought frequency, duration and severity or changes in the levels of acid precipitation; and static factors that are catchment specific, such as land management techniques, slope, soil type and erosion. A map of discolouration risk was created by sourcing and combining data for each of these variables. Data were categorised as either factors or constraints on water colour production and combined in a series of weighted overlays within a GIS, reflecting recent research on the processes leading to water colour production. Resulting risk maps identified a large variability in risk throughout study catchments. Analyses were also undertaken to examine the
Critical behavior of a lattice prey-predator model
NASA Astrophysics Data System (ADS)
Antal, Tibor; Droz, Michel; Lipowski, Adam; Ódor, Géza
2001-09-01
The critical properties of a simple prey-predator model are revisited. For some values of the control parameters, the model exhibits a line of directed percolationlike transitions to a single absorbing state. For other values of the control parameters one finds a second line of continuous transitions toward an infinite number of absorbing states, and the corresponding steady-state exponents are mean-field-like. The critical behavior of the special point T (bicritical point), where the two transition lines meet, belongs to a different universality class. A particular strategy for preparing the initial states used for the dynamical Monte Carlo method is devised to correctly describe the physics of the system near the second transition line. Relationships with a forest fire model with immunization are also discussed.
Approximate conservation laws in perturbed integrable lattice models
NASA Astrophysics Data System (ADS)
Mierzejewski, Marcin; Prosen, Tomaž; Prelovšek, Peter
2015-11-01
We develop a numerical algorithm for identifying approximately conserved quantities in models perturbed away from integrability. In the long-time regime, these quantities fully determine correlation functions of local observables. Applying the algorithm to the perturbed XXZ model, we find that the main effect of perturbation consists in expanding the support of conserved quantities. This expansion follows quadratic dependence on the strength of perturbation. The latter result, together with correlation functions of conserved quantities obtained from the memory function analysis, confirms the feasibility of the perturbation theory.
Yeager, John D.; Luscher, Darby J.; Vogel, Sven C.; Clausen, Bjorn; Brown, Donald W.
2016-06-01
Triaminotrinitrobenzene (TATB) is a highly anisotropic molecular crystal used in several plastic-bonded explosive (PBX) formulations. TATB-based explosives exhibit irreversible volume expansion (“ratchet growth”) when thermally cycled. A theoretical understanding of the relationship between anisotropy of the crystal, crystal orientation distribution (texture) of polycrystalline aggregates, and the intergranular interactions leading to this irreversible growth is necessary to accurately develop physics-based predictive models for TATB-based PBXs under various thermal environments. In this work, TATB lattice parameters were measured using neutron diffraction during thermal cycling of loose powder and a pressed pellet. The measured lattice parameters help clarify conflicting reports in the literaturemore » as these new results are more consistent with one set of previous results than another. The lattice parameters of pressed TATB were also measured as a function of temperature, showing some differences from the powder. This data is used along with anisotropic single-crystal stiffness moduli reported in the literature to model the nominal stresses associated with intergranular constraints during thermal expansion. The texture of both specimens were characterized and the pressed pellet exhibits preferential orientation of (001) poles along the pressing direction, whereas no preferred orientation was found for the loose powder. Lastly, thermal strains for single-crystal TATB computed from lattice parameter data for the powder is input to a self-consistent micromechanical model, which predicts the lattice parameters of the constrained TATB crystals within the pellet. The agreement of these model results with the diffraction data obtained from the pellet is discussed along with future directions of research.« less
The vortices in the latticed model of the planar nematic
Khvechshenko, D.V.; Kogan, Y.I.; Nechaev, S.K.
1990-06-01
The vortices in the planar nematic are considered using the field-theoretical description in terms of the Rp{sup 2} {sigma}-model. In the strong-coupling expansion the vortices interactions are considered and the new type of phase transition is obtained in the mean-field approximation.
Mapping model agreement on future climate projections
NASA Astrophysics Data System (ADS)
Tebaldi, Claudia; Arblaster, Julie M.; Knutti, Reto
2011-12-01
Climate change projections are often based on simulations from multiple global climate models and are presented as maps with some form of stippling or measure of robustness to indicate where different models agree on the projected anthropogenically forced changes. The criteria used to determine model agreement, however, often ignore the presence of natural internal variability. We demonstrate that this leads to misleading presentations of the degree of model consensus on the sign and magnitude of the change if the ratio of the signal from the externally forced change to internal variability is low. We present a simple alternative method of depicting multimodel projections which clearly separates lack of climate change signal from lack of model agreement by assessing the degree of consensus on the significance of the change as well as the sign of the change. Our results demonstrate that the common interpretation of lack of model agreement in precipitation projections is largely an artifact of the large noise from climate variability masking the signal, an issue exacerbated by performing analyses at the grid point scale. We argue that separating more clearly the case of lack of agreement from the case of lack of signal will add valuable information for stake-holders' decision making, since adaptation measures required in the two cases are potentially very different.
Electrostatic potential map modelling with COSY Infinity
NASA Astrophysics Data System (ADS)
Maloney, J. A.; Baartman, R.; Planche, T.; Saminathan, S.
2016-06-01
COSY Infinity (Makino and Berz, 2005) is a differential-algebra based simulation code which allows accurate calculation of transfer maps to arbitrary order. COSY's existing internal procedures were modified to allow electrostatic elements to be specified using an array of field potential data from the midplane. Additionally, a new procedure was created allowing electrostatic elements and their fringe fields to be specified by an analytic function. This allows greater flexibility in accurately modelling electrostatic elements and their fringe fields. Applied examples of these new procedures are presented including the modelling of a shunted electrostatic multipole designed with OPERA, a spherical electrostatic bender, and the effects of different shaped apertures in an electrostatic beam line.
NASA Astrophysics Data System (ADS)
Held, M.; Kendl, A.
2015-10-01
A lattice Boltzmann method (LBM) approach to the Charney-Hasegawa-Mima (CHM) model for adiabatic drift wave turbulence in magnetised plasmas is implemented. The CHM-LBM model contains a barotropic equation of state for the potential, a force term including a cross-product analogous to the Coriolis force in quasigeostrophic models, and a density gradient source term. Expansion of the resulting lattice Boltzmann model equations leads to cold-ion fluid continuity and momentum equations, which resemble CHM dynamics under drift ordering. The resulting numerical solutions of standard test cases (monopole propagation, stable drift modes and decaying turbulence) are compared to results obtained by a conventional finite difference scheme that directly discretizes the CHM equation. The LB scheme resembles characteristic CHM dynamics apart from an additional shear in the density gradient direction. The occurring shear reduces with the drift ratio and is ascribed to the compressible limit of the underlying LBM.
NASA Technical Reports Server (NTRS)
Cramer, Nick; Swei, Sean Shan-Min; Cheung, Kenny; Teodorescu, Mircea
2015-01-01
This paper presents a modeling and control of aerostructure developed by lattice-based cellular materials/components. The proposed aerostructure concept leverages a building block strategy for lattice-based components which provide great adaptability to varying ight scenarios, the needs of which are essential for in- ight wing shaping control. A decentralized structural control design is proposed that utilizes discrete-time lumped mass transfer matrix method (DT-LM-TMM). The objective is to develop an e ective reduced order model through DT-LM-TMM that can be used to design a decentralized controller for the structural control of a wing. The proposed approach developed in this paper shows that, as far as the performance of overall structural system is concerned, the reduced order model can be as e ective as the full order model in designing an optimal stabilizing controller.
Distortion-rate models for entropy-coded lattice vector quantization.
Raffy, P; Antonini, M; Barlaud, M
2000-01-01
The increasing demand for real-time applications requires the use of variable-rate quantizers having good performance in the low bit rate domain. In order to minimize the complexity of quantization, as well as maintaining a reasonably high PSNR ratio, we propose to use an entropy-coded lattice vector quantizer (ECLVQ). These quantizers have proven to outperform the well-known EZW algorithm's performance in terms of rate-distortion tradeoff. In this paper, we focus our attention on the modeling of the mean squared error (MSE) distortion and the prefix code rate for ECLVQ. First, we generalize the distortion model of Jeong and Gibson (1993) on fixed-rate cubic quantizers to lattices under a high rate assumption. Second, we derive new rate models for ECLVQ, efficient at low bit rates without any high rate assumptions. Simulation results prove the precision of our models. PMID:18262939
The Lattice and Thermal Radiation Conductivity of Thermal Barrier Coatings: Models and Experiments
NASA Technical Reports Server (NTRS)
Zhu, Dongming; Spuckler, Charles M.
2010-01-01
The lattice and radiation conductivity of ZrO2-Y2O3 thermal barrier coatings was evaluated using a laser heat flux approach. A diffusion model has been established to correlate the coating apparent thermal conductivity to the lattice and radiation conductivity. The radiation conductivity component can be expressed as a function of temperature, coating material scattering, and absorption properties. High temperature scattering and absorption of the coating systems can be also derived based on the testing results using the modeling approach. A comparison has been made for the gray and nongray coating models in the plasma-sprayed thermal barrier coatings. The model prediction is found to have a good agreement with experimental observations.
Zalzale, M.; McDonald, P.J.
2012-12-15
The lattice Boltzmann method is used to investigate the permeability of microstructures of cement pastes generated using the numerical models CEMHYD3D (Bentz, 1997) and {mu}IC (Bishnoi and Scrivener, 2009). Results are reported as a function of paste water-to-cement ratio and degree of hydration. The permeability decreases with increasing hydration and decreasing water-to-cement ratio in agreement with experiment. However the permeability is larger than the experimental data recorded using beam bending methods (Vichit-Vadakan and Scherer, 2002). Notwithstanding, the lattice Boltzmann results compare favourably with alternate numerical methods of permeability calculation for cement model microstructures. In addition, we show early results for the liquid/vapour capillary adsorption and desorption isotherms in the same model {mu}IC structures. The broad features of the experimental capillary porosity isotherm are reproduced, although further work is required to adequately parameterise the model.
A classical simulation of nonlinear Jaynes-Cummings and Rabi models in photonic lattices.
Rodríguez-Lara, B M; Soto-Eguibar, Francisco; Cárdenas, Alejandro Zárate; Moya-Cessa, H M
2013-05-20
The interaction of a two-level atom with a single-mode quantized field is one of the simplest models in quantum optics. Under the rotating wave approximation, it is known as the Jaynes-Cummings model and without it as the Rabi model. Real-world realizations of the Jaynes-Cummings model include cavity, ion trap and circuit quantum electrodynamics. The Rabi model can be realized in circuit quantum electrodynamics. As soon as nonlinear couplings are introduced, feasible experimental realizations in quantum systems are drastically reduced. We propose a set of two photonic lattices that classically simulates the interaction of a single two-level system with a quantized field under field nonlinearities and nonlinear couplings as long as the quantum optics model conserves parity. We describe how to reconstruct the mean value of quantum optics measurements, such as photon number and atomic energy excitation, from the intensity and from the field, such as von Neumann entropy and fidelity, at the output of the photonic lattices. We discuss how typical initial states involving coherent or displaced Fock fields can be engineered from recently discussed Glauber-Fock lattices. As an example, the Buck-Sukumar model, where the coupling depends on the intensity of the field, is classically simulated for separable and entangled initial states. PMID:23736508
Geometric entanglement and quantum phase transitions in two-dimensional quantum lattice models
NASA Astrophysics Data System (ADS)
Shi, Qian-Qian; Wang, Hong-Lei; Li, Sheng-Hao; Cho, Sam Young; Batchelor, Murray T.; Zhou, Huan-Qiang
2016-06-01
Geometric entanglement (GE), as a measure of multipartite entanglement, has been investigated as a universal tool to detect phase transitions in quantum many-body lattice models. In this paper we outline a systematic method to compute GE for two-dimensional (2D) quantum many-body lattice models based on the translational invariant structure of infinite projected entangled pair state (iPEPS) representations. By employing this method, the q -state quantum Potts model on the square lattice with q ∈{2 ,3 ,4 ,5 } is investigated as a prototypical example. Further, we have explored three 2D Heisenberg models: the antiferromagnetic spin-1/2 X X X and anisotropic X Y X models in an external magnetic field, and the antiferromagnetic spin-1 X X Z model. We find that continuous GE does not guarantee a continuous phase transition across a phase transition point. We observe and thus classify three different types of continuous GE across a phase transition point: (i) GE is continuous with maximum value at the transition point and the phase transition is continuous, (ii) GE is continuous with maximum value at the transition point but the phase transition is discontinuous, and (iii) GE is continuous with nonmaximum value at the transition point and the phase transition is continuous. For the models under consideration, we find that the second and the third types are related to a point of dual symmetry and a fully polarized phase, respectively.
Deformed Matrix Models, Supersymmetric Lattice Twists and N=1/4 Supersymmetry
Unsal, Mithat
2008-09-24
A manifestly supersymmetric nonperturbative matrix regularization for a twisted version of N = (8, 8) theory on a curved background (a two-sphere) is constructed. Both continuum and the matrix regularization respect four exact scalar supersymmetries under a twisted version of the supersymmetry algebra. We then discuss a succinct Q = 1 deformed matrix model regularization of N = 4 SYM in d = 4, which is equivalent to a non-commutative A*{sub 4} orbifold lattice formulation. Motivated by recent progress in supersymmetric lattices, we also propose a N = 1/4 supersymmetry preserving deformation of N = 4 SYM theory on R{sup 4}. In this class of N = 1/4 theories, both the regularized and continuum theory respect the same set of (scalar) supersymmetry. By using the equivalence of the deformed matrix models with the lattice formulations, we give a very simple physical argument on why the exact lattice supersymmetry must be a subset of scalar subalgebra. This argument disagrees with the recent claims of the link approach, for which we give a new interpretation.
A lattice-based model of rotavirus epidemics
NASA Astrophysics Data System (ADS)
Lara-Sagahón, A.; Govezensky, T.; Méndez-Sánchez, R. A.; José, M. V.
2006-01-01
The cyclic recurrence of childhood rotavirus epidemics in unvaccinated populations provides one of the best documented phenomena in population dynamics and can become a paradigm for epidemic studies. Herein we analyse the monthly incidence of rotavirus infection from the city of Melbourne, Australia during 1976-2003. We show that there is an inverse nonlinear relationship of the cumulative distribution of the number of cases per month in a log-log plot. It is also shown that the rate of transmission of rotavirus infection follows a symmetric distribution centered on zero. A wavelet phase analysis of rotavirus epidemics is also carried out. We test the hypothesis that rotavirus dynamics could be a realization of a forest-fire model with sparks and with immune trees. Some statistical properties of this model turn out to be similar to the above results of actual rotavirus data.
Magnetic frustration in the three-band Anderson lattice model for high-temperature superconductors
Ihle, D.; Kasner, M. )
1990-09-01
The three-band Anderson lattice model for the CuO{sub 2} planes in high-{Tc} superconductors is established. Treating this model by perturbation theory, the effective spin interactions are derived. The antiferromagnetic superexchange integrals are calculated as functions of the direct oxygen transfer and the hole concentration. It is found that frustration in the superexchange occurs, even in the undoped case, which increases with oxygen trnasfer and decreases with hole concentration.
Phase diagram of the Kondo lattice model with a superlattice potential
NASA Astrophysics Data System (ADS)
Silva-Valencia, J.; Franco, R.; Figueira, M. S.
2016-02-01
We study the ground state of a Kondo lattice model where the free carries undergo a superlattice potential. Using the density matrix renormalization group method, we establish that the model exhibits a ferromagnetic phase and spiral phase whose boundaries in the phase diagram depend on the depth of the potential. Also, we observed that the spiral to ferromagnetic quantum phase transition can be tuned by changing the local coupling or the superlattice strength.
Problems In Indoor Mapping and Modelling
NASA Astrophysics Data System (ADS)
Zlatanova, S.; Sithole, G.; Nakagawa, M.; Zhu, Q.
