Science.gov

Sample records for full-qcd lattice simulations

  1. Toward lattice QCD simulation on AP1000

    NASA Astrophysics Data System (ADS)

    Ohta, Shigemi

    AP1000 is Fujitsu Laboratory's experimental parallel computer consisting of up to 1024 microcomputers called cells. It is found that each AP1000 cell can sustain two to three megaflops computational speed for full QCD lattice numerical simulations in IEEE 64-bit floating point format

  2. The {Lambda}(1405) in Full QCD

    SciTech Connect

    Menadue, Benjamin J.; Kamleh, Waseem; Leinweber, Derek B.; Mahbub, M. Selim

    2011-12-14

    At 1405.1 MeV, the lowest-lying negative-parity state of the {Lambda} baryon lies surprising low. Indeed, this is lower than the lowest negative-parity state of the nucleon, even though the {Lambda}(1405) possesses a valence strange quark. However, previous Lattice QCD studies have been unable to identify such a low-lying state. Using the PACS-CS (2+1)-flavour full-QCD ensembles, available through the ILDG, we utilise a variational analysis with source and sink smearing to isolate this elusive state. We find three low-lying odd-parity states, and for the first time reproduce the correct level ordering with respect to the nearby scattering thresholds.

  3. Full QCD in external chromomagnetic field

    NASA Astrophysics Data System (ADS)

    Cosmai, Leonardo

    2006-12-01

    We investigate the deconfining phase transition in full QCD with two flavors of staggered fermions in presence of a constant abelian chromomagnetic field. We find that the deconfinement tempera- ture decreases and eventually goes to zero by increasing the strength of the chromomagnetic field. Moreover our results suggest that the chiral transition coincides with the deconfinement transition and therefore even the chiral critical temperature depends on the applied chromomagnetic field. We also find that the chiral condensate increases with the strength of the chromomagnetic field.

  4. Full QCD calculation of neutron electric dipole moment with the external electric field method

    SciTech Connect

    Shintani, E.; Aoki, S.; Kuramashi, Y.

    2008-07-01

    We have calculated the neutron electric dipole moment (EDM) in the presence of the CP violating {theta} term in lattice QCD with two-flavor dynamical clover quarks, using the external electric field method. Accumulating a large number of statistics by the averages over 16 different source points and over forward and backward nucleon propagators, we have obtained nonzero signals of neutron and proton EDM beyond 1 standard deviation at each quark mass in full QCD. We have investigated the quark mass dependence of nucleon EDM in full QCD, and have found that nucleon EDM in full QCD does not decrease toward the chiral limit, as opposed to the theoretical expectation. We briefly discuss possible reasons for this behavior.

  5. Comparative Study of Algorithms for the Numerical Simulation of Lattice QCD

    SciTech Connect

    Luz, Fernando H. P.; Mendes, Tereza

    2010-11-12

    Large-scale numerical simulations are the prime method for a nonperturbative study of QCD from first principles. Although the lattice simulation of the pure-gauge (or quenched-QCD) case may be performed very efficiently on parallel machines, there are several additional difficulties in the simulation of the full-QCD case, i.e. when dynamical quark effects are taken into account. We discuss the main aspects of full-QCD simulations, describing the most common algorithms. We present a comparative analysis of performance for two versions of the hybrid Monte Carlo method (the so-called R and RHMC algorithms), as provided in the MILC software package. We consider two degenerate flavors of light quarks in the staggered formulation, having in mind the case of finite-temperature QCD.

  6. Lattice Simulations and Infrared Conformality

    SciTech Connect

    Appelquist, Thomas; Fleming, George T.; Lin, Meifeng; Neil, Ethan T.; Schaich, David A

    2011-09-01

    We examine several recent lattice-simulation data sets, asking whether they are consistent with infrared conformality. We observe, in particular, that for an SU(3) gauge theory with 12 Dirac fermions in the fundamental representation, recent simulation data can be described assuming infrared conformality. Lattice simulations include a fermion mass m which is then extrapolated to zero, and we note that this data can be fit by a small-m expansion, allowing a controlled extrapolation. We also note that the conformal hypothesis does not work well for two theories that are known or expected to be confining and chirally broken, and that it does work well for another theory expected to be infrared conformal.

  7. Lattice Simulations and Infrared Conformality

    DOE PAGESBeta

    Appelquist, Thomas; Fleming, George T.; Lin, Meifeng; Neil, Ethan T.; Schaich, David A

    2011-09-01

    We examine several recent lattice-simulation data sets, asking whether they are consistent with infrared conformality. We observe, in particular, that for an SU(3) gauge theory with 12 Dirac fermions in the fundamental representation, recent simulation data can be described assuming infrared conformality. Lattice simulations include a fermion mass m which is then extrapolated to zero, and we note that this data can be fit by a small-m expansion, allowing a controlled extrapolation. We also note that the conformal hypothesis does not work well for two theories that are known or expected to be confining and chirally broken, and that itmore » does work well for another theory expected to be infrared conformal.« less

  8. Observing dynamical SUSY breaking with lattice simulation

    SciTech Connect

    Kanamori, Issaku

    2008-11-23

    On the basis of the recently developed lattice formulation of supersymmetric theories which keeps a part of the supersymmetry, we propose a method of observing dynamical SUSY breaking with lattice simulation. We use Hamiltonian as an order parameter and measure the ground state energy as a zero temperature limit of the finite temperature simulation. Our method provides a way of obtaining a physical result from the lattice simulation for supersymmetric theories.

  9. Fast Lattice Monte Carlo Simulations of Polymers

    NASA Astrophysics Data System (ADS)

    Wang, Qiang; Zhang, Pengfei

    2014-03-01

    The recently proposed fast lattice Monte Carlo (FLMC) simulations (with multiple occupancy of lattice sites (MOLS) and Kronecker δ-function interactions) give much faster/better sampling of configuration space than both off-lattice molecular simulations (with pair-potential calculations) and conventional lattice Monte Carlo simulations (with self- and mutual-avoiding walk and nearest-neighbor interactions) of polymers.[1] Quantitative coarse-graining of polymeric systems can also be performed using lattice models with MOLS.[2] Here we use several model systems, including polymer melts, solutions, blends, as well as confined and/or grafted polymers, to demonstrate the great advantages of FLMC simulations in the study of equilibrium properties of polymers.

  10. Lattice kinetic simulation of nonisothermal magnetohydrodynamics.

    PubMed

    Chatterjee, Dipankar; Amiroudine, Sakir

    2010-06-01

    In this paper, a lattice kinetic algorithm is presented to simulate nonisothermal magnetohydrodynamics in the low-Mach number incompressible limit. The flow and thermal fields are described by two separate distribution functions through respective scalar kinetic equations and the magnetic field is governed by a vector distribution function through a vector kinetic equation. The distribution functions are only coupled via the macroscopic density, momentum, magnetic field, and temperature computed at the lattice points. The novelty of the work is the computation of the thermal field in conjunction with the hydromagnetic fields in the lattice Boltzmann framework. A 9-bit two-dimensional (2D) lattice scheme is used for the numerical computation of the hydrodynamic and thermal fields, whereas the magnetic field is simulated in a 5-bit 2D lattice. Simulation of Hartmann flow in a channel provides excellent agreement with corresponding analytical results. PMID:20866540

  11. A Lattice Boltzmann Method for Turbomachinery Simulations

    NASA Technical Reports Server (NTRS)

    Hsu, A. T.; Lopez, I.

    2003-01-01

    Lattice Boltzmann (LB) Method is a relatively new method for flow simulations. The start point of LB method is statistic mechanics and Boltzmann equation. The LB method tries to set up its model at molecular scale and simulate the flow at macroscopic scale. LBM has been applied to mostly incompressible flows and simple geometry.

  12. Lattice QCD simulations of the Zc+ channel

    NASA Astrophysics Data System (ADS)

    Prelovsek, Sasa; Lang, C. B.; Leskovec, Luka; Mohler, Daniel

    2016-01-01

    We discuss the lattice QCD simulations that search for the Zc+ with the unconventional quark content c ¯c d ¯u in the channel IG(JPC) = 1+(1+-). The major challenge is due to the two-meson states J /Ψ π , Ψ2 Sπ , Ψ1 Dπ , D D¯*, D *D¯*, ηcρ that are also inevitably present in this channel. The available lattice simulations find expected two-meson eigenstates, but no additional eigenstate as a candidate for Zc+ . This is in a striking contrast to the lattice results in the flavour non-exotic channels, where additional states are found in relation to most of the known resonances and bound states.

  13. Lattice-Boltzmann-based Simulations of Diffusiophoresis

    NASA Astrophysics Data System (ADS)

    Castigliego, Joshua; Kreft Pearce, Jennifer

    We present results from a lattice-Boltzmann-base Brownian Dynamics simulation on diffusiophoresis and the separation of particles within the system. A gradient in viscosity that simulates a concentration gradient in a dissolved polymer allows us to separate various types of particles by their deformability. As seen in previous experiments, simulated particles that have a higher deformability react differently to the polymer matrix than those with a lower deformability. Therefore, the particles can be separated from each other. This simulation, in particular, was intended to model an oceanic system where the particles of interest were zooplankton, phytoplankton and microplastics. The separation of plankton from the microplastics was achieved.

  14. Lattice gas simulations of replicating domains

    SciTech Connect

    Dawson, S.P.; Hasslacher, B.; Pearson, J.E.

    1993-12-31

    We use the lattice gas cellular automation (LGCA) developed to simulate a process of pattern-formation recently observed in reaction-diffusion systems. We study the reaction mechanism, which is an extension of the Selkov model for glycolytic oscillations. We are able to reproduce the self-replicating domains observed in this work. We use the LGCA simulation to estimate the smallest length-scale on which this process can occur under conditions encountered in the cell. These estimates are similar to those obtained for Turing patterns in the same setting.

  15. Monte Carlo simulations of lattice gauge theories

    SciTech Connect

    Rebbi, C

    1980-02-01

    Monte Carlo simulations done for four-dimensional lattice gauge systems are described, where the gauge group is one of the following: U(1); SU(2); Z/sub N/, i.e., the subgroup of U(1) consisting of the elements e 2..pi..in/N with integer n and N; the eight-element group of quaternions, Q; the 24- and 48-element subgroups of SU(2), denoted by T and O, which reduce to the rotation groups of the tetrahedron and the octahedron when their centers Z/sub 2/, are factored out. All of these groups can be considered subgroups of SU(2) and a common normalization was used for the action. The following types of Monte Carlo experiments are considered: simulations of a thermal cycle, where the temperature of the system is varied slightly every few Monte Carlo iterations and the internal energy is measured; mixed-phase runs, where several Monte Carlo iterations are done at a few temperatures near a phase transition starting with a lattice which is half ordered and half disordered; measurements of averages of Wilson factors for loops of different shape. 5 figures, 1 table. (RWR)