2013-11-01
Research in support of indoor mapping and modelling (IMM) has been active for over thirty years. This research has come in the form of As-Built surveys, Data structuring, Visualisation techniques, Navigation models and so forth. Much of this research is founded on advancements in photogrammetry, computer vision and image analysis, computer graphics, robotics, laser scanning and many others. While IMM used to be the privy of engineers, planners, consultants, contractors, and designers, this is no longer the case as commercial enterprises and individuals are also beginning to apply indoor models in their business process and applications. There are three main reasons for this. Firstly, the last two decades have seen greater use of spatial information by enterprises and the public. Secondly, IMM has been complimented by advancements in mobile computing and internet communications, making it easier than ever to access and interact with spatial information. Thirdly, indoor modelling has been advanced geometrically and semantically, opening doors for developing user-oriented, context-aware applications. This reshaping of the public's attitude and expectations with regards to spatial information has realised new applications and spurred demand for indoor models and the tools to use them. This paper examines the present state of IMM and considers the research areas that deserve attention in the future. In particular the paper considers problems in IMM that are relevant to commercial enterprises and the general public, groups this paper expects will emerge as the greatest users IMM. The subject of indoor modelling and mapping is discussed here in terms of Acquisitions and Sensors, Data Structures and Modelling, Visualisation, Applications, Legal Issues and Standards. Problems are discussed in terms of those that exist and those that are emerging. Existing problems are those that are currently being researched. Emerging problems are those problems or demands that are
A Generalized Iterative Perturbation Theory for Multi-Orbital Lattice Model
NASA Astrophysics Data System (ADS)
Dasari, Nagamalleswararao; Vidhyadhiraja, N. S.; Chen, Kuang-Shing; Feng, Sheng; Moreno, Juana; Jarrell, Mark
2013-03-01
An efficient and accurate quantum impurity solver is needed for solving multi-orbital models by the dynamical mean field approximation. Impurity solvers such as quantum Monte Carlo(QMC) and exact diagonalization(ED) suffer from some limitations even though they are numerically exact, while the approximate method iterative perturbation theory(IPT) is free from these limitations. An IPT algorithm for non-degenerate multi-orbital lattice models is not available. Here we developed a generalized IPT for multi-orbital lattice model, we denote it as M-IPT. It can be applied for degenerate multi- orbital and single-orbital lattice models. As a first test we benchmarked the M-IPT results in the single-band Hubbard model case with the weak-coupling continuous-time Monte Carlo(W-CTQMC) results. We got good agreement between two methods. We are currently benchmarking the M-IPT results for the non-degenerate multi-orbital Hubbard model with the W-CTQMC results.
Model calculations of edge dislocation defects and vacancies in α-Iron lattice
NASA Astrophysics Data System (ADS)
Petrov, L.; Troev, T.; Nankov, N.; Popov, E.
2010-01-01
Two models of defects in perfect α-iron lattice were discussed. In the perfect bcc iron lattice 42×42×42 ao (ao = 2,87 Å) an edge dislocation was created, moving the second half of the bulk on one ao distance. This action generates a little volume in the middle of the bulk witch increases of the positron lifetime (PLT) calculated using the superimposed-atom method of Puska and Nieminen [1]. The result of 118 ps PLT in simple edge dislocation's model is in a good concurrence with earlier publications and experimental data [2]. Through the dislocation line one, two and three vacancies were localized. These models give the results for PLT of 146, 157 and 167 ps respectively. The computer simulations were performed using Finnis-Sinclair (FS) N-body potential.
Universality behaviour in ‘ideal’ dynamical arrest transitions of a lattice glass model
NASA Astrophysics Data System (ADS)
Dawson, Kenneth A.; Lawlor, Aonghus; de Gregorio, Paolo; McCullagh, Gavin D.; Zaccarelli, Emanuela; Tartaglia, Piero
2002-12-01
Using dynamically available volume (DAV) as an order parameter, we study the ideal dynamical arrest for some simple lattice glass models. For these models the dynamically available volume is expressed as holes, or vacant sites into which particles can move. We find that on approach to the arrest the holes, which are the only mediators of transport, become increasingly rare. Near the arrest, dynamical quantities can be expanded in a series of hole density, in which the leading term is found to quadratic, as opposed to unfrustrated systems which have a linear dependence. Dynamical quantities for the models we have studied show universal behaviour when expressed in terms of the hole density. The dynamically available volume is shown to be a useful characterisation of the slow aging in lattice glasses.
Conservative phase-field lattice Boltzmann model for interface tracking equation.
Geier, Martin; Fakhari, Abbas; Lee, Taehun
2015-06-01
Based on the phase-field theory, we propose a conservative lattice Boltzmann method to track the interface between two different fluids. The presented model recovers the conservative phase-field equation and conserves mass locally and globally. Two entirely different approaches are used to calculate the gradient of the phase field, which is needed in computation of the normal to the interface. One approach uses finite-difference stencils similar to many existing lattice Boltzmann models for tracking the two-phase interface, while the other one invokes central moments to calculate the gradient of the phase field without any finite differences involved. The former approach suffers from the nonlocality of the collision operator while the latter is entirely local making it highly suitable for massive parallel implementation. Several benchmark problems are carried out to assess the accuracy and stability of the proposed model. PMID:26172824
Mapping Venus: Modeling the Magellan Mission.
ERIC Educational Resources Information Center
Richardson, Doug
1997-01-01
Provides details of an activity designed to help students understand the relationship between astronomy and geology. Applies concepts of space research and map-making technology to the construction of a topographic map of a simulated section of Venus. (DDR)
A unifying modeling framework for highly multivariate disease mapping.
Botella-Rocamora, P; Martinez-Beneito, M A; Banerjee, S
2015-04-30
Multivariate disease mapping refers to the joint mapping of multiple diseases from regionally aggregated data and continues to be the subject of considerable attention for biostatisticians and spatial epidemiologists. The key issue is to map multiple diseases accounting for any correlations among themselves. Recently, Martinez-Beneito (2013) provided a unifying framework for multivariate disease mapping. While attractive in that it colligates a variety of existing statistical models for mapping multiple diseases, this and other existing approaches are computationally burdensome and preclude the multivariate analysis of moderate to large numbers of diseases. Here, we propose an alternative reformulation that accrues substantial computational benefits enabling the joint mapping of tens of diseases. Furthermore, the approach subsumes almost all existing classes of multivariate disease mapping models and offers substantial insight into the properties of statistical disease mapping models. PMID:25645551
Description of sorbing tracers transport in fractured media using the lattice model approach.
Jiménez-Hornero, Francisco J; Giráldez, Juan V; Laguna, Ana
2005-12-01
The transport of contaminants in fractured media is a complex phenomenon with a great environmental impact. It has been described with several models, most of them based on complex partial differential equations, that are difficult to apply when equilibrium and nonequilibrium dynamics are considered in complex boundaries. With the aim of overcoming this limitation, a combination of two lattice Bathnagar, Gross and Krook (BGK) models, derived from the lattice Boltzmann model, is proposed in this paper. The fractured medium is assumed to be a single fissure in a porous rock matrix. The proposed approach permits us to deal with two processes with different length scales: advection-dispersion in the fissure and diffusion within the rock matrix. In addition to the mentioned phenomena, sorption reactions are also considered. The combined model has been tested using the experimental breakthrough curves obtained by Garnier et al. (Garnier, J.M., Crampon, N., Préaux, C., Porel, G., Vreulx, M., 1985. Traçage par 13C, 2H, I- et uranine dans la nappe de la craie sénonienne en écoulement radial convergent (Béthune, France). J. Hidrol. 78, 379-392.) giving acceptable results. A study on the influence of the lattice BGK models parameters controlling sorption and matrix diffusion on the breakthrough curves shape is included. PMID:16183166
A Three-Dimensional Multi-Mesh Lattice Boltzmann Model for Multiphysics Simulations
NASA Astrophysics Data System (ADS)
Hashemi, Amirreza; Eshraghi, Mohsen; Felicelli, Sergio
2015-11-01
The lattice Boltzmann method (LBM) is known as an attractive computational method for modeling fluid flow and, more recently, transport phenomena. As any numerical method, the computational cost of LBM simulations depends on the density of the computational grids. The cost of simulations can become enormous when multiple equations are solved in three dimensions. In this work, the development of a multi-block multi-grid LBM model is discussed for three-dimensional (3D) multiphysics simulations. In a system of multiple coupled equations with different length scales, a multi-block mesh with different grids for each model would enhance the computational efficiency and stability of the model. Embedded-type grids facilitate the transfer of information between lattices while allowing larger time steps. In addition, a non-uniform mesh is considered within each mode that allows mesh refinement within each physical model when required. The multi-mesh method was developed to solve for transport phenomena including fluid flow, mass and heat transfer. The huge memory demands of LBM simulations in 3D was significantly reduced using this scheme. Moreover, by reducing the number of lattice points, cost communication in parallel processing was largely decreased.
NASA Astrophysics Data System (ADS)
Kuno, Yoshihito; Kasamatsu, Kenichi; Takahashi, Yoshiro; Ichinose, Ikuo; Matsui, Tetsuo
2015-06-01
Lattice gauge theory has provided a crucial non-perturbative method in studying canonical models in high-energy physics such as quantum chromodynamics. Among other models of lattice gauge theory, the lattice gauge-Higgs model is a quite important one because it describes a wide variety of phenomena/models related to the Anderson-Higgs mechanism, such as superconductivity, the standard model of particle physics, and the inflation process of the early Universe. In this paper, we first show that atomic description of the lattice gauge model allows us to explore real-time dynamics of the gauge variables by using the Gross-Pitaevskii equations. Numerical simulations of the time development of an electric flux reveal some interesting characteristics of the dynamic aspect of the model and determine its phase diagram. Next, to realize a quantum simulator of the U(1) lattice gauge-Higgs model on an optical lattice filled by cold atoms, we propose two feasible methods: (i) Wannier states in the excited bands and (ii) dipolar atoms in a multilayer optical lattice. We pay attention to the constraint of Gauss's law and avoid nonlocal gauge interactions.
Modeling of alkyl quaternary ammonium cations intercalated into montmorillonite lattice
Daoudi, El Mehdi; Boughaleb, Yahia; El Gaini, Layla; Meghea, Irina; Bakasse, Mina
2013-05-15
Highlights: ► The modification of montmorillonites by three surfactants increases the basal spacing. ► The model proposed show a bilayer conformation for the surfactant ODTMA. ► The DODMA and TOMA surfactants adopt a paraffin type arrangement. ► Behavior of surfactants in interlayer space was confirmed by TGA and ATR analysis. - Abstract: The objective of this work was to study the conformation of the quaternary ammonium cations viz., octadecyl trimethyl ammonium (ODTMA), dioctadecyl dimethyl ammonium (DMDOA) and trioctadecyl methyl ammonium (TOMA) intercalated within montmorillonite. The modified montmorillonite was characterized by X-ray diffraction in small angle (SAXS), thermal analysis (TGA) and infrared spectroscopy of attenuated total reflection (ATR). The modification of organophilic montmorillonites by the three surfactants ODTMA, DMDOA and TOMA increases the basal spacing from their respective intercalated distances of 1.9 nm, 2.6 nm and 3.4 nm respectively. The increase in the spacing due to the basic organic modification was confirmed by the results of thermal analysis (TGA) and infrared spectroscopy (ATR), and also supported by theoretical calculations of longitudinal and transversal chain sizes of these alkyl quaternary ammonium cations.
Lattice Models for Granular-Like Velocity Fields: Hydrodynamic Description
NASA Astrophysics Data System (ADS)
Manacorda, Alessandro; Plata, Carlos A.; Lasanta, Antonio; Puglisi, Andrea; Prados, Antonio
2016-07-01
A recently introduced model describing—on a 1d lattice—the velocity field of a granular fluid is discussed in detail. The dynamics of the velocity field occurs through next-neighbours inelastic collisions which conserve momentum but dissipate energy. The dynamics is described through the corresponding Master Equation for the time evolution of the probability distribution. In the continuum limit, equations for the average velocity and temperature fields with fluctuating currents are derived, which are analogous to hydrodynamic equations of granular fluids when restricted to the shear modes. Therefore, the homogeneous cooling state, with its linear instability, and other relevant regimes such as the uniform shear flow and the Couette flow states are described. The evolution in time and space of the single particle probability distribution, in all those regimes, is also discussed, showing that the local equilibrium is not valid in general. The noise for the momentum and energy currents, which are correlated, are white and Gaussian. The same is true for the noise of the energy sink, which is usually negligible.
Lattice Models for Granular-Like Velocity Fields: Hydrodynamic Description
NASA Astrophysics Data System (ADS)
Manacorda, Alessandro; Plata, Carlos A.; Lasanta, Antonio; Puglisi, Andrea; Prados, Antonio
2016-08-01
A recently introduced model describing—on a 1d lattice—the velocity field of a granular fluid is discussed in detail. The dynamics of the velocity field occurs through next-neighbours inelastic collisions which conserve momentum but dissipate energy. The dynamics is described through the corresponding Master Equation for the time evolution of the probability distribution. In the continuum limit, equations for the average velocity and temperature fields with fluctuating currents are derived, which are analogous to hydrodynamic equations of granular fluids when restricted to the shear modes. Therefore, the homogeneous cooling state, with its linear instability, and other relevant regimes such as the uniform shear flow and the Couette flow states are described. The evolution in time and space of the single particle probability distribution, in all those regimes, is also discussed, showing that the local equilibrium is not valid in general. The noise for the momentum and energy currents, which are correlated, are white and Gaussian. The same is true for the noise of the energy sink, which is usually negligible.
Melange: A viscoelastic lattice-particle model applicable to the lithosphere
NASA Astrophysics Data System (ADS)
Sachau, Till; Koehn, Daniel
2012-12-01
This article introduces the software Melange, a 3D lattice-particle hybrid model. The software was specifically designed in order to simulate ductile visco-elasto-plastic deformation and can be used to study tectonic processes in the lithosphere from the micro to the macro scale. Melange is under an open source license. The code takes both relevant yield mechanisms for the deformation of lithospheric material into account: dynamic brittle failure and ductile creep, where ductile creep is modeled as viscoelasticity. The software considers effects of the local geology, of the inherent disorder of geomaterials, of rheological layering of the lithosphere and applies repulsion when the material fractures. Driving forces are the externally applied strain and the gravitational load. Melange applies an elastically isotropic regular 3D lattice with HCP geometry and next-nearest neighbor interactions. Young's modulus, viscosity, material density and system size can be freely chosen. Poisson's ratio is restricted to values <0.25. The most important innovation of the software is a physically consistent scheme to model viscoelasticity in a lattice-particle model. The scheme couples the local lattice-geometry to the time-dependent volume-conservative viscoelastic deformation of particles. The procedure achieves the typical viscoelastic stress-strain relationship. The article incorporates a number of benchmark simulations, where the model output is being tested and evaluated. The results obtained with Melange show strong similarities with the benchmark values, e.g., stress fields in crack vicinity. Geologically relevant examples include structures associated with the brittle-ductile transition, growth of wing cracks and brittle graben formation.