  16. Simulations of lattice animals and trees

    NASA Astrophysics Data System (ADS)

    Hsu, Hsiao-Ping; Nadler, Walter; Grassberger, Peter

    2005-01-01

    The scaling behaviour of randomly branched polymers in a good solvent is studied in two to nine dimensions, using as microscopic models lattice animals and lattice trees on simple hypercubic lattices. As a stochastic sampling method we use a biased sequential sampling algorithm with re-sampling, similar to the pruned-enriched Rosenbluth method (PERM) used extensively for linear polymers. Essentially we start simulating percolation clusters (either site or bond), re-weigh them according to the animal (tree) ensemble, and prune or branch the further growth according to a heuristic fitness function. In contrast to previous applications of PERM, this fitness function is not the weight with which the actual configuration would contribute to the partition sum, but is closely related to it. We obtain high statistics of animals with up to several thousand sites in all dimension 2 <= d <= 9. In addition to the partition sum (number of different animals) we estimate gyration radii and numbers of perimeter sites. In all dimensions we verify the Parisi-Sourlas prediction, and we verify all exactly known critical exponents in dimensions 2, 3, 4 and >=8. In addition, we present the hitherto most precise estimates for growth constants in d >= 3. For clusters with one site attached to an attractive surface, we verify for d >= 3 the superuniversality of the cross-over exponent phgr at the adsorption transition predicted by Janssen and Lyssy, but not for d = 2. There, we find phgr = 0.480(4) instead of the conjectured phgr = 1/2. Finally, we discuss the collapse of animals and trees, arguing that our present version of the algorithm is also efficient for some of the models studied in this context, but showing that it is not very efficient for the 'classical' model for collapsing animals.

  17. Lattice Boltzmann simulations of lymphatic pumping

    NASA Astrophysics Data System (ADS)

    Kunert, Christian; Padera, Tim P.; Munn, Lance L.

    2012-02-01

    Lymphatic flow plays an important role in the progress of many diseases, including lymphedema and metastasis. However lymphatic pumping and flow is poorly understood. Here, we present a computer model that is based on biological observations of lymphatic pumping. Fluid flow is simulated by a D2Q9 lattice Boltzmann model. The boundary of the vessels moves according to shear-induced nitric oxide production, and wall motion transfers momentum to the fluid to induce flow. Because the model only includes local properties, it can be highly parallelized. In our case we utilize graphic processors (GPU) to achieve high performance computation. We show that the model provides stable pumping over a wide range of parameter values, with optimum flow achieved in the biological ranges. Furthermore, we investigate the efficiency by analyzing the flow rate and pumping frequency in order to compare the behavior of the model with existing in vivo data.

  18. Lattice-Boltzmann Simulation of Tablet Disintegration

    NASA Astrophysics Data System (ADS)

    Jiang, Jiaolong; Sun, Ning; Gersappe, Dilip

    Using the lattice-Boltzmann method, we developed a 2D model to study the tablet disintegration involving the swelling and wicking mechanisms. The surface area and disintegration profile of each component were obtained by tracking the tablet structure in the simulation. Compared to pure wicking, the total surface area is larger for swelling and wicking, which indicates that the swelling force breaks the neighboring bonds. The disintegration profiles show that the tablet disintegrates faster than pure wicking, and there are more wetted active pharmaceutical ingredient particles distributed on smaller clusters. Our results indicate how the porosity would affect the disintegration process by changing the wetting area of the tablet as well as by changing the swelling force propagation.

  19. Lattice Monte Carlo simulations of polymer melts

    NASA Astrophysics Data System (ADS)

    Hsu, Hsiao-Ping

    2014-12-01

    We use Monte Carlo simulations to study polymer melts consisting of fully flexible and moderately stiff chains in the bond fluctuation model at a volume fraction 0.5. In order to reduce the local density fluctuations, we test a pre-packing process for the preparation of the initial configurations of the polymer melts, before the excluded volume interaction is switched on completely. This process leads to a significantly faster decrease of the number of overlapping monomers on the lattice. This is useful for simulating very large systems, where the statistical properties of the model with a marginally incomplete elimination of excluded volume violations are the same as those of the model with strictly excluded volume. We find that the internal mean square end-to-end distance for moderately stiff chains in a melt can be very well described by a freely rotating chain model with a precise estimate of the bond-bond orientational correlation between two successive bond vectors in equilibrium. The plot of the probability distributions of the reduced end-to-end distance of chains of different stiffness also shows that the data collapse is excellent and described very well by the Gaussian distribution for ideal chains. However, while our results confirm the systematic deviations between Gaussian statistics for the chain structure factor Sc(q) [minimum in the Kratky-plot] found by Wittmer et al. [EPL 77, 56003 (2007)] for fully flexible chains in a melt, we show that for the available chain length these deviations are no longer visible, when the chain stiffness is included. The mean square bond length and the compressibility estimated from collective structure factors depend slightly on the stiffness of the chains.

  20. 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).

  1. Representation and simulation for pyrochlore lattice via Monte Carlo technique

    NASA Astrophysics Data System (ADS)

    Passos, André Luis; de Albuquerque, Douglas F.; Filho, João Batista Santos

    2016-05-01

    This work presents a representation of the Kagome and pyrochlore lattices using Monte Carlo simulation as well as some results of the critical properties. These lattices are composed corner sharing triangles and tetrahedrons respectively. The simulation was performed employing the Cluster Wolf Algorithm for the spin updates through the standard ferromagnetic Ising Model. The determination of the critical temperature and exponents was based on the Histogram Technique and the Finite-Size Scaling Theory.

  2. Ultracold quantum gases and lattice systems: quantum simulation of lattice gauge theories

    NASA Astrophysics Data System (ADS)

    Wiese, U.-J.

    2013-11-01

    Abelian and non-Abelian gauge theories are of central importance in many areas of physics. In condensed matter physics, Abelian U(1) lattice gauge theories arise in the description of certain quantum spin liquids. In quantum information theory, Kitaev's toric code is a Z(2) lattice gauge theory. In particle physics, Quantum Chromodynamics (QCD), the non-Abelian SU(3) gauge theory of the strong interactions between quarks and gluons, is non-perturbatively regularized on a lattice. Quantum link models extend the concept of lattice gauge theories beyond the Wilson formulation, and are well suited for both digital and analog quantum simulation using ultracold atomic gases in optical lattices. Since quantum simulators do not suffer from the notorious sign problem, they open the door to studies of the real-time evolution of strongly coupled quantum systems, which are impossible with classical simulation methods. A plethora of interesting lattice gauge theories suggests itself for quantum simulation, which should allow us to address very challenging problems, ranging from confinement and deconfinement, or chiral symmetry breaking and its restoration at finite baryon density, to color superconductivity and the real-time evolution of heavy-ion collisions, first in simpler model gauge theories and ultimately in QCD.

  3. On Vectorization for Lattice Based Simulations

    NASA Astrophysics Data System (ADS)

    Shet, Aniruddha G.; Siddharth, K.; Sorathiya, Shahajhan H.; Deshpande, Anand M.; Sherlekar, Sunil D.; Kaul, Bharat; Ansumali, Santosh

    2013-12-01

    We present a vector-friendly blocked computing strategy for the lattice Boltzmann method (LBM). This strategy, along with a recently developed data structure, Structure of Arrays of Structures (SoAoS), is implemented for multi-relaxation type lattice Boltzmann (LB). The proposed methodology enables optimal memory bandwidth utilization in the advection step and high compute efficiency in the collision step of LB implementation. In a dense computing environment, current performance optimization framework for LBM is able to achieve high single-core efficiency.

  4. 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.

  5. Lattice gas hydrodynamics: Theory and simulations

    SciTech Connect

    Hasslacher, B.

    1993-01-01

    The first successful application of a microscopic analogy to create a skeleton cellular automaton and analyze it with statistical mechanical tools, was the work of Frisch, Hasslacher and Pomeau on the Navier-Stokes equation in two and three dimensions. This has become a very large research area with lattice gas models and methods being used for both fundamental investigations into the foundations of statistical mechanics and a large number of diverse applications. This present research was devoted to enlarging the fundamental scope of lattice gas models and proved quite successful. Since the beginning of this proposal, cellular automata have been constructed for statistical mechanical models, fluids, diffusion and shock systems in fundamental investigations. In applied areas, there are now excellent lattice gas models for complex flows through porous media, chemical reaction and combustion dynamics, multiphase flow systems, and fluid mixtures with natural boundaries. With extended cellular fluid models, one can do problems with arbitrary pairwise potentials. Recently, these have been applied to such problems as non-newtonian or polymeric liquids and a mixture of immiscible fluids passing through fractal or spongelike media in two and three dimensions. This proposal has contributed to and enlarged the scope of this work.

  6. Lattice gas hydrodynamics: Theory and simulations

    SciTech Connect

    Hasslacher, B.

    1993-01-01

    The first successful application of a microscopic analogy to create a skeleton cellular automaton and analyze it with statistical mechanical tools, was the work of Frisch, Hasslacher and Pomeau on the Navier-Stokes equation in two and three dimensions. This has become a very large research area with lattice gas models and methods being used for both fundamental investigations into the foundations of statistical mechanics and a large number of diverse applications. This present research was devoted to enlarging the fundamental scope of lattice gas models and proved successful. Since the beginning of this proposal, cellular automata have been constructed for statistical mechanical models, fluids, diffusion and shock systems in fundamental investigations. In applied areas, there are now excellent lattice gas models for complex flows through porous media, chemical reaction and combustion dynamics, multiphase flow systems, and fluid mixtures with natural boundaries. With extended cellular fluid models, one can do problems with arbitrary pairwise potentials. Recently, these have been applied to such problems as non-newtonian or polymeric liquids and a mixture of immiscible fluids passing through fractal or spongelike media in two and three dimensions. This proposal has contributed to and enlarged the scope of this work.

  7. Charmed spectroscopy from a nonperturbatively determined relativistic heavy quark action in full QCD

    SciTech Connect

    Huey-Wen Lin

    2006-07-28

    We present a preliminary calculation of the charmed meson spectrum using the 2+1 flavor domain wall fermion lattice configurations currently being generated by the RBC and UKQCD collaborations. The calculation is performed using the 3-parameter, relativistic heavy quark action with nonperturbatively determined coefficients. We will also demonstrate a step-scaling procedure for determining these coefficients nonperturbatively using a series of quenched, gauge field ensembles generated for three different lattice spacings.

  8. 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.

  9. 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.