Structural Modeling Using "Scanning and Mapping" Technique
NASA Technical Reports Server (NTRS)
Amos, Courtney L.; Dash, Gerald S.; Shen, J. Y.; Ferguson, Frederick; Noga, Donald F. (Technical Monitor)
2000-01-01
Supported by NASA Glenn Center, we are in the process developing a structural damage diagnostic and monitoring system for rocket engines, which consists of five modules: Structural Modeling, Measurement Data Pre-Processor, Structural System Identification, Damage Detection Criterion, and Computer Visualization. The function of the system is to detect damage as it is incurred by the engine structures. The scientific principle to identify damage is to utilize the changes in the vibrational properties between the pre-damaged and post-damaged structures. The vibrational properties of the pre-damaged structure can be obtained based on an analytic computer model of the structure. Thus, as the first stage of the whole research plan, we currently focus on the first module - Structural Modeling. Three computer software packages are selected, and will be integrated for this purpose. They are PhotoModeler-Pro, AutoCAD-R14, and MSC/NASTRAN. AutoCAD is the most popular PC-CAD system currently available in the market. For our purpose, it plays like an interface to generate structural models of any particular engine parts or assembly, which is then passed to MSC/NASTRAN for extracting structural dynamic properties. Although AutoCAD is a powerful structural modeling tool, the complexity of engine components requires a further improvement in structural modeling techniques. We are working on a so-called "scanning and mapping" technique, which is a relatively new technique. The basic idea is to producing a full and accurate 3D structural model by tracing on multiple overlapping photographs taken from different angles. There is no need to input point positions, angles, distances or axes. Photographs can be taken by any types of cameras with different lenses. With the integration of such a modeling technique, the capability of structural modeling will be enhanced. The prototypes of any complex structural components will be produced by PhotoModeler first based on existing similar
NASA Astrophysics Data System (ADS)
Gao, Zhibin; Li, Nianbei; Li, Baowen
2016-02-01
The ding-a-ling model is a kind of half lattice and half hard-point-gas (HPG) model. The original ding-a-ling model proposed by Casati et al. does not conserve total momentum and has been found to exhibit normal heat conduction behavior. Recently, a modified ding-a-ling model which conserves total momentum has been studied and normal heat conduction has also been claimed. In this work, we propose a full-lattice ding-a-ling model without hard point collisions where total momentum is also conserved. We investigate the heat conduction and energy diffusion of this full-lattice ding-a-ling model with three different nonlinear inter-particle potential forms. For symmetrical potential lattices, the thermal conductivities diverges with lattice length and their energy diffusions are superdiffusive signaturing anomalous heat conduction. For asymmetrical potential lattices, although the thermal conductivity seems to converge as the length increases, the energy diffusion is definitely deviating from normal diffusion behavior indicating anomalous heat conduction as well. No normal heat conduction behavior can be found for the full-lattice ding-a-ling model.
Dynamical screening in correlated electron systems—from lattice models to realistic materials
NASA Astrophysics Data System (ADS)
Werner, Philipp; Casula, Michele
2016-09-01
Recent progress in treating the dynamical nature of the screened Coulomb interaction in strongly correlated lattice models and materials is reviewed with a focus on computational schemes based on the dynamical mean field approximation. We discuss approximate and exact methods for the solution of impurity models with retarded interactions, and explain how these models appear as auxiliary problems in various extensions of the dynamical mean field formalism. The current state of the field is illustrated with results from recent applications of these schemes to U-V Hubbard models and correlated materials.
Dynamical screening in correlated electron systems-from lattice models to realistic materials.
Werner, Philipp; Casula, Michele
2016-09-28
Recent progress in treating the dynamical nature of the screened Coulomb interaction in strongly correlated lattice models and materials is reviewed with a focus on computational schemes based on the dynamical mean field approximation. We discuss approximate and exact methods for the solution of impurity models with retarded interactions, and explain how these models appear as auxiliary problems in various extensions of the dynamical mean field formalism. The current state of the field is illustrated with results from recent applications of these schemes to U-V Hubbard models and correlated materials. PMID:27440180
Exploring Arthur's Pass Topographic Map and Model Interpretation.
ERIC Educational Resources Information Center
Fastier, Murray; Macaulay, John
1995-01-01
Provides instructional materials, tasks, and activities to supplement a unit on map reading. Presents a two-page color topographical map of Arthur's Pass (New Zealand). Includes learning activities covering reading grid references, estimating distances, cross-sections, and sketch mapping. Briefly discusses and illustrates digital terrain models.…
Bezuglova, G S; Chechin, G M; Goncharov, P P
2011-09-01
A group-theoretical approach for studying localized periodic and quasiperiodic vibrations in two- and three-dimensional lattice dynamical models is developed. This approach is demonstrated for the scalar models on the plane square lattice. The symmetry-determined invariant manifolds admitting existence of localized vibrations are found, and some types of discrete breathers are constructed on these manifolds. A general method using the apparatus of matrix representations of symmetry groups to simplify the standard linear stability analysis is discussed. This method allows one to decompose the corresponding system of linear differential equations with time-dependent coefficients into a number of independent subsystems whose dimensions are less than the full dimension of the considered system. PMID:22060521
Magnetic ordering and non-Fermi-liquid behavior in the multichannel Kondo-lattice model
NASA Astrophysics Data System (ADS)
Irkhin, Valentin Yu.
2016-05-01
Scaling equations for the Kondo lattice in the paramagnetic and magnetically ordered phases are derived to next-leading order with account of spin dynamics. The results are applied to describe various mechanisms of the non-Fermi-liquid (NFL) behavior in the multichannel Kondo-lattice model where a fixed point occurs in the weak-coupling region. The corresponding temperature dependences of electronic and magnetic properties are discussed. The model describes naturally formation of a magnetic state with soft boson mode and small moment value. An important role of Van Hove singularities in the magnon spectral function is demonstrated. The results are rather sensitive to the type of magnetic ordering and space dimensionality, the conditions for NFL behavior being more favorable in the antiferromagnetic and 2D cases.
Spreading of Perturbations in Long-Range Interacting Classical Lattice Models
NASA Astrophysics Data System (ADS)
Métivier, David; Bachelard, Romain; Kastner, Michael
2014-05-01
Lieb-Robinson-type bounds are reported for a large class of classical Hamiltonian lattice models. By a suitable rescaling of energy or time, such bounds can be constructed for interactions of arbitrarily long range. The bound quantifies the dependence of the system's dynamics on a perturbation of the initial state. The effect of the perturbation is found to be effectively restricted to the interior of a causal region of logarithmic shape, with only small, algebraically decaying effects in the exterior. A refined bound, sharper than conventional Lieb-Robinson bounds, is required to correctly capture the shape of the causal region, as confirmed by numerical results for classical long-range XY chains. We discuss the relevance of our findings for the relaxation to equilibrium of long-range interacting lattice models.
Spiral to ferromagnetic transition in a Kondo lattice model with a double-well potential
NASA Astrophysics Data System (ADS)
Caro, R. C.; Franco, R.; Silva-Valencia, J.
2016-02-01
Using the density matrix renormalization group method, we study a system of 171Yb atoms confined in a one-dimensional optical lattice. The atoms in the 1So state undergo a double-well potential, whereas the atoms in the 3P0 state are localized. This system is modelled by the Kondo lattice model plus a double-well potential for the free carries. We obtain phase diagrams composed of ferromagnetic and spiral phases, where the critical points always increase with the interwell tunneling parameter. We conclude that this quantum phase transition can be tuned by the double-well potential parameters as well as by the common parameters: local coupling and density.
Nernst and magnetothermal conductivity in a lattice model of Weyl fermions
NASA Astrophysics Data System (ADS)
Sharma, Girish; Goswami, Pallab; Tewari, Sumanta
2016-01-01
Weyl semimetals (WSMs) are topologically protected three-dimensional materials whose low-energy excitations are linearly dispersing massless Dirac fermions, possessing a nontrivial Berry curvature. Using semiclassical Boltzmann dynamics in the relaxation time approximation for a lattice model of time-reversal (TR) symmetry broken WSMs, we compute both magnetic field dependent and anomalous contributions to the Nernst coefficient. In addition to the magnetic field dependent Nernst response, which is present in both Dirac and Weyl semimetals, we show that, contrary to previous reports, the TR-broken WSM also has an anomalous Nernst response due to a nonvanishing Berry curvature. We also compute the thermal conductivities of a WSM in the Nernst (∇ T ⊥B ) and the longitudinal (∇ T ∥B ) setup and confirm from our lattice model that in the parallel setup, the Wiedemann-Franz law is violated between the longitudinal thermal and electrical conductivities due to the chiral anomaly.
The lattice Boltzmann model for the second-order Benjamin-Ono equations
NASA Astrophysics Data System (ADS)
Lai, Huilin; Ma, Changfeng
2010-04-01
In this paper, in order to extend the lattice Boltzmann method to deal with more complicated nonlinear equations, we propose a 1D lattice Boltzmann scheme with an amending function for the second-order (1 + 1)-dimensional Benjamin-Ono equation. With the Taylor expansion and the Chapman-Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The equilibrium distribution function and the amending function are obtained. Numerical simulations are carried out for the 'good' Boussinesq equation and the 'bad' one to validate the proposed model. It is found that the numerical results agree well with the analytical solutions. The present model can be used to solve more kinds of nonlinear partial differential equations.
Superfluid transition temperature of the boson-fermion model on a lattice
Micnas, R.
2007-11-01
The properties of a mixture of mutually interacting bound electron pairs and itinerant fermions (the boson-fermion model) on a lattice are further studied. We determine the superconducting critical temperature from a pseudogap phase by applying a self-consistent T-matrix approach, which includes the pairing fluctuations and the boson self-energy effects. The analysis is made for a three dimensional cubic lattice with tight-binding dispersion for electrons and for both standard bosons and the case of hard-core bosons. The results describe the BCS-Bose-Einstein condensation crossover with varying position of the bosonic (local pair) level and give a further insight into the nature of resonance superfluidity in the boson-fermion model.
Computer simulation of fracture processes of concrete using mesolevel models of lattice structures
Leite, J.P.B.; Slowik, V.; Mihashi, H
2004-06-01
Mesolevel simulations were used to describe fracture processes in concrete. A new stochastic-heuristic algorithm was developed for generating the composite structure of concrete in 3-D space, producing specimens with comparably high aggregate content and realistic distribution. Aggregate particles were described as ellipsoids, allowing control in shape and size distributions. The continuum was discretised into lattices of linear elements, in structural analyses. For 2-D analyses, slices from the 3-D specimen were idealised as planar trusses/frames, while for the 3-D analyses the specimens were idealised as space structures. Fibre-reinforced concrete (FRC) was also modelled by introducing additional linear elements interconnecting distant nodes of the lattice. Compression, direct tension and wedge-splitting tests were simulated. Parametrical study was carried out to investigate the effect of different material properties and proportions in concrete admixtures. Simulation results are in agreement with experimental observations. Applicability and enhancements for such models are discussed and future research directions are proposed.
Chamati, Hassan; Romano, Silvano
2014-08-01
At low temperatures, some lattice spin models with simple ferromagnetic or antiferromagnetic interactions (for example, nearest-neighbor interaction being isotropic in spin space on a bipartite three-dimensional lattice) produce orientationally ordered phases exhibiting nematic (second-rank) order, in addition to the primary first-rank one; on the other hand, in the literature, they have been rather seldom investigated in this respect. Here we study the thermodynamic properties of a three-dimensional model with dipolar-like interaction. Its ground state is found to exhibit full orientational order with respect to a suitably defined staggered magnetization (polarization), but no nematic second-rank order. Extensive Monte Carlo simulations, in conjunction with finite-size scaling analysis, have been used for characterizing its critical behavior; on the other hand, it has been found that nematic order does indeed set in at low temperatures, via a mechanism of order by disorder. PMID:25215748
Topological Rice-Mele model in an emergent lattice: Exact diagonalization approach
NASA Astrophysics Data System (ADS)
Biedroń, Krzysztof; Dutta, Omjyoti; Zakrzewski, Jakub
2016-03-01
Using exact diagonalization methods we study possible phases in a one-dimensional model of two differently populated fermionic species in a periodically driven optical lattice. The shaking amplitude and frequency are chosen to resonantly drive s -p transition while minimizing the standard intraband tunnelings. We verify numerically the presence of an emergent density wave configuration of composites for appropriate filling fraction and minimized intraband tunnelings. The majority fermions moving in such a lattice mimic the celebrated Rice-Mele model. Far away from that region, the structure changes to a clustered phase, with the intermediate phase abundantly populated by defects of the density wave. These defects lead to localized modes carrying fractional particle charge. The results obtained are compared with earlier approximate predictions.
Soliton excitations and stability in a square lattice model of ferromagnetic spin system
NASA Astrophysics Data System (ADS)
Latha, M. M.; Anitha, T.
2015-12-01
We investigate the nature of nonlinear spin excitations in a square lattice model of ferromagnetic (FM) spin system with bilinear and biquadratic interactions. Using the coherent state ansatz combined with the Holstein-Primakoff (HP) bosonic representation of spin operators, the dynamics is found to be governed by a discrete nonlinear equation which possesses soliton solution. The modulational instability aspects of the soliton excitations are analysed for small perturbations in wave vectors.
A Simple Lattice Model That Captures Protein Folding, Aggregation and Amyloid Formation
Abeln, Sanne; Vendruscolo, Michele; Dobson, Christopher M.; Frenkel, Daan
2014-01-01
The ability of many proteins to convert from their functional soluble state to amyloid fibrils can be attributed to inter-molecular beta strand formation. Such amyloid formation is associated with neurodegenerative disorders like Alzheimer's and Parkinson's. Molecular modelling can play a key role in providing insight into the factors that make proteins prone to fibril formation. However, fully atomistic models are computationally too expensive to capture the length and time scales associated with fibril formation. As the ability to form fibrils is the rule rather than the exception, much insight can be gained from the study of coarse-grained models that capture the key generic features associated with amyloid formation. Here we present a simple lattice model that can capture both protein folding and beta strand formation. Unlike standard lattice models, this model explicitly incorporates the formation of hydrogen bonds and the directionality of side chains. The simplicity of our model makes it computationally feasible to investigate the interplay between folding, amorphous aggregation and fibril formation, and maintains the capability of classic lattice models to simulate protein folding with high specificity. In our model, the folded proteins contain structures that resemble naturally occurring beta-sheets, with alternating polar and hydrophobic amino acids. Moreover, fibrils with intermolecular cross-beta strand conformations can be formed spontaneously out of multiple short hydrophobic peptide sequences. Both the formation of hydrogen bonds in folded structures and in fibrils is strongly dependent on the amino acid sequence, indicating that hydrogen-bonding interactions alone are not strong enough to initiate the formation of beta sheets. This result agrees with experimental observations that beta sheet and amyloid formation is strongly sequence dependent, with hydrophobic sequences being more prone to form such structures. Our model should open the way to a
Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA; Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720, USA; Department of Haematology, University of Cambridge, Cambridge CB2 0XY, England; Terwilliger, Thomas; Terwilliger, T.C.; Grosse-Kunstleve, Ralf Wilhelm; Afonine, P.V.; Moriarty, N.W.; Zwart, P.H.; Hung, L.-W.; Read, R.J.; Adams, P.D.
2008-02-12
A procedure for carrying out iterative model-building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'Iterative-Build' OMIT map that is everywhere unbiased by an atomic model but also everywhere benefiting from the model-based information present elsewhere in the unit cell. The procedure may have applications in the validation of specific features in atomic models as well as in overall model validation. The procedure is demonstrated with a molecular replacement structure and with an experimentally-phased structure, and a variation on the method is demonstrated by removing model bias from a structure from the Protein Data Bank.
NASA Astrophysics Data System (ADS)
Hirose, Yuhei; Oguchi, Akihide; Fukumoto, Yoshiyuki
2016-09-01
We study Heisenberg antiferromagnets on a diamond-like decorated square lattice perturbed by further neighbor couplings. The second-order effective Hamiltonian is calculated and the resultant Hamiltonian is found to be a square-lattice quantum-dimer model with a finite hopping amplitude and no repulsion, which suggests the stabilization of the plaquette phase. Our recipe for constructing quantum-dimer models can be adopted for other lattices and provides a route for the experimental realization of quantum-dimer models.
Numerical characterization of non-Abelian Moore-Read state in the microscopic lattice boson model
NASA Astrophysics Data System (ADS)
Zhu, Wei; Gong, Shoushu; Haldane, F. D. M.; Sheng, D. N.
2015-03-01
Identifying the interacting systems that host the non-Abelian (NA) topological phases have attracted intense attention in physics. Theoretically, it is possible to realize the NA Moore-Read (MR) state in bosonic system or double-layer system by coupling two Abelian fractional quantum Hall (FQH) states together. Here, based on the density matrix renormalization group and exact diagonalization calculations, we study two such examples in the microscopic lattice models and investigate their NA nature. In the first example, we provide a thorough characterization of the universal properties of MR state on Haldane honeycomb lattice model, including both the edge spectrum and the bulk anyonic quasiparticle statistics. By inspecting the entanglement spectral response to the U (1) flux, it is found that two of Abelian ground states can be adiabatically connected through a charge unit quasiparticle pumping from one edge to the other. In the second example, we study a double-layer bosonic FQH system built from the π-flux lattice model. Some evidences of NA nature has been identified, including the groundstate degeneracy and finite drag Hall conductance. The numerical methods we developed here provides a useful and practical way for detecting the full information of NA topological order. This research is supported by the U.S. Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02-06ER46305.
Enhanced hybrid search algorithm for protein structure prediction using the 3D-HP lattice model.
Zhou, Changjun; Hou, Caixia; Zhang, Qiang; Wei, Xiaopeng
2013-09-01
The problem of protein structure prediction in the hydrophobic-polar (HP) lattice model is the prediction of protein tertiary structure. This problem is usually referred to as the protein folding problem. This paper presents a method for the application of an enhanced hybrid search algorithm to the problem of protein folding prediction, using the three dimensional (3D) HP lattice model. The enhanced hybrid search algorithm is a combination of the particle swarm optimizer (PSO) and tabu search (TS) algorithms. Since the PSO algorithm entraps local minimum in later evolution extremely easily, we combined PSO with the TS algorithm, which has properties of global optimization. Since the technologies of crossover and mutation are applied many times to PSO and TS algorithms, so enhanced hybrid search algorithm is called the MCMPSO-TS (multiple crossover and mutation PSO-TS) algorithm. Experimental results show that the MCMPSO-TS algorithm can find the best solutions so far for the listed benchmarks, which will help comparison with any future paper approach. Moreover, real protein sequences and Fibonacci sequences are verified in the 3D HP lattice model for the first time. Compared with the previous evolutionary algorithms, the new hybrid search algorithm is novel, and can be used effectively to predict 3D protein folding structure. With continuous development and changes in amino acids sequences, the new algorithm will also make a contribution to the study of new protein sequences. PMID:23824509
Modeling water infiltration in unsaturated porous media by interacting lattice gas-cellular automata
NASA Astrophysics Data System (ADS)
di Pietro, L. B.; Melayah, A.; Zaleski, S.
1994-10-01
A two-dimensional lattice gas-cellular automaton fluid model with long-range interactions (Appert and Zaleski, 1990) is used to simulate saturated and unsaturated water infiltration in porous media. Water and gas within the porous medium are simulated by applying the dense and the light phase, respectively, of the cellular automaton fluid. Various wetting properties can be modeled when adjusting the corresponding solid-liquid interactions. The lattice gas rules include a gravity force step to allow buoyancy-driven flow. The model handles with ease complex geometries of the solid, and an algorithm for generating random porous media is presented. The results of four types of simulation experiments are presented: (1) We verified Poiseuille's law for steady and saturated flow between two parallel plates. (2) We analyzed transient water infiltration between two parallel plates of varying degrees of saturation and various apertures. (3) Philip's infiltration equation was adequately simulated in an unsaturated porous medium. (4) Infiltration into an aggregated medium containing one vertical parallel crack was simulated. Further applications of this lattice gas method for studying unsaturated flow in porous media are discussed.
NASA Astrophysics Data System (ADS)
Makiyama, Takahiro; Sakai, Yuji; Saito, Takuya; Ishii, Masahiro; Takahashi, Junichi; Kashiwa, Kouji; Kouno, Hiroaki; Nakamura, Atsushi; Yahiro, Masanobu
2016-01-01
We investigate the phase structure of two-color QCD at both real and imaginary chemical potentials (μ ), performing lattice simulations and analyzing the data with the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model. Lattice QCD simulations are done on an 83×4 lattice with the clover-improved two-flavor Wilson fermion action and the renormalization-group-improved Iwasaki gauge action. We test the analytic continuation of physical quantities from imaginary μ to real μ by comparing lattice QCD results calculated at real μ with the results of an analytic function, the coefficients of which are determined from lattice QCD results at imaginary μ . We also test the validity of the PNJL model by comparing model results with lattice QCD ones. The PNJL model is good in the deconfinement region, but less accurate in the transition and confinement regions. This problem is cured by introducing the baryon degree of freedom to the model. It is also found that the vector-type four-quark interaction is necessary to explain lattice data on the quark number density.
Ternary free-energy lattice Boltzmann model with tunable surface tensions and contact angles
NASA Astrophysics Data System (ADS)
Semprebon, Ciro; Krüger, Timm; Kusumaatmaja, Halim
2016-03-01
We present a ternary free-energy lattice Boltzmann model. The distinguishing feature of our model is that we are able to analytically derive and independently vary all fluid-fluid surface tensions and the solid surface contact angles. We carry out a number of benchmark tests: (i) double emulsions and liquid lenses to validate the surface tensions, (ii) ternary fluids in contact with a square well to compare the contact angles against analytical predictions, and (iii) ternary phase separation to verify that the multicomponent fluid dynamics is accurately captured. Additionally we also describe how the model presented here can be extended to include an arbitrary number of fluid components.
NASA Astrophysics Data System (ADS)
Chen, Lin-Jie; Ma, Chang-Feng
2010-01-01
This paper proposes a lattice Boltzmann model with an amending function for one-dimensional nonlinear partial differential equations (NPDEs) in the form ut + αuux + βunux + γuxx + δuxxx + ζuxxxx = 0. This model is different from existing models because it lets the time step be equivalent to the square of the space step and derives higher accuracy and nonlinear terms in NPDEs. With the Chapman-Enskog expansion, the governing evolution equation is recovered correctly from the continuous Boltzmann equation. The numerical results agree well with the analytical solutions.
NASA Astrophysics Data System (ADS)
Chang, Shu-Chiuan; Shrock, Robert
2001-07-01
The q-state Potts model partition function (equivalent to the Tutte polynomial) for a lattice strip of fixed width Ly and arbitrary length Lx has the form Z(G,q,v)=∑ j=1N Z,G,λ c Z,G,j(λ Z,G,j) L x, where v is a temperature-dependent variable. The special case of the zero-temperature antiferromagnet ( v=-1) is the chromatic polynomial P( G, q). Using coloring and transfer matrix methods, we give general formulas for C X,G=∑ j=1N X,G,λ c X,G,j for X= Z, P on cyclic and Möbius strip graphs of the square and triangular lattice. Combining these with a general expression for the (unique) coefficient cZ, G, j of degree d in q: c (d)=U 2d( q/2) , where Un( x) is the Chebyshev polynomial of the second kind, we determine the number of λZ, G, j's with coefficient c( d) in Z( G, q, v) for these cyclic strips of width Ly to be n Z(L y,d)=(2d+1)(L y+d+1) -1{2L y}/{L y-d } for 0⩽ d⩽ Ly and zero otherwise. For both cyclic and Möbius strips of these lattices, the total number of distinct eigenvalues λZ, G, j is calculated to be N Z,L y,λ = {2L y}/{L y}. Results are also presented for the analogous numbers nP( Ly, d) and NP, Ly, λ for P( G, q). We find that nP( Ly,0)= nP( Ly-1,1)= MLy-1 (Motzkin number), nZ( Ly,0)= CLy (the Catalan number), and give an exact expression for NP, Ly, λ. Our results for NZ, Ly, λ and NP, Ly, λ apply for both the cyclic and Möbius strips of both the square and triangular lattices; we also point out the interesting relations NZ, Ly, λ=2 NDA, tri, Ly and NP, Ly, λ=2 NDA, sq, Ly, where NDA, Λ, n denotes the number of directed lattice animals on the lattice Λ. We find the asymptotic growths NZ, Ly, λ∼ Ly-1/24 Ly and NP, Ly, λ∼ Ly-1/23 Ly as Ly→∞. Some general geometric identities for Potts model partition functions are also presented.
Ding, Chengxiang; Fu, Zhe; Guo, Wenan; Wu, F Y
2010-06-01
In the preceding paper, one of us (F. Y. Wu) considered the Potts model and bond and site percolation on two general classes of two-dimensional lattices, the triangular-type and kagome-type lattices, and obtained closed-form expressions for the critical frontier with applications to various lattice models. For the triangular-type lattices Wu's result is exact, and for the kagome-type lattices Wu's expression is under a homogeneity assumption. The purpose of the present paper is twofold: First, an essential step in Wu's analysis is the derivation of lattice-dependent constants A,B,C for various lattice models, a process which can be tedious. We present here a derivation of these constants for subnet networks using a computer algorithm. Second, by means of a finite-size scaling analysis based on numerical transfer matrix calculations, we deduce critical properties and critical thresholds of various models and assess the accuracy of the homogeneity assumption. Specifically, we analyze the q -state Potts model and the bond percolation on the 3-12 and kagome-type subnet lattices (n×n):(n×n) , n≤4 , for which the exact solution is not known. Our numerical determination of critical properties such as conformal anomaly and magnetic correlation length verifies that the universality principle holds. To calibrate the accuracy of the finite-size procedure, we apply the same numerical analysis to models for which the exact critical frontiers are known. The comparison of numerical and exact results shows that our numerical values are correct within errors of our finite-size analysis, which correspond to 7 or 8 significant digits. This in turn infers that the homogeneity assumption determines critical frontiers with an accuracy of 5 decimal places or higher. Finally, we also obtained the exact percolation thresholds for site percolation on kagome-type subnet lattices (1×1):(n×n) for 1≤n≤6 . PMID:20866382
NASA Astrophysics Data System (ADS)
Khajepor, Sorush; Wen, John; Chen, Baixin
2015-02-01
Pseudopotential lattice Boltzmann (LB) models have been recognized as efficient numerical tools to simulate complex fluid systems, including those at thermodynamic equilibrium states and with phase transitions. However, when the equation of state (EOS) of real fluids is implemented, the existing pseudopotential LB models suffer from thermodynamic inconsistency. This study presents a multipseudopotential interparticle interaction (MPI) scheme, which is fully consistent with thermodynamics and applicable to engineering applications. In this framework, multiple pseudopotentials are employed to represent dominant interaction potentials at different extents of the mean free path of particles. By simulating van der Waals and Carnahan-Starling fluids, it is demonstrated that the MPI scheme can correctly simulate the physical nature of two-phase systems on the lattice including the continuum predictions of liquid-vapor coexistence states and the sound speeds in liquid and vapor phases. It is also shown that the lattice interactions of the MPI scheme represent underlying molecular interactions as they vary in a broad range from strong short-distance repulsions to weak long-distance attractions during phase transitions. Consequently, the MPI is proved to be a reliable LB scheme as it avoids generating unphysical potentials in implementing the EOSs of real fluids and limiting the spurious velocities at the interface of two-phase systems. Additionally, a straightforward procedure is suggested and discussed to preset the MPI system with the two-phase properties of a selected fluid.
Multiscale crystal defect dynamics: a dual-lattice process zone model
NASA Astrophysics Data System (ADS)
Li, Shaofan; Ren, Bo; Minaki, Hiroyuki
2014-05-01
In this work, we present the theoretical and computational formulations of a multiscale crystal defect dynamics (MCDD) for the simulation of crystal defects at small scales. The main novelties of the proposed MCDD are: (1) We use the dual-lattice tessellation to construct a dual-lattice process zone model that can represent different types of crystal defects in a single crystal; (2) We adopt a fourth-order (four scales) hierarchical strain gradient theory to model constitutive behaviours of various defect process zones, in which the atomistic-informed higher order Cauchy-Born rule is employed, and (3) We employ the Barycentric finite element technique to construct finite element shape functions for polygonal and polyhedral process zone elements. The proposed MCDD method provides an efficient and viable alternative for both molecular dynamics and dislocation dynamics in simulations of defect evolutions such as void growth, dislocation nucleation, and fracture. In particular, MCDD offers a mesoscale description for dynamic lattice microstructure, defect microstructure, and their interactions. The method offers a possible solution for studying nanoscale and mesoscale crystalline plasticity.
Tight-binding models for ultracold atoms in optical lattices: general formulation and applications
NASA Astrophysics Data System (ADS)
Modugno, Michele; Ibañez-Azpiroz, Julen; Pettini, Giulio
2016-06-01
Tight-binding models for ultracold atoms in optical lattices can be properly defined by using the concept of maximally localized Wannier functions for composite bands. The basic principles of this approach are reviewed here, along with different applications to lattice potentials with two minima per unit cell, in one and two spatial dimensions. Two independent methods for computing the tight-binding coefficients—one ab initio, based on the maximally localized Wannier functions, the other through analytic expressions in terms of the energy spectrum—are considered. In the one dimensional case, where the tight-binding coefficients can be obtained by designing a specific gauge transformation, we consider both the case of quasi resonance between the two lowest bands, and that between s and p orbitals. In the latter case, the role of the Wannier functions in the derivation of an effective Dirac equation is also reviewed. Then, we consider the case of a two dimensional honeycomb potential, with particular emphasis on the Haldane model, its phase diagram, and the breakdown of the Peierls substitution. Tunable honeycomb lattices, characterized by movable Dirac points, are also considered. Finally, general considerations for dealing with the interaction terms are presented.
Stochastic lattice gas model describing the dynamics of the SIRS epidemic process
NASA Astrophysics Data System (ADS)
de Souza, David R.; Tomé, Tânia
2010-03-01
We study a stochastic process describing the onset of spreading dynamics of an epidemic in a population composed of individuals of three classes: susceptible (S), infected (I), and recovered (R). The stochastic process is defined by local rules and involves the following cyclic process: S → I → R → S (SIRS). The open process S → I → R (SIR) is studied as a particular case of the SIRS process. The epidemic process is analyzed at different levels of description: by a stochastic lattice gas model and by a birth and death process. By means of Monte Carlo simulations and dynamical mean-field approximations we show that the SIRS stochastic lattice gas model exhibit a line of critical points separating the two phases: an absorbing phase where the lattice is completely full of S individuals and an active phase where S, I and R individuals coexist, which may or may not present population cycles. The critical line, that corresponds to the onset of epidemic spreading, is shown to belong in the directed percolation universality class. By considering the birth and death process we analyze the role of noise in stabilizing the oscillations.
Topological order in 1D super-lattice Bose-Hubbard models
NASA Astrophysics Data System (ADS)
Fleischhauer, Michael; Grusdt, Fabian; Hoening, Michael
2013-05-01
After the discovery of topological insulators as a new state of matter and their consequent classification for free fermions, the question arises what kind of topological order can be supported by incompressible systems of interacting bosons. We consider a 1D super-lattice Hamiltonian with a non-trivial band structure (the Su-Schrieffer-Heeger model) and show that its Mott-insulating (MI) states can be classified by a quantized many-body winding number. This quantization is protected by sub-lattice and time-reversal symmetries, and it allows the implementation of a quantized cyclic pumping process (Thouless pump) in a simple super-lattice Bose-Hubbard model (BHM). For extended BHMs we discuss a connection of such a pump with the fractional quantum Hall effect. Furthermore we show that the quantization of the winding number leads to localized, protected edge states at sharp interfaces between topologically distinct MI phases which can be experimentally realized using Bose-Fermi mixtures in optical superlattices. DMRG simulations show that these edge states manifest themself either in localized density maxima or localized density minima, which can easily be detected. Supported by research center OPTIMAS and graduate school MAINZ.