  10. Simulating infinite vortex lattices in superfluids

    NASA Astrophysics Data System (ADS)

    Mingarelli, Luca; Keaveny, Eric E.; Barnett, Ryan

    2016-07-01

    We present an efficient framework to numerically treat infinite periodic vortex lattices in rotating superfluids described by the Gross–Pitaevskii theory. The commonly used split-step Fourier (SSF) spectral methods are inapplicable to such systems as the standard Fourier transform does not respect the boundary conditions mandated by the magnetic translation group. We present a generalisation of the SSF method which incorporates the correct boundary conditions by employing the so-called magnetic Fourier transform. We test the method and show that it reduces to known results in the lowest-Landau-level regime. While we focus on rotating scalar superfluids for simplicity, the framework can be naturally extended to treat multicomponent systems and systems under more general ‘synthetic’ gauge fields.

  11. Simulating infinite vortex lattices in superfluids.

    PubMed

    Mingarelli, Luca; Keaveny, Eric E; Barnett, Ryan

    2016-07-20

    We present an efficient framework to numerically treat infinite periodic vortex lattices in rotating superfluids described by the Gross-Pitaevskii theory. The commonly used split-step Fourier (SSF) spectral methods are inapplicable to such systems as the standard Fourier transform does not respect the boundary conditions mandated by the magnetic translation group. We present a generalisation of the SSF method which incorporates the correct boundary conditions by employing the so-called magnetic Fourier transform. We test the method and show that it reduces to known results in the lowest-Landau-level regime. While we focus on rotating scalar superfluids for simplicity, the framework can be naturally extended to treat multicomponent systems and systems under more general 'synthetic' gauge fields. PMID:27219843

  12. Quest for More Information from Lattice QCD Simulations

    NASA Astrophysics Data System (ADS)

    de Forcrand, P.; García Pérez, M.; Hashimoto, T.; Hioki, S.; Matsufuru, H.; Miyamura, O.; Umeda, T.; Nakamura, A.; Stamatescu, I.-O.; Tago, Y.; Takaishi, T.

    Lattice QCD is one of the most powerful tools to study the non-perturbative nature of the strong interaction. Although much information has been obtained so far to understand QCD, the computational cost becomes higher and higher as we calculate on finer lattices; simulations near the continuum are still far beyond. We report the progress on (1) renormalization group (RG) improved actions and (2) anisotropic lattice, which QCD-TARO group has developed and studied in order to get more information from the simulations on the present computers. RG improved actions were proposed and studied by Wilson and Iwasaki to remove discretization effects for long distance observables. We have studied 1× 1 + 1× 2 type actions, which includes Wilson, Symanzik and Iwasaki ones, by the strong and weak coupling expansions and Monte Carlo RG method. We have calculated RG flow and obtained a new effective β-function. Anisotropic lattice, where the temporal lattice spacing is smaller than that along the spatial one, makes us possible to perform finer resolution measurements in the temporal direction. This is especially useful at the finite temperature, where the temporal lattice size is limited. We have calculated meson pole and screening masses. We have found they behave in a different manner as a function of T.

  13. Lattice Boltzmann Simulations of Peristaltic Particle Transport

    NASA Astrophysics Data System (ADS)

    Connington, Kevin; Kang, Qinjun; Viswanathan, Hari; Chen, Shiyi; Abdel-Fattah, Amr

    2008-11-01

    A peristaltic flow occurs when a tube or channel with flexible walls transports the contained fluid by progressing a series of contraction or expansion waves along the length of those walls. It is a mechanism used to transport fluid and immersed solid particles when it is ineffective or impossible to impose a favorable pressure gradient or desirous to avoid contact between the transported mixture and mechanical moving parts. Peristaltic transport occurs in many physiological situations and has myriad industrial applications. We focus our study on the peristaltic transport of a macroscopic particle in a two dimensional channel using the Lattice Boltzmann Method (LBM). We systematically investigate the effect of variation of the relevant non-dimensional parameters of the system on the particle transport. We examine the particle behavior when the system exhibits the peculiar phenomenon of fluid ``trapping.'' Finally, we analyze how the particle presence affects stress, pressure, and dissipation in the fluid in hopes of determining preferred working conditions for peristaltic transport of shear-sensitive particles.

  14. A study of the N to Delta transition form factors in full QCD

    SciTech Connect

    Constantia Alexandrou; Robert Edwards; Giannis Koutsou; Theodoros Leontiou; Hartmut Neff; John W. Negele; Wolfram Schroers; Antonios Tsapalis

    2005-07-01

    The N to Delta transition form factors GM1, GE2 and GC2 are evaluated using dynamical MILC configurations and valence domain wall fermions at three values of quark mass corresponding to pion mass 606 MeV, 502 MeV and 364 MeV on lattices of spatial size 20{sup 3} and 28{sup 3}. The unquenched results are compared to those obtained at similar pion mass in the quenched theory.

  15. Lattice-gas approach to semiconductor device simulation

    NASA Astrophysics Data System (ADS)

    Ancona, M. G.

    1990-12-01

    A new approach to semiconductor device simulation is presented which is based on a lattice-gas or cellular-automata model and is quite similar to methods recently explored in fluid dynamics. The approach obtains a stochastic solution to the diffusion-drift partial differential equations describing electron transport in semiconductors. The lattice-gas method appears to be fairly well-suited to electron transport simulation with its ability to handle complex geometry, its ease of programming and its stability being some key advantages. In addition, we show that the structure of the model itself—its Boolean character—leads to a partial inclusion of electron degeneracy effects. Finally, we make a preliminary assessment of the performance of the diffusion-drift lattice-gas model, finding it to be competitive with conventional approaches when its inherent parallelism is fully exploited.