Formation of Bragg band gaps in anisotropic phononic crystals analyzed with the empty lattice model
Wang, Yan -Feng; Maznev, Alexei; Laude, Vincent
2016-05-11
Bragg band gaps of phononic crystals generally, but not always, open at Brillouin zone boundaries. The commonly accepted explanation stems from the empty lattice model: assuming a small material contrast between the constituents of the unit cell, avoided crossings in the phononic band structure appear at frequencies and wavenumbers corresponding to band intersections; for scalar waves the lowest intersections coincide with boundaries of the first Brillouin zone. However, if a phononic crystal contains elastically anisotropic materials, its overall symmetry is not dictated solely by the lattice symmetry. We construct an empty lattice model for phononic crystals made of isotropic andmore » anisotropic materials, based on their slowness curves. We find that, in the anisotropic case, avoided crossings generally do not appear at the boundaries of traditionally defined Brillouin zones. Furthermore, the Bragg "planes" which give rise to phononic band gaps, are generally not flat planes but curved surfaces. Lastly, the same is found to be the case for avoided crossings between shear (transverse) and longitudinal bands in the isotropic case.« less
Hysteresis in random-field Ising model on a Bethe lattice with a mixed coordination number
NASA Astrophysics Data System (ADS)
Shukla, Prabodh; Thongjaomayum, Diana
2016-06-01
We study zero-temperature hysteresis in the random-field Ising model on a Bethe lattice where a fraction c of the sites have coordination number z = 4 while the remaining fraction 1-c have z = 3. Numerical simulations as well as probabilistic methods are used to show the existence of critical hysteresis for all values of c\\gt 0. This extends earlier results for c = 0 and c = 1 to the entire range 0≤slant c≤slant 1, and provides new insight in non-equilibrium critical phenomena. Our analysis shows that a spanning avalanche can occur on a lattice even in the absence of a spanning cluster of z = 4 sites.
Variational Monte Carlo approach to the two-dimensional Kondo lattice model
NASA Astrophysics Data System (ADS)
Asadzadeh, Mohammad Zhian; Becca, Federico; Fabrizio, Michele
2013-05-01
We study the phase diagram of the Kondo lattice model with nearest-neighbor hopping in the square lattice by means of the variational Monte Carlo technique. Specifically, we analyze a wide class of variational wave functions that allow magnetic and superconducting order parameters, so as to assess the possibility that superconductivity might emerge close to the magnetic instability, as is often observed in heavy-fermion systems. Indeed, we do find evidence of d-wave superconductivity in the paramagnetic sector, i.e., when magnetic order is not allowed in the variational wave function. However, when magnetism is allowed, it completely covers the superconducting region, which thus disappears from the phase diagram.
Application to Rat Lung of the Extended Rorschach-Hazlewood Model of Spin-Lattice Relaxation
NASA Astrophysics Data System (ADS)
Hackmann, Andreas; Ailion, David C.; Ganesan, Krishnamurthy; Goodrich, K. Craig; Chen, Songhua; Laicher, Gernot; Cutillo, Antonio G.
1996-02-01
The spin-lattice relaxation timeT1was measured in excised degassed (airless) rat lungs over the frequency range 6.7 to 80.5 MHz. The observed frequency dependence was fitted successfully to the water-biopolymer cross-relaxation theory proposed by H. E. Rorschach and C. F. Hazlewood (RH) [J. Magn. Reson.70,79 (1986)]. The rotating frame spin-lattice relaxation timeT1ρwas also measured in rat lung fragments over the frequency range 0.56 to 5.6 kHz, and the observed frequency dependence was explained with an extension of the RH model. The agreement between the theory and the experimental data in both cases is good.
A novel snowdrift game model with edge weighting mechanism on the square lattice
NASA Astrophysics Data System (ADS)
Zhang, Juan-juan; Ning, Hong-yun; Yin, Zi-yu; Sun, Shi-wen; Wang, Li; Sun, Jun-qing; Xia, Cheng-yi
2012-06-01
We propose a novel snowdrift game model with edge weighting mechanism to explore the cooperative behaviors among the players on the square lattice. Based on the assumption of three types of weight distribution including uniform, exponential and power-law schemes, the cooperation level is largely boosted in contrast with the traditional snowdrift game on the unweighted square lattice. Extensive numerical simulations indicate that the fraction of cooperators greatly augments, especially for the intermediate range of cost-to-benefit ratio r. Furthermore, we investigate how the cooperative behaviors are affected by the undulation amplitude of weight distribution and noise strength of strategy selection, respectively. The simulation results will be conducive to further understanding and analyzing the emergence of cooperation, which is a ubiquitous phenomenon in social and biological science.
Hexagonal RMnO3: a model system for two-dimensional triangular lattice antiferromagnets.
Sim, Hasung; Oh, Joosung; Jeong, Jaehong; Le, Manh Duc; Park, Je Geun
2016-02-01
The hexagonal RMnO3(h-RMnO3) are multiferroic materials, which exhibit the coexistence of a magnetic order and ferroelectricity. Their distinction is in their geometry that both results in an unusual mechanism to break inversion symmetry and also produces a two-dimensional triangular lattice of Mn spins, which is subject to geometrical magnetic frustration due to the antiferromagnetic interactions between nearest-neighbor Mn ions. This unique combination makes the h-RMnO3 a model system to test ideas of spin-lattice coupling, particularly when both the improper ferroelectricity and the Mn trimerization that appears to determine the symmetry of the magnetic structure arise from the same structure distortion. In this review we demonstrate how the use of both neutron and X-ray diffraction and inelastic neutron scattering techniques have been essential to paint this comprehensive and coherent picture of h-RMnO3. PMID:26830792
NASA Astrophysics Data System (ADS)
Onari, Seiichiro; Arita, Ryotaro; Kuroki, Kazuhiko; Aoki, Hideo
2006-01-01
We explore how the superconductivity arising from the on-site electron-electron repulsion changes when the repulsion is made long-ranged, 1/r -like interaction by introducing an extended Hubbard model with the repulsion extended to distant (12th) neighbors. With a simplified fluctuation-exchange approximation, we have found for the square lattice that: (i) As the band filling becomes dilute enough, the charge susceptibility becomes comparable with the spin susceptibility, where p - and then s -wave pairings become relatively dominant, in agreement with the result for the electron gas by Takada, while (ii) the d wave, which reflects the lattice structure, dominates well away from the half-filling. All of these can be understood in terms of the spin and charge structures along with the shape and size of the Fermi surface.
Dias, R. G.; Gouveia, J. D.
2015-01-01
We present a method of construction of exact localized many-body eigenstates of the Hubbard model in decorated lattices, both for U = 0 and U → ∞. These states are localized in what concerns both hole and particle movement. The starting point of the method is the construction of a plaquette or a set of plaquettes with a higher symmetry than that of the whole lattice. Using a simple set of rules, the tight-binding localized state in such a plaquette can be divided, folded and unfolded to new plaquette geometries. This set of rules is also valid for the construction of a localized state for one hole in the U → ∞ limit of the same plaquette, assuming a spin configuration which is a uniform linear combination of all possible permutations of the set of spins in the plaquette. PMID:26581296
NASA Astrophysics Data System (ADS)
Tuegel, Thomas I.; Hughes, Taylor L.
2015-10-01
The Hall viscosity describes a nondissipative response to strain in systems with broken time-reversal symmetry. We develop a method for computing the Hall viscosity of lattice systems in strong magnetic fields based on momentum transport, which we compare to the method of momentum polarization used by Tu et al. [Phys. Rev. B 88, 195412 (2013), 10.1103/PhysRevB.88.195412] and Zaletel et al. [Phys. Rev. Lett. 110, 236801 (2013), 10.1103/PhysRevLett.110.236801] for noninteracting systems. We compare the Hall viscosity of square-lattice tight-binding models in magnetic field to the continuum integer quantum Hall effect (IQHE) showing agreement when the magnetic length is much larger than the lattice constant, but deviation as the magnetic field strength increases. We also relate the Hall viscosity of relativistic electrons in magnetic field (the Dirac IQHE) to the conventional IQHE. The Hall viscosity of the lattice Dirac model in magnetic field agrees with the continuum Dirac Hall viscosity when the magnetic length is much larger than the lattice constant. We also show that the Hall viscosity of the lattice model deviates further from the continuum model if the C4 symmetry of the square lattice is broken to C2, but the deviation is again minimized as the magnetic length increases.
Smith, D A; Stephenson, D G
2011-06-01
The stability of the filament lattice in relaxed striated muscle can be viewed as a balance of electrostatic and van der Waals forces. The simplest electrostatic model, where actin and myosin filaments are treated as charged cylinders, generates reasonable lattice spacings for skinned fibers. However, this model predicts excessive radial stiffness under osmotic pressure and cannot account for the initial pressure (∼1 kPa) required for significant compression. Good agreement with frog compression data is obtained with an extended model, in which S1 heads are weakly attached to actin when the lattice spacing is reduced below a critical value; further compression moves fixed negative charges on the heads closer to the myofilament backbone as they attach at a more acute angle to actin. The model predicts pH data in which the lattice shrinks as pH is lowered and protons bind to filaments. Electrostatic screening implies that the lattice shrinks with increasing ionic strength, but the observed expansion of the frog lattice at ionic strengths above 0.1 M with KCl might be explained if Cl(-) binds to sites on the motor domain of S1. With myosin-myosin and actin-actin interactions, the predicted lattice spacing decreases slightly with sarcomere length, with a more rapid decrease when actin-myosin filament overlap is very small. PMID:21641314
NASA Technical Reports Server (NTRS)
Gayda, J.
1994-01-01
A specialized, microstructural lattice model, termed MCFET for combined Monte Carlo Finite Element Technique, has been developed to simulate microstructural evolution in material systems where modulated phases occur and the directionality of the modulation is influenced by internal and external stresses. Since many of the physical properties of materials are determined by microstructure, it is important to be able to predict and control microstructural development. MCFET uses a microstructural lattice model that can incorporate all relevant driving forces and kinetic considerations. Unlike molecular dynamics, this approach was developed specifically to predict macroscopic behavior, not atomistic behavior. In this approach, the microstructure is discretized into a fine lattice. Each element in the lattice is labeled in accordance with its microstructural identity. Diffusion of material at elevated temperatures is simulated by allowing exchanges of neighboring elements if the exchange lowers the total energy of the system. A Monte Carlo approach is used to select the exchange site while the change in energy associated with stress fields is computed using a finite element technique. The MCFET analysis has been validated by comparing this approach with a closed-form, analytical method for stress-assisted, shape changes of a single particle in an infinite matrix. Sample MCFET analyses for multiparticle problems have also been run and, in general, the resulting microstructural changes associated with the application of an external stress are similar to that observed in Ni-Al-Cr alloys at elevated temperatures. This program is written in FORTRAN for use on a 370 series IBM mainframe. It has been implemented on an IBM 370 running VM/SP and an IBM 3084 running MVS. It requires the IMSL math library and 220K of RAM for execution. The standard distribution medium for this program is a 9-track 1600 BPI magnetic tape in EBCDIC format.
Oester, Michael; Johansson, Magnus
2005-02-01
We consider a lattice model for waveguide arrays embedded in nonlinear Kerr media. Inclusion of nonlinear coupling results in many phenomena involving complex, phase-twisted, stationary modes. The norm (Poynting power) current of stable plane-wave solutions can be controlled in magnitude and direction, and may be reversed without symmetry-breaking perturbations. Also stable localized phase-twisted modes with zero current exist, which for particular parameter values may be compact and expressed analytically. The model also describes coupled Bose-Einstein condensates.
Porous Substrate Effects on Thermal Flows Through a Rev-Scale Finite Volume Lattice Boltzmann Model
NASA Astrophysics Data System (ADS)
Zarghami, Ahad; Francesco, Silvia Di; Biscarini, Chiara
2014-09-01
In this paper, fluid flows with enhanced heat transfer in porous channels are investigated through a stable finite volume (FV) formulation of the thermal lattice Boltzmann method (LBM). Temperature field is tracked through a double distribution function (DDF) model, while the porous media is modeled using Brinkman-Forchheimer assumptions. The method is tested against flows in channels partially filled with porous media and parametric studies are conducted to evaluate the effects of various parameters, highlighting their influence on the thermo-hydrodynamic behavior.
A probabilistic model of the electron transport in films of nanocrystals arranged in a cubic lattice
NASA Astrophysics Data System (ADS)
Kriegel, Ilka; Scotognella, Francesco
2016-08-01
The fabrication of nanocrystal (NC) films, starting from colloidal dispersion, is a very attractive topic in condensed matter physics community. NC films can be employed for transistors, light emitting diodes, laser, and solar cells. For this reason the understanding of the film conductivity is of major importance. In this paper we describe a probabilistic model that allow to predict the conductivity of the NC films, in this case of a cubic lattice of Lead Selenide NCs. The model is based on the hopping probability between NCs show a comparison with experimental data reported in literature.
NASA Astrophysics Data System (ADS)
Korobov, A.
2016-05-01
The shape of (nano)islands is among significant factors of the catalytic activity of supported catalysts. A lattice model of the reshaping under reaction conditions is suggested and studied by means of kinetic Monte Carlo simulations. It is rooted in experimental findings and is simplified as far as possible to still demonstrate reversible compact—ramified shape transitions. This simple model with complex behavior demonstrates several reshaping regimes and is considered as a possible sub-network of more realistic networks of heterogeneous catalytic reactions.
Resource utilization model for the algorithm to architecture mapping model
NASA Technical Reports Server (NTRS)
Stoughton, John W.; Patel, Rakesh R.
1993-01-01
The analytical model for resource utilization and the variable node time and conditional node model for the enhanced ATAMM model for a real-time data flow architecture are presented in this research. The Algorithm To Architecture Mapping Model, ATAMM, is a Petri net based graph theoretic model developed at Old Dominion University, and is capable of modeling the execution of large-grained algorithms on a real-time data flow architecture. Using the resource utilization model, the resource envelope may be obtained directly from a given graph and, consequently, the maximum number of required resources may be evaluated. The node timing diagram for one iteration period may be obtained using the analytical resource envelope. The variable node time model, which describes the change in resource requirement for the execution of an algorithm under node time variation, is useful to expand the applicability of the ATAMM model to heterogeneous architectures. The model also describes a method of detecting the presence of resource limited mode and its subsequent prevention. Graphs with conditional nodes are shown to be reduced to equivalent graphs with time varying nodes and, subsequently, may be analyzed using the variable node time model to determine resource requirements. Case studies are performed on three graphs for the illustration of applicability of the analytical theories.
Modeling flue pipes: Subsonic flow, lattice Boltzmann, and parallel distributed computers
NASA Astrophysics Data System (ADS)
Skordos, Panayotis A.
1995-01-01
The problem of simulating the hydrodynamics and the acoustic waves inside wind musical instruments such as the recorder the organ, and the flute is considered. The problem is attacked by developing suitable local-interaction algorithms and a parallel simulation system on a cluster of non-dedicated workstations. Physical measurements of the acoustic signal of various flue pipes show good agreement with the simulations. Previous attempts at this problem have been frustrated because the modeling of acoustic waves requires small integration time steps which make the simulation very compute-intensive. In addition, the simulation of subsonic viscous compressible flow at high Reynolds numbers is susceptible to slow-growing numerical instabilities which are triggered by high-frequency acoustic modes. The numerical instabilities are mitigated by employing suitable explicit algorithms: lattice Boltzmann method, compressible finite differences, and fourth-order artificial-viscosity filter. Further, a technique for accurate initial and boundary conditions for the lattice Boltzmann method is developed, and the second-order accuracy of the lattice Boltzmann method is demonstrated. The compute-intensive requirements are handled by developing a parallel simulation system on a cluster of non-dedicated workstations. The system achieves 80 percent parallel efficiency (speedup/processors) using 20 HP-Apollo workstations. The system is built on UNIX and TCP/IP communication routines, and includes automatic process migration from busy hosts to free hosts.
Grayscale lattice Boltzmann model for multiphase heterogeneous flow through porous media
NASA Astrophysics Data System (ADS)
Pereira, Gerald G.
2016-06-01
The grayscale lattice Boltzmann (LB) model has been recently developed to model single-phase fluid flow through heterogeneous porous media. Flow is allowed in each voxel but the degree of flow depends on that voxel's resistivity to fluid motion. Here we extend the grayscale LB model to multiphase, immiscible flow. The new model is outlined and then applied to a number of test cases, which show good agreement with theory. This method is subsequently used to model the important case where each voxel may have a different resistance to each particular fluid that is passing through it. Finally, the method is applied to model fluid flow through real porous media to demonstrate its capability. Both the capillary and viscous flow regimes are recovered in these simulations.