  16. Microwave cavity lattices for quantum simulation with photons

    NASA Astrophysics Data System (ADS)

    Underwood, Devin Lane

    Historically our understanding of the microscopic world has been impeded by limitations in systems that behave classically. Even today, understanding simple problems in quantum mechanics remains a difficult task both computationally and experimentally. As a means of overcoming these classical limitations, the idea of using a controllable quantum system to simulate a less controllable quantum system has been proposed. This concept is known as quantum simulation and is the origin of the ideas behind quantum computing. In this thesis, experiments have been conducted that address the feasibility of using devices with a circuit quantum electrodynamics (cQED) architecture as a quantum simulator. In a cQED device, a superconducting qubit is capacitively coupled to a superconducting resonator resulting in coherent quantum behavior of the qubit when it interacts with photons inside the resonator. It has been shown theoretically that by forming a lattice of cQED elements, different quantum phases of photons will exist for dierent system parameters. In order to realize such a quantum simulator, the necessary experimental foundation must rst be developed. Here experimental eorts were focused on addressing two primary issues: 1) designing and fabricating low disorder lattices that are readily available to incorporate superconducting qubits, and 2) developing new measurement tools and techniques that can be used to characterize large lattices, and probe the predicted quantum phases within the lattice. Three experiments addressing these issues were performed. In the rst experiment a Kagome lattice of transmission line resonators was designed and fabricated, and a comprehensive study on the effects of random disorder in the lattice demonstrated that disorder was dependent on the resonator geometry. Subsequently a cryogenic 3-axis scanning stage was developed and the operation of the scanning stage was demonstrated in the final two experiments. The rst scanning experiment was

  17. Lattice Monte Carlo simulation of Galilei variant anomalous diffusion

    SciTech Connect

    Guo, Gang; Bittig, Arne; Uhrmacher, Adelinde

    2015-05-01

    The observation of an increasing number of anomalous diffusion phenomena motivates the study to reveal the actual reason for such stochastic processes. When it is difficult to get analytical solutions or necessary to track the trajectory of particles, lattice Monte Carlo (LMC) simulation has been shown to be particularly useful. To develop such an LMC simulation algorithm for the Galilei variant anomalous diffusion, we derive explicit solutions for the conditional and unconditional first passage time (FPT) distributions with double absorbing barriers. According to the theory of random walks on lattices and the FPT distributions, we propose an LMC simulation algorithm and prove that such LMC simulation can reproduce both the mean and the mean square displacement exactly in the long-time limit. However, the error introduced in the second moment of the displacement diverges according to a power law as the simulation time progresses. We give an explicit criterion for choosing a small enough lattice step to limit the error within the specified tolerance. We further validate the LMC simulation algorithm and confirm the theoretical error analysis through numerical simulations. The numerical results agree with our theoretical predictions very well.

  18. Lattice-Boltzmann simulation of coalescence-driven island coarsening

    USGS Publications Warehouse

    Basagaoglu, H.; Green, C.T.; Meakin, P.; McCoy, B.J.

    2004-01-01

    The first-order phase separation in a thin fluid film was simulated using a two-dimensional lattice-Boltzman model (LBM) with fluid-fluid interactions. The effects of the domain size on the intermediate asymptotic island size distribution were also discussed. It was observed that the overall process is dominated by coalescence which is independent of island mass. The results show that the combined effects of growth, coalescence, and Ostwald ripening control the phase transition process in the LBM simulations.

  19. Quantum simulations of lattice gauge theories using ultracold atoms in optical lattices.

    PubMed

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

    2016-01-01

    Can high-energy physics be simulated by low-energy, non-relativistic, many-body systems such as ultracold atoms? Such ultracold atomic systems lack the type of symmetries and dynamical properties of high energy physics models: in particular, they manifest neither local gauge invariance nor Lorentz invariance, which are crucial properties of the quantum field theories which are the building blocks of the standard model of elementary particles. However, it turns out, surprisingly, that there are ways to configure an atomic system to manifest both local gauge invariance and Lorentz invariance. In particular, local gauge invariance can arise either as an effective low-energy symmetry, or as an exact symmetry, following from the conservation laws in atomic interactions. Hence, one could hope that such quantum simulators may lead to a new type of (table-top) experiments which will be used to study various QCD (quantum chromodynamics) phenomena, such as the confinement of dynamical quarks, phase transitions and other effects, which are inaccessible using the currently known computational methods. In this report, we review the Hamiltonian formulation of lattice gauge theories, and then describe our recent progress in constructing the quantum simulation of Abelian and non-Abelian lattice gauge theories in 1  +  1 and 2  +  1 dimensions using ultracold atoms in optical lattices. PMID:26684222

  20. Two-dimensional lattice polymers: Adaptive windows simulations

    NASA Astrophysics Data System (ADS)

    Cunha-Netto, A. G.; Dickman, Ronald; Caparica, A. A.

    2009-04-01

    We report a numerical study of self-avoiding polymers on the square lattice, including an attractive potential between nonconsecutive monomers occupying neighboring lattice sites. Using Wang-Landau sampling (WLS) with adaptive windows, we obtain the density of states for chains of up to N=300 monomers and associated thermodynamic quantities. Finite size scaling analysis yields a transition temperature of Θ=1.505(18). WLS with adaptive windows enables one to simulate accurately the low-temperature regime, which is virtually inaccessible using traditional methods. Instead of defining fixed energy windows, as in usual WLS, this method uses windows with boundaries that depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows.

  1. fK /f{pi} in Full QCD with Domain Wall Valence Quarks

    SciTech Connect

    Silas Beane; Paulo Bedaque; Konstantinos Orginos; Martin Savage

    2007-05-01

    We compute the ratio of pseudoscalar decay constants f{sub K}/f{sub {pi}} using domain-wall valence quarks and rooted improved Kogut-Susskind sea quarks. By employing continuum chiral perturbation theory, we extract the Gasser-Leutwyler low-energy constant L{sub 5}, and extrapolate f{sub K}/f{sub {pi}} to the physical point. We find: f{sub K}/f{sub {pi}} = 1.218 {+-} 0.002{sub -0.024}{sup +0.011} where the first error is statistical and the second error is an estimate of the systematic due to chiral extrapolation and fitting procedures. This value agrees within the uncertainties with the determination by the MILC collaboration, calculated using Kogut-Susskind valence quarks, indicating that systematic errors arising from the choice of lattice valence quark are small.

  2. Simulation of quantum chromodynamics on the lattice with exactly chiral lattice fermions

    NASA Astrophysics Data System (ADS)

    Aoki, Sinya; Chiu, Ting-Wai; Cossu, Guido; Feng, Xu; Fukaya, Hidenori; Hashimoto, Shoji; Hsieh, Tung-Han; Kaneko, Takashi; Matsufuru, Hideo; Noaki, Jun-Ichi; Onogi, Tetsuya; Shintani, Eigo; Takeda, Kouhei

    2012-09-01

    Numerical simulation of the low-energy dynamics of quarks and gluons is now feasible based on the fundamental theory of strong interaction, i.e. quantum chromodynamics (QCD). With QCD formulated on a 4D hypercubic lattice (called lattice QCD or LQCD), one can simulate the QCD vacuum and hadronic excitations on the vacuum using teraflop-scale supercomputers, which have become available in the last decade. A great deal of work has been done on this subject by many groups around the world; in this article we summarize the work done by the JLQCD and TWQCD collaborations since 2006. These collaborations employ Neuberger's overlap fermion formulation, which preserves the exact chiral and flavor symmetries on the lattice, unlike other lattice fermion formulations. Because of this beautiful property, numerical simulation of the formulation can address fundamental questions on the QCD vacuum, such as the microscopic structure of the quark-antiquark condensate in the chirally broken phase of QCD and its relation to SU(3) gauge field topology. Tests of the chiral effective theory, which is based on the assumption that the chiral symmetry is spontaneously broken in the QCD vacuum, can be performed, including the pion-loop effect test. For many other phenomenological applications, we adopt the all-to-all quark propagator technique, which allows us to compute various correlation functions without substantial extra cost. The benefit of this is not only that the statistical signal is improved but that disconnected quark-loop diagrams can be calculated. Using this method combined with the overlap fermion formulation, we study a wide range of physical quantities that are of both theoretical and phenomenological interest.

  3. Kinetic Monte Carlo Simulations of Void Lattice Formation During Irradiation

    SciTech Connect

    Heinisch, Howard L.; Singh, Bachu N.

    2003-12-01

    Within the last decade molecular dynamics simulations of displacement cascades have revealed that glissile clusters of self-interstitial crowdions are formed directly in cascades and that they migrate one-dimensionally along close-packed directions with extremely low activation energies. Occasionally, under various conditions, a crowdion cluster can change its Burgers vector and glide along a different close-packed direction. The recently developed Production Bias Model (PBM) of microstructure evolution under irradiation has been structured to specifically take into account the unique properties of the vacancy and interstitial clusters produced in the cascades. Atomic-scale kinetic Monte Carlo (KMC) simulations have played a useful role in understanding the defect reaction kinetics of one-dimensionally migrating crowdion clusters as a function of the frequency of direction changes. This has made it possible to incorporate the migration properties of crowdion clusters and changes in reaction kinetics into the PBM. In the present paper we utilize similar KMC simulations to investigate the significant role crowdion clusters can play in the formation and stability of void lattices. The creation of stable void lattices, starting from a random distribution of voids, is simulated by a KMC model in which vacancies migrate three-dimensionally and SIA clusters migrate one-dimensionally, interrupted by directional changes. The necessity of both one-dimensional migration and Burgers vectors changes of SIA clusters for the production of stable void lattices is demonstrated, and the effects of the frequency of Burgers vector changes are described.