Grayscale lattice Boltzmann model for multiphase heterogeneous flow through porous media.
Pereira, Gerald G
2016-06-01
The grayscale lattice Boltzmann (LB) model has been recently developed to model single-phase fluid flow through heterogeneous porous media. Flow is allowed in each voxel but the degree of flow depends on that voxel's resistivity to fluid motion. Here we extend the grayscale LB model to multiphase, immiscible flow. The new model is outlined and then applied to a number of test cases, which show good agreement with theory. This method is subsequently used to model the important case where each voxel may have a different resistance to each particular fluid that is passing through it. Finally, the method is applied to model fluid flow through real porous media to demonstrate its capability. Both the capillary and viscous flow regimes are recovered in these simulations. PMID:27415381
B(s) 0-mixing matrix elements from lattice QCD for the Standard Model and beyond
NASA Astrophysics Data System (ADS)
Bazavov, A.; Bernard, C.; Bouchard, C. M.; Chang, C. C.; DeTar, C.; Du, Daping; El-Khadra, A. X.; Freeland, E. D.; Gámiz, E.; Gottlieb, Steven; Heller, U. M.; Kronfeld, A. S.; Laiho, J.; Mackenzie, P. B.; Neil, E. T.; Simone, J.; Sugar, R.; Toussaint, D.; Van de Water, R. S.; Zhou, Ran; Fermilab Lattice; MILC Collaborations
2016-06-01
We calculate—for the first time in three-flavor lattice QCD—the hadronic matrix elements of all five local operators that contribute to neutral B0- and Bs-meson mixing in and beyond the Standard Model. We present a complete error budget for each matrix element and also provide the full set of correlations among the matrix elements. We also present the corresponding bag parameters and their correlations, as well as specific combinations of the mixing matrix elements that enter the expression for the neutral B -meson width difference. We obtain the most precise determination to date of the SU(3)-breaking ratio ξ =1.206 (18 )(6 ), where the second error stems from the omission of charm-sea quarks, while the first encompasses all other uncertainties. The threefold reduction in total uncertainty, relative to the 2013 Flavor Lattice Averaging Group results, tightens the constraint from B mixing on the Cabibbo-Kobayashi-Maskawa (CKM) unitarity triangle. Our calculation employs gauge-field ensembles generated by the MILC Collaboration with four lattice spacings and pion masses close to the physical value. We use the asqtad-improved staggered action for the light-valence quarks and the Fermilab method for the bottom quark. We use heavy-light meson chiral perturbation theory modified to include lattice-spacing effects to extrapolate the five matrix elements to the physical point. We combine our results with experimental measurements of the neutral B -meson oscillation frequencies to determine the CKM matrix elements |Vt d|=8.00 (34 )(8 )×10-3, |Vt s|=39.0 (1.2 )(0.4 )×10-3, and |Vt d/Vt s|=0.2052 (31 )(10 ), which differ from CKM-unitarity expectations by about 2 σ . These results and others from flavor-changing-neutral currents point towards an emerging tension between weak processes that are mediated at the loop and tree levels.
NASA Astrophysics Data System (ADS)
Jurčišinová, E.; Jurčišin, M.
2016-02-01
We investigate the second order phase transitions of the ferromagnetic spin-1 Ising model on pure Husimi lattices built up from elementary squares with arbitrary values of the coordination number. It is shown that the critical temperatures of the second order phase transitions are driven by a single equation simultaneously on all such lattices. It is also shown that for arbitrary given value of the coordination number this equation is equivalent to the corresponding polynomial equation. The explicit form of these polynomial equations is present for the lattices with the coordination numbers z = 4 , 6, and 8. It is proven that, at least for the small values of the coordination number, the positions of the critical temperatures are uniquely determined. In addition, it is shown that the properties of all phases of the model are also driven by the corresponding single equations simultaneously on all pure Husimi lattices built up from elementary squares. The spontaneous magnetization of the model is investigated in detail.
Skill assessment of spatial maps for oceanographic modeling
NASA Astrophysics Data System (ADS)
Rose, Kenneth A.; Roth, Brian M.; Smith, Eric P.
2009-02-01
Comparing data-derived and model-generated spatial maps of key variables is a critical part of oceanographic model skill assessment. Yet, many comparisons resort to presenting the maps side-by-side and saying that the two maps look similar. We describe a suite of techniques for comparing 2-dimensional spatial maps that allow for fuzziness in the comparison and that are included in the Map Comparison Kit software package. These techniques included Kappa, Fuzzy Kappa, Moving Window, and Aggregated Cells. We also introduce a new measure that we call "slip-and-slide." The slip-and-slide technique is based on determining what has to be done (shift, rotate, re-scale axes) to the model map to get the model map to agree as close as possible to the data map. We simulated two commonly encountered spatial patterns on a 100 by 100 grid of cells (hotspot and gradient), and used the generated maps in two simulation experiments. The first experiment was designed to confirm that the new slip-and-slide method could recover known differences between the data and model maps (identical twin experiment), while the second experiment included all of the map comparison techniques applied to data and model maps that were generated from different response surfaces. The slip-and-slide method successfully recovered the known distortion parameters under ideal conditions and when the response variable differed in magnitude between the model and data maps. Slip-and-slide started to show some difficulty in recovering known distortion parameters when noise was added to the fit of the response surface used in the parameter searching. The second simulation experiment demonstrated the fuzzy techniques, and how the similarity between data and model maps can be quantified and evaluated using increasing degrees of fuzziness in the various techniques. The second simulation experiment also showed the success of the slip-and-slide method, as the various techniques all showed greater similarity between the
A lattice-based MRF model for dynamic near-regular texture tracking.
Lin, Wen-Chieh; Liu, Yanxi
2007-05-01
A near-regular texture (NRT) is a geometric and photometric deformation from its regular origin--a congruent wallpaper pattern formed by 2D translations of a single tile. A dynamic NRT is an NRT under motion. Although NRTs are pervasive in man-made and natural environments, effective computational algorithms for NRTs are few. This paper addresses specific computational challenges in modeling and tracking dynamic NRTs, including ambiguous correspondences, occlusions, and drastic illumination and appearance variations. We propose a lattice-based Markov-Random-Field (MRF) model for dynamic NRTs in a 3D spatiotemporal space. Our model consists of a global lattice structure that characterizes the topological constraint among multiple textons and an image observation model that handles local geometry and appearance variations. Based on the proposed MRF model, we develop a tracking algorithm that utilizes belief propagation and particle filtering to effectively handle the special challenges of the dynamic NRT tracking without any assumption on the motion types or lighting conditions. We provide quantitative evaluations of the proposed method against existing tracking algorithms and demonstrate its applications in video editing. PMID:17356199
A Model to Aid Topo-Map Interpretation
ERIC Educational Resources Information Center
Westerback, Mary
1976-01-01
Describes how to construct models of contour lines from flexible, colored bell wire. These models are used to illustrate three-dimensional terrain characteristics represented by contour lines printed on a flat map. (MLH)
Evolution of off-lattice model proteins under ligand binding constraints
NASA Astrophysics Data System (ADS)
Nelson, Erik D.; Grishin, Nick V.
2016-08-01
We investigate protein evolution using an off-lattice polymer model evolved to imitate the behavior of small enzymes. Model proteins evolve through mutations to nucleotide sequences (including insertions and deletions) and are selected to fold and maintain a specific binding site compatible with a model ligand. We show that this requirement is, in itself, sufficient to maintain an ordered folding domain, and we compare it to the requirement of folding an ordered (but otherwise unrestricted) domain. We measure rates of amino acid change as a function of local environment properties such as solvent exposure, packing density, and distance from the active site, as well as overall rates of sequence and structure change, both along and among model lineages in star phylogenies. The model recapitulates essentially all of the behavior found in protein phylogenetic analyses, and predicts that amino acid substitution rates vary linearly with distance from the binding site.
Evolution of off-lattice model proteins under ligand binding constraints.
Nelson, Erik D; Grishin, Nick V
2016-08-01
We investigate protein evolution using an off-lattice polymer model evolved to imitate the behavior of small enzymes. Model proteins evolve through mutations to nucleotide sequences (including insertions and deletions) and are selected to fold and maintain a specific binding site compatible with a model ligand. We show that this requirement is, in itself, sufficient to maintain an ordered folding domain, and we compare it to the requirement of folding an ordered (but otherwise unrestricted) domain. We measure rates of amino acid change as a function of local environment properties such as solvent exposure, packing density, and distance from the active site, as well as overall rates of sequence and structure change, both along and among model lineages in star phylogenies. The model recapitulates essentially all of the behavior found in protein phylogenetic analyses, and predicts that amino acid substitution rates vary linearly with distance from the binding site. PMID:27627338
Glass transition in the quenched and annealed version of the frustrated lattice gas model
NASA Astrophysics Data System (ADS)
Fierro, Annalisa; de Candia, Antonio; Coniglio, Antonio
2000-12-01
In this paper we study the three-dimensional frustrated lattice gas model in the annealed version, where the disorder is allowed to evolve in time with a suitable kinetic constraint. Although the model does not exhibit any thermodynamic transition it shows a diverging peak at some characteristic time in the dynamical nonlinear susceptibility, similar to the results on the p-spin model in mean field and the Lennard-Jones mixture recently found by Donati et al. (e-print cond-mat/9905433). Comparing these results to those obtained in the model with quenched interactions, we conclude that the critical behavior of the dynamical susceptibility is reminiscent of the thermodynamic transition present in the quenched model, and signaled by the divergence of the static nonlinear susceptibility, suggesting therefore a similar mechanism also in supercooled glass-forming liquids.
Entropic lattice Boltzmann model for gas dynamics: Theory, boundary conditions, and implementation
NASA Astrophysics Data System (ADS)
Frapolli, N.; Chikatamarla, S. S.; Karlin, I. V.
2016-06-01
We present in detail the recently introduced entropic lattice Boltzmann model for compressible flows [N. Frapolli et al., Phys. Rev. E 92, 061301(R) (2015), 10.1103/PhysRevE.92.061301]. The model is capable of simulating a wide range of laminar and turbulent flows, from thermal and weakly compressible flows to transonic and supersonic flows. The theory behind the construction of the model is laid out and its thermohydrodynamic limit is discussed. Based on this theory and the hydrodynamic limit thereof, we also construct the boundary conditions necessary for the simulation of solid walls. We present the inlet and outlet boundary conditions as well as no-slip and free-slip boundary conditions. Details necessary for the implementation of the compressible lattice Boltzmann model are also reported. Finally, simulations of compressible flows are presented, including two-dimensional supersonic and transonic flows around a diamond and a NACA airfoil, the simulation of the Schardin problem, and the three-dimensional simulation of the supersonic flow around a conical geometry.
Critical Casimir force and its fluctuations in lattice spin models: exact and Monte Carlo results.
Dantchev, Daniel; Krech, Michael
2004-04-01
We present general arguments and construct a stress tensor operator for finite lattice spin models. The average value of this operator gives the Casimir force of the system close to the bulk critical temperature T(c). We verify our arguments via exact results for the force in the two-dimensional Ising model, d -dimensional Gaussian, and mean spherical model with 2
Application of the S=1 underscreened Anderson lattice model to Kondo uranium and neptunium compounds
NASA Astrophysics Data System (ADS)
Thomas, Christopher; da Rosa Simões, Acirete S.; Iglesias, J. R.; Lacroix, C.; Perkins, N. B.; Coqblin, B.
2011-01-01
Magnetic properties of uranium and neptunium compounds showing the coexistence of the Kondo screening effect and ferromagnetic order are investigated within the Anderson lattice Hamiltonian with a two-fold degenerate f level in each site, corresponding to 5f2 electronic configuration with S=1 spins. A derivation of the Schrieffer-Wolff transformation is presented and the resulting Hamiltonian has an effective f-band term, in addition to the regular exchange Kondo interaction between the S=1 f spins and the s=1/2 spins of the conduction electrons. The resulting effective Kondo lattice model can describe both the Kondo regime and a weak delocalization of the 5f electrons. Within this model we compute the Kondo and Curie temperatures as a function of model parameters, namely the Kondo exchange interaction constant JK, the magnetic intersite exchange interaction JH, and the effective f bandwidth. We deduce, therefore, a phase diagram of the model which yields the coexistence of the Kondo effect and ferromagnetic ordering and also accounts for the pressure dependence of the Curie temperature of uranium compounds such as UTe.
NASA Astrophysics Data System (ADS)
Huang, Rongzong; Wu, Huiying
2015-03-01
A lattice Boltzmann (LB) model for the convection-diffusion equation (CDE) with divergence-free velocity field is proposed, and the Chapman-Enskog analysis shows that the CDE can be recovered correctly. In the present model, the convection term is treated as a source term in the lattice Boltzmann equation (LBE) rather than being directly recovered by LBE; thus the CDE is intrinsically solved as a pure diffusion equation with a corresponding source term. To avoid the adoption of a nonlocal finite-difference scheme for computing the convection term, a local scheme is developed based on the Chapman-Enskog analysis. Most importantly, by properly specifying the discrete source term in the moment space, the local scheme can reach the same order (ɛ2) at which the CDE is recovered by a LB model. Numerical tests, including a one-dimensional periodic problem, diffusion of a Gaussian hill, diffusion of a rectangular pulse, and natural convection in a square cavity, are carried out to verify the present model. Numerical results are satisfactorily consistent with analytical solutions or previous numerical results, and show higher accuracy due to the correct recovery of CDE.
Parameterized Lattice Strain Models for REE Partitioning between Amphibole and Silicate Melt
NASA Astrophysics Data System (ADS)
Shimizu, K.; Liang, Y.; Sun, C.; Jackson, C.; Saal, A. E.
2015-12-01
The distribution of REE between amphibole and silicate melt is important for understanding a variety of igneous processes involving amphibole. In general, amphibole-melt REE partition coefficients (DREE) depend on pressure (P), temperature (T), and compositions of amphibole and melt. A previous study parameterized the DREE in amphibole-melt solely as a function of melt composition [1]. Here, we use published REE partitioning data between amphibole and basaltic melt, the lattice strain model [2], and non-linear least squares regression method to parameterize key partitioning parameters in the lattice strain model (D0, r0, and E) as a function of P, T, and both amphibole and melt compositions. We focus on experimental data obtained by LA-ICP-MS and ion probe, and experiments close to equilibrium. Amphiboles and coexisting melts from the 38 experiments that we compiled span a wide range of compositions with the Mg# of amphibole and melt ranging from 36 to 100 and 15 to 99, respectively. Two models, which give nearly identical results, are explored in this study. In the first model, D0 is a function of T and amphibole composition: it negatively correlates with T and MgM1,2,3 content in amphibole, and positively correlates with TiM1,2,3 content in amphibole. In the second model, D0 is solely a function of the melt composition: it negatively correlates with the mole fraction of Ca in the melt. Interestingly, r0 and E are both constant and identical between the two models, suggesting D0 in the two models are equivalent. The latter allows us to develop a new thermometer for amphibole-melt equilibria. As an independent test, we compared model-derived temperatures with those reported in the phase equilibrium experiments. The predicted temperatures are within ±41°C on average of the reported temperatures, adding confidence to our parameterizations of D0. Our two parameterized lattice strain models can be used to model REE fractionation between amphibole and basaltic melts
Crystallographic Lattice Boltzmann Method.
Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh
2016-01-01
Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098
Crystallographic Lattice Boltzmann Method
Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh
2016-01-01
Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows. PMID:27251098
Crystallographic Lattice Boltzmann Method
NASA Astrophysics Data System (ADS)
Namburi, Manjusha; Krithivasan, Siddharth; Ansumali, Santosh
2016-06-01
Current approaches to Direct Numerical Simulation (DNS) are computationally quite expensive for most realistic scientific and engineering applications of Fluid Dynamics such as automobiles or atmospheric flows. The Lattice Boltzmann Method (LBM), with its simplified kinetic descriptions, has emerged as an important tool for simulating hydrodynamics. In a heterogeneous computing environment, it is often preferred due to its flexibility and better parallel scaling. However, direct simulation of realistic applications, without the use of turbulence models, remains a distant dream even with highly efficient methods such as LBM. In LBM, a fictitious lattice with suitable isotropy in the velocity space is considered to recover Navier-Stokes hydrodynamics in macroscopic limit. The same lattice is mapped onto a cartesian grid for spatial discretization of the kinetic equation. In this paper, we present an inverted argument of the LBM, by making spatial discretization as the central theme. We argue that the optimal spatial discretization for LBM is a Body Centered Cubic (BCC) arrangement of grid points. We illustrate an order-of-magnitude gain in efficiency for LBM and thus a significant progress towards feasibility of DNS for realistic flows.
Critical points of the O(n) loop model on the martini and the 3-12 lattices
NASA Astrophysics Data System (ADS)
Ding, Chengxiang; Fu, Zhe; Guo, Wenan
2012-06-01
We derive the critical line of the O(n) loop model on the martini lattice as a function of the loop weight n basing on the critical points on the honeycomb lattice conjectured by Nienhuis [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.49.1062 49, 1062 (1982)]. In the limit n→0 we prove the connective constant μ=1.7505645579⋯ of self-avoiding walks on the martini lattice. A finite-size scaling analysis based on transfer matrix calculations is also performed. The numerical results coincide with the theoretical predictions with a very high accuracy. Using similar numerical methods, we also study the O(n) loop model on the 3-12 lattice. We obtain similarly precise agreement with the critical points given by Batchelor [J. Stat. Phys.JSTPBS0022-471510.1023/A:1023065215233 92, 1203 (1998)].
Critical points of the O(n) loop model on the martini and the 3-12 lattices.
Ding, Chengxiang; Fu, Zhe; Guo, Wenan
2012-06-01
We derive the critical line of the O(n) loop model on the martini lattice as a function of the loop weight n basing on the critical points on the honeycomb lattice conjectured by Nienhuis [Phys. Rev. Lett. 49, 1062 (1982)]. In the limit n→0 we prove the connective constant μ=1.7505645579⋯ of self-avoiding walks on the martini lattice. A finite-size scaling analysis based on transfer matrix calculations is also performed. The numerical results coincide with the theoretical predictions with a very high accuracy. Using similar numerical methods, we also study the O(n) loop model on the 3-12 lattice. We obtain similarly precise agreement with the critical points given by Batchelor [J. Stat. Phys. 92, 1203 (1998)]. PMID:23005148
Monte Carlo simulation of flux lattice melting in a model high- T sub c superconductor
Ryu, S.; Doniach, S.; Deutscher, G.; Kapitulnik, A. School of Physics and Astronomy, Tel Aviv University, Ramat-Aviv 69978 )
1992-02-03
We studied flux lattice melting in a model high-{ital T}{sub {ital c}} superconductor by Monte Carlo simulation in terms of vortex variables. We identify two melting curves in the {ital B}-{ital T} phase diagram and evaluate a density-dependent Lindemann criterion number for melting. We also observe that the transition temperature shifts downward toward the two-dimensional melting limit as the density of flux lines increases. Although the transition temperature does not change, a significant difference in shear modulus is observed when flux cutting or reconnection is allowed.
On the steady-state solutions of a nonlinear photonic lattice model
NASA Astrophysics Data System (ADS)
Liu, Chungen; Ren, Qiang
2015-03-01
In this paper, we consider the steady-state solutions of the following equation related with nonlinear photonic lattice model Δ u = /P u 1 + |u|2 + |v|2 + λ u , Δ v = /Q v 1 + |u|2 + |v|2 + λ v , where u, v are real-value function defined on R/(τ1Z) × R/(τ2Z). The existence and non-existence of non-constant semi-trivial (with only one component zero) solutions are considered.
On the steady-state solutions of a nonlinear photonic lattice model
Liu, Chungen E-mail: tjftp@mail.nankai.edu.cn; Ren, Qiang E-mail: tjftp@mail.nankai.edu.cn
2015-03-15
In this paper, we consider the steady-state solutions of the following equation related with nonlinear photonic lattice model Δu=(Pu)/(1+|u|{sup 2}+|v|{sup 2}) +λu, Δv=(Qv)/(1+|u|{sup 2}+|v|{sup 2}) +λv, where u, v are real-value function defined on R/(τ{sub 1}Z) × R/(τ{sub 2}Z). The existence and non-existence of non-constant semi-trivial (with only one component zero) solutions are considered.
Phase structure, magnetic monopoles, and vortices in the lattice Abelian Higgs model
Ranft, J.; Kripfganz, J.; Ranft, G.
1983-07-15
We present Monte Carlo calculations of lattice Abelian Higgs models in four dimensions and with charges of the Higgs particles equal to q = 1, 2, and 6. The phase transitions are studied in the plane of the two coupling constants considering separately average plaquette and average link expectation values. The density of topological excitations is studied. In the confinement phase we find finite densities of magnetic-monopole currents, electric currents, and vortex currents. The magnetic-monopole currents vanish exponentially in the Coulomb phase. The density of electric currents and vortex currents is finite in the Coulomb phase and vanishes exponentially in the Higgs phase.
NASA Astrophysics Data System (ADS)
Joo, Jaewook; Lebowitz, Joel L.
2004-09-01
We investigate the time evolution and steady states of the stochastic susceptible-infected-recovered-susceptible (SIRS) epidemic model on one- and two-dimensional lattices. We compare the behavior of this system, obtained from computer simulations, with those obtained from the mean-field approximation (MFA) and pair approximation (PA). The former (latter) approximates higher-order moments in terms of first- (second-) order ones. We find that the PA gives consistently better results than the MFA. In one dimension, the improvement is even qualitative.
A low-temperature derivation of spin spin exchange in Kondo lattice model
NASA Astrophysics Data System (ADS)
Feng, Sze-Shiang; Mochena, Mogus
2005-11-01
Using Hubbard-Stratonovich transformation and drone-fermion representations for spin-1/2 > and for spin-3/2, which is presented for the first time, we make a path-integral formulation of the Kondo lattice model. In the case of weak coupling and low temperature, the functional integral over conduction fermions can be approximated to the quadratic order and this gives the well-known RKKY interaction. In the case of strong coupling, the same quadratic approximation leads to an effective local spin-spin interaction linear in hopping energy t.
Pertermann, D.; Ranft, J.
1986-09-15
We introduce a simplicial pseudorandom version of lattice gauge theory. In this formulation it is possible to interpolate continuously between a regular simplicial lattice and a pseudorandom lattice. Using this method we study a simple three-dimensional Abelian lattice gauge theory. Calculating average plaquette expectation values, we find an extremum of the action for our regular simplicial lattice. Such a behavior was found in analytical studies in one and two dimensions.
Aoki phases in the lattice Gross-Neveu model with flavored mass terms
Creutz, Michael; Kimura, Taro; Misumi, Tatsuhiro
2011-05-01
We investigate the parity-broken phase structure for staggered and naive fermions in the Gross-Neveu model as a toy model of QCD. We consider a generalized staggered Gross-Neveu model including two types of four-point interactions. We use generalized mass terms to split the doublers for both staggered and naive fermions. The phase boundaries derived from the gap equations show that the mass splitting of tastes results in an Aoki phase both in the staggered and naive cases. We also discuss the continuum limit of these models and explore taking the chirally symmetric limit by fine-tuning a mass parameter and two-coupling constants. This supports the idea that in lattice QCD we can derive one- or two-flavor staggered fermions by tuning the mass parameter, which are likely to be less expensive than Wilson fermions in QCD simulation.
A modified multiple-relaxation-time lattice Boltzmann model for convection-diffusion equation
NASA Astrophysics Data System (ADS)
Huang, Rongzong; Wu, Huiying
2014-10-01
A modified lattice Boltzmann model with multiple relaxation times (MRT) for the convection-diffusion equation (CDE) is proposed. By modifying the relaxation matrix, as well as choosing the corresponding equilibrium distribution function properly, the present model can recover the CDE with anisotropic diffusion coefficient with no deviation term even when the velocity vector varies generally with space or time through the Chapman-Enskog analysis. This model is firstly validated by simulating the diffusion of a Gaussian hill, which demonstrates it can handle the anisotropic diffusion problem correctly. Then it is adopted to calculate the longitudinal dispersion coefficient of the Taylo-Aris dispersion. Numerical results show that the present model can further reduce the numerical error under the condition of non-zero velocity vector, especially when the dimensionless relaxation time is relatively large.
Devil's staircase in a quantum dimer model on the hexagonal lattice
NASA Astrophysics Data System (ADS)
Barthel, Thomas; Misguich, Grégoire; Schlittler, Thiago M.; Vidal, Julien; Mosseri, Rémy
Quantum dimer models appear in different contexts when describing dynamics in constrained low-energy manifolds, such as for frustrated Ising models in weak transverse fields. In this talk, I address a particularly interesting case, where a quantum dimer model on the hexagonal lattice, in addition to the standard Rokhsar-Kivelson Hamiltonian, includes a competing potential term, counting dimer-free hexagons. It has a rich zero-temperature phase diagram that comprises a cascade of rapidly changing flux quantum numbers (tilt in the height language). This cascade is partially of fractal nature and the model provides, in particular, a microscopic realization of the ``devil's staircase'' scenario [E. Fradkin et al. Phys. Rev. B 69, 224415 (2004)]. We have studied the system by means of quantum Monte-Carlo simulations and the results can be explained using perturbation theory, RG, and variational arguments.References: arXiv:1507.04643, arXiv:1501.02242.
Lattice Boltzmann modeling of permeability in porous materials with partially percolating voxels.
Li, Ruru; Yang, Y Sam; Pan, Jinxiao; Pereira, Gerald G; Taylor, John A; Clennell, Ben; Zou, Caineng
2014-09-01
A partial-bounce-back lattice Boltzmann model has been used to simulate flow on a lattice consisting of cubic voxels with a locally varying effective percolating fraction. The effective percolating fraction of a voxel is the total response to the partial-bounce-back techniques for porous media flow due to subvoxel fine structures. The model has been verified against known analytic solutions on two- and three-dimensional regular geometries, and has been applied to simulate flow and permeabilities of two real-world rock samples. This enables quantitative determination of permeability for problems where voxels cannot be adequately segmented as discrete compositions. The voxel compositions are represented as volume fractions of various material phases and void. The numerical results have shown that, for the tight-sandstone sample, the bulk permeability is sensitive to the effective percolating fraction of calcite. That is, the subvoxel flow paths in the calcite phase are important for bulk permeability. On the other hand, flow in the calcite phase in the sandstone sample makes an insignificant contribution to the bulk permeability. The calculated permeability value for the sandstone sample is up to two orders of magnitude greater than the tight sandstone. This model is generic and could be applied to other oil and gas reservoir media or to material samples. PMID:25314558
Tricriticality of the Blume-Emery-Griffiths model in thin films of stacked triangular lattices
NASA Astrophysics Data System (ADS)
El Hog, Sahbi; Diep, H. T.
2016-03-01
We study in this paper the Blume-Emery-Griffiths model in a thin film of stacked triangular lattices. The model is described by three parameters: bilinear exchange interaction between spins J, quadratic exchange interaction K and single-ion anisotropy D. The spin Si at the lattice site i takes three values (-1, 0, +1). This model can describe the mixing phase of He-4 (Si = +1,-1) and He-3 (Si = 0) at low temperatures. Using Monte Carlo simulations, we show that there exists a critical value of D below (above) which the transition is of second-(first-)order. In general, the temperature dependence of the concentrations of He-3 is different from layer by layer. At a finite temperature in the superfluid phase, the film surface shows a deficit of He-4 with respect to interior layers. However, effects of surface interaction parameters can reverse this situation. Effects of the film thickness on physical properties will be also shown as functions of temperature.
Phase-field-based lattice Boltzmann finite-difference model for simulating thermocapillary flows.
Liu, Haihu; Valocchi, Albert J; Zhang, Yonghao; Kang, Qinjun
2013-01-01
A phase-field-based hybrid model that combines the lattice Boltzmann method with the finite difference method is proposed for simulating immiscible thermocapillary flows with variable fluid-property ratios. Using a phase field methodology, an interfacial force formula is analytically derived to model the interfacial tension force and the Marangoni stress. We present an improved lattice Boltzmann equation (LBE) method to capture the interface between different phases and solve the pressure and velocity fields, which can recover the correct Cahn-Hilliard equation (CHE) and Navier-Stokes equations. The LBE method allows not only use of variable mobility in the CHE, but also simulation of multiphase flows with high density ratio because a stable discretization scheme is used for calculating the derivative terms in forcing terms. An additional convection-diffusion equation is solved by the finite difference method for spatial discretization and the Runge-Kutta method for time marching to obtain the temperature field, which is coupled to the interfacial tension through an equation of state. The model is first validated against analytical solutions for the thermocapillary driven convection in two superimposed fluids at negligibly small Reynolds and Marangoni numbers. It is then used to simulate thermocapillary migration of a three-dimensional deformable droplet and bubble at various Marangoni numbers and density ratios, and satisfactory agreement is obtained between numerical results and theoretical predictions. PMID:23410429
Gauge-invariant implementation of the Abelian-Higgs model on optical lattices
NASA Astrophysics Data System (ADS)
Bazavov, A.; Meurice, Y.; Tsai, S.-W.; Unmuth-Yockey, J.; Zhang, Jin
2015-10-01
We present a gauge-invariant effective action for the Abelian-Higgs model (scalar electrodynamics) with a chemical potential μ on a (1 +1 )-dimensional lattice. This formulation provides an expansion in the hopping parameter κ which we test with Monte Carlo simulations for a broad range of the inverse gauge coupling βp l=1 /g2 and small values of the scalar self-coupling λ . In the opposite limit of infinitely large λ , the partition function can be written as a traced product of local tensors which allows us to write exact blocking formulas. Gauss's law is automatically satisfied and the introduction of μ has consequences only if we have an external electric field, g2=0 or an explicit gauge symmetry breaking. The time-continuum limit of the blocked transfer matrix can be obtained numerically and, for g2=0 and a spin-1 truncation, the small volume energy spectrum is identical to the low energy spectrum of a two-species Bose-Hubbard model in the limit of large on-site repulsion. We extend this procedure for finite βp l and derive a spin-1 approximation of the Hamiltonian. It involves new terms corresponding to transitions among the two species in the Bose-Hubbard model. We propose an optical lattice implementation involving a ladder structure.
Lefschetz thimble structure in one-dimensional lattice Thirring model at finite density
NASA Astrophysics Data System (ADS)
Fujii, Hirotsugu; Kamata, Syo; Kikukawa, Yoshio
2015-11-01
We investigate Lefschetz thimble structure of the complexified path-integration in the one-dimensional lattice massive Thirring model with finite chemical potential. The lattice model is formulated with staggered fermions and a compact auxiliary vector boson (a link field), and the whole set of the critical points (the complex saddle points) are sorted out, where each critical point turns out to be in a one-to-one correspondence with a singular point of the effective action (or a zero point of the fermion determinant). For a subset of critical point solutions in the uniform-field subspace, we examine the upward and downward cycles and the Stokes phenomenon with varying the chemical potential, and we identify the intersection numbers to determine the thimbles contributing to the path-integration of the partition function. We show that the original integration path becomes equivalent to a single Lefschetz thimble at small and large chemical potentials, while in the crossover region multiple thimbles must contribute to the path integration. Finally, reducing the model to a uniform field space, we study the relative importance of multi-thimble contributions and their behavior toward continuum and low-temperature limits quantitatively, and see how the rapid crossover behavior is recovered by adding the multi-thimble contributions at low temperatures. Those findings will be useful for performing Monte-Carlo simulations on the Lefschetz thimbles.
NASA Astrophysics Data System (ADS)
Long, W.
2005-12-01
Responding to changes in the environment is a fundamental property of a living bacterium. Chemotaxis, the migration of microorganisms under the influence of a chemical gradient, navigates bacteria to an optimum environment. Chemotactic bacteria can either move towards a chemoattractant following a chemical gradient, or move away from a chemorepellent. Understanding chemotactic behavior is important for understanding biodegradation in groundwater systems. A numerical model based on a Lattice-Boltzmann method was developed to simulate chemotaxis in free liquids and porous media. This model accounts for bacterial chemotaxis and reactive transport of a chemoattractant. The microorganisms and chemoattractant are represented by quasi-particles that move, collide, and react with each other on a three-dimensional numerical lattice. The model was validated by simulating experiments on the degradation of naphthalene by Pseudomonas putida in a capillary tube containing either bulk liquid or glass beads. The agreement between the simulation results and the experimental data is excellent. From the simulations, we found that a fraction of bacteria detaches from the bacterial reservoir to form a traveling band, which enhances naphthalene removal in the capillary tube. In another set of simulations, we showed that bacterial chemotaxis may significantly effect and improve the biodegradation of a contaminant in flowing groundwater.
Gutzwiller approach to the Anderson lattice model with no orbital degeneracy
NASA Astrophysics Data System (ADS)
Vulović, Vladimir Z.; Abrahams, Elihu
1987-08-01
A new technique is used to obtain the Gutzwiller ground-state energy functional for the Anderson lattice model with no orbital degeneracy (ALM). For the Hubbard model, known expressions are derived with ease and simplicity. For the ALM, we derive the ground-state energy functional of Varma, Weber, and Randall. As a check on our Gutzwiller functional, we find an independent analytical upper bound for the ground-state energy of ALM with a dispersionless f band. For the case of a dispersionless f band and momentum-independent hybridization, in the Kondo regime, we derive analytical expressions for the ground-state energy, charge, and magnetic susceptibilities. For the special case of infinite Coulomb repulsion, we recover results of Rice and Ueda and of Fazekas and Brandow, notably the negative value of the magnetic susceptibility. The negative magnetic susceptibility persists in the entire Kondo region, i.e., finite-U effects do not stabilize the nonmagnetic Kondo state. This suggests that nonzero orbital degeneracy in the Anderson lattice model must be retained to describe heavy-fermion materials with a normal Fermi liquid ground state.
Critical dynamics of the jamming transition in one-dimensional nonequilibrium lattice-gas models
NASA Astrophysics Data System (ADS)
Priyanka; Jain, Kavita
2016-04-01
We consider several one-dimensional driven lattice-gas models that show a phase transition in the stationary state between a high-density fluid phase in which the typical length of a hole cluster is of order unity and a low-density jammed phase where a hole cluster of macroscopic length forms in front of a particle. Using a hydrodynamic equation for an interface growth model obtained from the driven lattice-gas models of interest here, we find that in the fluid phase, the roughness exponent and the dynamic exponent that, respectively, characterize the scaling of the saturation width and the relaxation time of the interface with the system size are given by the Kardar-Parisi-Zhang exponents. However, at the critical point, we show analytically that when the equal-time density-density correlation function decays slower than inverse distance, the roughness exponent varies continuously with a parameter in the hop rates, but it is one-half otherwise. Using these results and numerical simulations for the density-density autocorrelation function, we further find that the dynamic exponent z =3 /2 in all cases.
Execution models for mapping programs onto distributed memory parallel computers
NASA Technical Reports Server (NTRS)
Sussman, Alan
1992-01-01
The problem of exploiting the parallelism available in a program to efficiently employ the resources of the target machine is addressed. The problem is discussed in the context of building a mapping compiler for a distributed memory parallel machine. The paper describes using execution models to drive the process of mapping a program in the most efficient way onto a particular machine. Through analysis of the execution models for several mapping techniques for one class of programs, we show that the selection of the best technique for a particular program instance can make a significant difference in performance. On the other hand, the results of benchmarks from an implementation of a mapping compiler show that our execution models are accurate enough to select the best mapping technique for a given program.
Chaotic and stable perturbed maps: 2-cycles and spatial models
NASA Astrophysics Data System (ADS)
Braverman, E.; Haroutunian, J.
2010-06-01
As the growth rate parameter increases in the Ricker, logistic and some other maps, the models exhibit an irreversible period doubling route to chaos. If a constant positive perturbation is introduced, then the Ricker model (but not the classical logistic map) experiences period doubling reversals; the break of chaos finally gives birth to a stable two-cycle. We outline the maps which demonstrate a similar behavior and also study relevant discrete spatial models where the value in each cell at the next step is defined only by the values at the cell and its nearest neighbors. The stable 2-cycle in a scalar map does not necessarily imply 2-cyclic-type behavior in each cell for the spatial generalization of the map.
Modeling and Analysis of Information Product Maps
ERIC Educational Resources Information Center
Heien, Christopher Harris
2012-01-01
Information Product Maps are visual diagrams used to represent the inputs, processing, and outputs of data within an Information Manufacturing System. A data unit, drawn as an edge, symbolizes a grouping of raw data as it travels through this system. Processes, drawn as vertices, transform each data unit input into various forms prior to delivery…
Local Scale Transformations on the Lattice with Tensor Network Renormalization
NASA Astrophysics Data System (ADS)
Evenbly, G.; Vidal, G.
2016-01-01
Consider the partition function of a classical system in two spatial dimensions, or the Euclidean path integral of a quantum system in two space-time dimensions, both on a lattice. We show that the tensor network renormalization algorithm [G. Evenbly and G. Vidal Phys. Rev. Lett. 115, 180405 (2015)] can be used to implement local scale transformations on these objects, namely, a lattice version of conformal maps. Specifically, we explain how to implement the lattice equivalent of the logarithmic conformal map that transforms the Euclidean plane into a cylinder. As an application, and with the 2D critical Ising model as a concrete example, we use this map to build a lattice version of the scaling operators of the underlying conformal field theory, from which one can extract their scaling dimensions and operator product expansion coefficients.
Local Scale Transformations on the Lattice with Tensor Network Renormalization.
Evenbly, G; Vidal, G
2016-01-29
Consider the partition function of a classical system in two spatial dimensions, or the Euclidean path integral of a quantum system in two space-time dimensions, both on a lattice. We show that the tensor network renormalization algorithm [G. Evenbly and G. Vidal Phys. Rev. Lett. 115, 180405 (2015)] can be used to implement local scale transformations on these objects, namely, a lattice version of conformal maps. Specifically, we explain how to implement the lattice equivalent of the logarithmic conformal map that transforms the Euclidean plane into a cylinder. As an application, and with the 2D critical Ising model as a concrete example, we use this map to build a lattice version of the scaling operators of the underlying conformal field theory, from which one can extract their scaling dimensions and operator product expansion coefficients. PMID:26871313
Development and validation of a 3D Lattice Boltzmann model for volcano aeroacoustics
NASA Astrophysics Data System (ADS)
Brogi, Federico; Bonadonna, Costanza; Ripepe, Maurizio; Chopard, Bastien; Malaspinas, Orestis; Latt, Jonas; Falcone, Jean-Luc
2015-04-01
Infrasound measurements have a great potential for the real time characterization of volcanic plume source parameters [Ripepe et al., 2013]. Nonetheless many shortcomings have been highlighted in the understanding of the infrasound monitoring. In particular, the application of the classical acoustic source models to volcanic explosive eruptions has shown to be challenging and a better knowledge of the link between the acoustic radiation and actual volcanic fluid dynamics processes is required. New insights into this subject could be given by the study of realistic aeroacoustic numerical simulations of a volcanic jet. Our work mainly focuses on developing and validating such numerical model to determine when and if classical model source theory can be applied to explain volcanic infrasound data. Lattice Boltzmann strategies (LB) provide the opportunity to develop an accurate, computationally fast, 3D physical model for a volcanic jet and wave propagation. In the field of aeroacoustic applications, dedicated LB schemes has been proven to have the low dispersion and dissipative properties needed for capturing the weak acoustic pressure fluctuations. However, when dealing with simulations of realistic flows, artificial boundaries are defined around the flow region. The reflected waves from these boundaries can have significant influence on the flow field and overwhelm the acoustic field of interest. A special absorbing boundary layer has been implemented in our model to suppress the reflected waves [Xu et al., 2013]. In addition, for highly multi-scale turbulent flows, such as volcanic plumes, the number of grid points needed to represent the smallest scales might become intractable and the most complicated physics happen only in small portions of the computational domain. The implementation of the grid refinement, in our model allow us to insert local finer grids only where is actually needed [Lagrava et al., 2012] and to increase the size of the computational domain
Solution of a model of self-avoiding walks with multiple monomers per site on the Husimi lattice.
Oliveira, Tiago J; Stilck, Jürgen F; Serra, Pablo
2008-04-01
We solve a model of self-avoiding walks which allows for a site to be visited up to two times by the walk on the Husimi lattice. This model is inspired in the Domb-Joyce model and was proposed to describe the collapse transition of polymers with one-site interactions only. We consider the version in which immediate self-reversals of the walk are forbidden. The phase diagram we obtain for the grand-canonical version of the model is similar to the one found in the solution of the Bethe lattice, with two distinct polymerized phases: a tricritical point and a critical endpoint. PMID:18517574
Bak–Tang–Wiesenfeld model on the square site-percolation lattice
NASA Astrophysics Data System (ADS)
Najafi, M. N.
2016-08-01
The Bak–Tang–Wiesenfeld (BTW) model is considered on the site-diluted square lattice, tuned by the occupancy probability p. Various statistical observables of the avalanches are analyzed in terms of p, e.g. the fractal dimension of their exterior frontiers, gyration radius, loop lengths and Green’s function. The model exhibits critical behavior for all amounts of p, and the exponents of the statistical observables are analyzed. We find a distinct universality class at p={p}c, which is unstable towards a p = 1 (BTW) fixed point. This universality class displays some common features such as a two-dimensional (2D) Ising universality class, e.g. the fractal dimension of loops in the thermodynamic limit is {D}Fp={pc}=1.38\\mp 0.01 which is compatible with the fractal dimension of geometrical spin clusters of the 2D critical Ising model (with {D}F{{Ising}}=\\tfrac{11}{8}).
Wells, J.T. . Dept. of Geological Sciences); Janecky, D.R.; Travis, B.J. )
1990-01-15
A lattice gas automata (LGA) model is described, which couples solute transport with chemical reactions at mineral surfaces and in pore networks. Chemical reactions and transport are integrated into a FHP-I LGA code as a module so that the approach is readily transportable to other codes. Diffusion in a box calculations are compared to finite element Fickian diffusion results and provide an approach to quantifying space-time ratios of the models. Chemical reactions at solid surfaces, including precipitation/dissolution, sorption, and catalytic reaction, can be examined with the model because solute diffusion and mineral surface processes are all treated explicitly. The simplicity and flexibility of the LGA approach provides the ability to study the interrelationship between fluid flow and chemical reactions in porous materials, at a level of complexity that has not previously been computationally possible. 20 refs., 8 figs.
Simple off-lattice model to study the folding and aggregation of peptides
NASA Astrophysics Data System (ADS)
Combe, Nicolas; Frenkel, Daan
We present a numerical study of a new protein model. This off-lattice model takes into account both the hydrogen bonds and the amino-acid interactions. It reproduces the folding of a small protein (peptide): morphological analysis of the conformations at low temperature shows two well-known substructures α-helix and β-sheet depending on the chosen sequence. The folding pathway in the scope of this model is studied through a free-energy analysis. We then study the aggregation of proteins. Proteins in the aggregate are mainly bound via hydrogen bonds. Performing a free-energy analysis we show that the addition of a peptide to such an aggregate is not favourable. We qualitatively reproduce the abnormal aggregation of proteins in prion diseases.
Description of pollutant dispersion in an urban street canyon using a two-dimensional lattice model
NASA Astrophysics Data System (ADS)
Jiménez-Horrnero, F. J.; Giráldez, J. V.; Gutiérrez de Ravé, E.; Moral, F. J.
The pollutant dispersion in a street canyon has been described in this work by using an isothermal two-dimensional lattice model coupled to the Smagorinsky sub-grid scale model. The influence of the ratio between the height of the upstream and downstream canyon walls, as well as the gap distance between them on the flow pattern, was analyzed considering the situations of 'open country' or isolated street canyon and 'urban roughness' in which the influence of an urban fabric was considered. The model determined the trajectories of a large number of passive tracer particles released in the computational domain, making it easy to visualize the flow regimes established in each case. The results agreed with the observations reported from the experiments showing a strong influence on the flow inside the canyon exerted by the upstream landscape configuration.
Plaquette order in the SU(6) Heisenberg model on the honeycomb lattice
NASA Astrophysics Data System (ADS)
Nataf, Pierre; Lajkó, Miklós; Corboz, Philippe; Läuchli, Andreas M.; Penc, Karlo; Mila, Frédéric
2016-05-01
We revisit the SU(6) Heisenberg model on the honeycomb lattice, which has been predicted to be a chiral spin liquid by mean-field theory [G. Szirmai et al., Phys. Rev. A 84, 011611(R) (2011), 10.1103/PhysRevA.84.011611]. Using exact diagonalizations of finite clusters, infinite projected entangled pair state simulations, and variational Monte Carlo simulations based on Gutzwiller projected wave functions, we provide strong evidence that the model with one particle per site and nearest-neighbor exchange actually develops plaquette order. This is further confirmed by the investigation of the model with a ring-exchange term, which shows that there is a transition between the plaquette state and the chiral state at a finite value of the ring-exchange term.
Lattice Modeling and Calibration with Turn-by-Turn Orbit Data
Huang, X.; Sebek, J.; Martin, D.; /SLAC
2011-04-05
A new method that explores turn-by-turn BPM data to calibrate lattice models of accelerators is proposed. The turn-by-turn phase space coordinates at one location of the ring are first established using data from two BPMs separated by a simple section with a known transfer matrix, such as a drift space. The phase space coordinates are then tracked with the model to predict positions at other BPMs, which can be compared to measurements. The model is adjusted to minimize the difference between the measured and predicted orbit data. BPM gains and rolls are included as fitting variables. This technique can be applied to either the entire or a section of the ring. We have tested the method experimentally on a part of the SPEAR3 ring.
Duality and Fisher zeros in the two-dimensional Potts model on a square lattice
NASA Astrophysics Data System (ADS)
Astorino, Marco; Canfora, Fabrizio
2010-05-01
A phenomenological approach to the ferromagnetic two-dimensional (2D) Potts model on square lattice is proposed. Our goal is to present a simple functional form that obeys the known properties possessed by the free energy of the q -state Potts model. The duality symmetry of the 2D Potts model together with the known results on its critical exponent α allows us to fix consistently the details of the proposed expression for the free energy. The agreement of the analytic ansatz with numerical data in the q=3 case is very good at high and low temperatures as well as at the critical point. It is shown that the q>4 cases naturally fit into the same scheme and that one should also expect a good agreement with numerical data. The limiting q=4 case is shortly discussed.
NASA Astrophysics Data System (ADS)
Guzman, Orlando; Velez, Jose Antonio; Castañeda, David
2008-03-01
Experimental biosensors based on liquid crystals (LC) use nematics to detect the presence of specific analytes, via the optical textures exhibited by the LC at long times. Efforts to model the time evolution of these textures have relied on relaxational models, ignoring transport phenomena. In this work we include hydrodynamics into a model for these LC biosensors, using lattice Boltzmann (LB) methods and assess the effect on the lifetime of multidomain structures, characteristic of high concentrations of analyte. We apply Yeoman's et al. LB algorithm, which reproduces the hydrodynamic equations developed by Beris and Edwards for LCs. We also take into account thermal fluctuations, by adding random perturbations to the hydrodynamic modes. Following Adhikari et al., their amplitude is determined by the Fluctuation-Dissipation theorem and we excite both hydrodynamic and the sub-hydrodynamic modes (also called ghost modes). As a result, we analyze the influence of the fluctuations and hydrodynamics on the movement of topological defects.