  4. Accuracy of non-Newtonian Lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Conrad, Daniel; Schneider, Andreas; Böhle, Martin

    2015-11-01

    This work deals with the accuracy of non-Newtonian Lattice Boltzmann simulations. Previous work for Newtonian fluids indicate that, depending on the numerical value of the dimensionless collision frequency Ω, additional artificial viscosity is introduced, which negatively influences the accuracy. Since the non-Newtonian fluid behavior is incorporated through appropriate modeling of the dimensionless collision frequency, a Ω dependent error EΩ is introduced and its influence on the overall error is investigated. Here, simulations with the SRT and the MRT model are carried out for power-law fluids in order to numerically investigate the accuracy of non-Newtonian Lattice Boltzmann simulations. A goal of this accuracy analysis is to derive a recommendation for an optimal choice of the time step size and the simulation Mach number, respectively. For the non-Newtonian case, an error estimate for EΩ in the form of a functional is derived on the basis of a series expansion of the Lattice Boltzmann equation. This functional can be solved analytically for the case of the Hagen-Poiseuille channel flow of non-Newtonian fluids. With the help of the error functional, the prediction of the global error minimum of the velocity field is excellent in regions where the EΩ error is the dominant source of error. With an optimal simulation Mach number, the simulation is about one order of magnitude more accurate. Additionally, for both collision models a detailed study of the convergence behavior of the method in the non-Newtonian case is conducted. The results show that the simulation Mach number has a major impact on the convergence rate and second order accuracy is not preserved for every choice of the simulation Mach number.

  5. Large-scale lattice-Boltzmann simulations over lambda networks

    NASA Astrophysics Data System (ADS)

    Saksena, R.; Coveney, P. V.; Pinning, R.; Booth, S.

    Amphiphilic molecules are of immense industrial importance, mainly due to their tendency to align at interfaces in a solution of immiscible species, e.g., oil and water, thereby reducing surface tension. Depending on the concentration of amphiphiles in the solution, they may assemble into a variety of morphologies, such as lamellae, micelles, sponge and cubic bicontinuous structures exhibiting non-trivial rheological properties. The main objective of this work is to study the rheological properties of very large, defect-containing gyroidal systems (of up to 10243 lattice sites) using the lattice-Boltzmann method. Memory requirements for the simulation of such large lattices exceed that available to us on most supercomputers and so we use MPICH-G2/MPIg to investigate geographically distributed domain decomposition simulations across HPCx in the UK and TeraGrid in the US. Use of MPICH-G2/MPIg requires the port-forwarder to work with the grid middleware on HPCx. Data from the simulations is streamed to a high performance visualisation resource at UCL (London) for rendering and visualisation. Lighting the Blue Touchpaper for UK e-Science - Closing Conference of ESLEA Project March 26-28 2007 The George Hotel, Edinburgh, UK

  6. Monte Carlo simulations of lattice models for single polymer systems

    SciTech Connect

    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.

  7. Lattice gas simulations of dynamical geometry in two dimensions

    NASA Astrophysics Data System (ADS)

    Klales, Anna; Cianci, Donato; Needell, Zachary; Meyer, David A.; Love, Peter J.

    2010-10-01

    We present a hydrodynamic lattice gas model for two-dimensional flows on curved surfaces with dynamical geometry. This model is an extension to two dimensions of the dynamical geometry lattice gas model previously studied in one dimension. We expand upon a variation of the two-dimensional flat space Frisch-Hasslacher-Pomeau (FHP) model created by Frisch [Phys. Rev. Lett.PRLTAO0031-9007 56, 1505 (1986)]10.1103/PhysRevLett.56.1505 and independently by Wolfram, and modified by Boghosian [Philos. Trans. R. Soc. London, Ser. A 360, 333 (2002)]10.1098/rsta.2001.0933. We define a hydrodynamic lattice gas model on an arbitrary triangulation whose flat space limit is the FHP model. Rules that change the geometry are constructed using the Pachner moves, which alter the triangulation but not the topology. We present results on the growth of the number of triangles as a function of time. Simulations show that the number of triangles grows with time as t1/3 , in agreement with a mean-field prediction. We also present preliminary results on the distribution of curvature for a typical triangulation in these simulations.

  8. Lattice gas simulations of dynamical geometry in two dimensions.

    PubMed

    Klales, Anna; Cianci, Donato; Needell, Zachary; Meyer, David A; Love, Peter J

    2010-10-01

    We present a hydrodynamic lattice gas model for two-dimensional flows on curved surfaces with dynamical geometry. This model is an extension to two dimensions of the dynamical geometry lattice gas model previously studied in one dimension. We expand upon a variation of the two-dimensional flat space Frisch-Hasslacher-Pomeau (FHP) model created by Frisch [Phys. Rev. Lett. 56, 1505 (1986)] and independently by Wolfram, and modified by Boghosian [Philos. Trans. R. Soc. London, Ser. A 360, 333 (2002)]. We define a hydrodynamic lattice gas model on an arbitrary triangulation whose flat space limit is the FHP model. Rules that change the geometry are constructed using the Pachner moves, which alter the triangulation but not the topology. We present results on the growth of the number of triangles as a function of time. Simulations show that the number of triangles grows with time as t(1/3), in agreement with a mean-field prediction. We also present preliminary results on the distribution of curvature for a typical triangulation in these simulations. PMID:21230410

  9. Charmed tetraquarks Tcc and Tcs from dynamical lattice QCD simulations

    NASA Astrophysics Data System (ADS)

    Ikeda, Yoichi; Charron, Bruno; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

    2014-02-01

    Charmed tetraquarks Tcc=(ccubardbar) and Tcs=(csubardbar) are studied through the S-wave meson-meson interactions, D-D, Kbar-D, D-D* and Kbar-D*, on the basis of the (2+1)-flavor lattice QCD simulations with the pion mass mπ≃410, 570 and 700 MeV. For the charm quark, the relativistic heavy quark action is employed to treat its dynamics on the lattice. Using the HAL QCD method, we extract the S-wave potentials in lattice QCD simulations, from which the meson-meson scattering phase shifts are calculated. The phase shifts in the isospin triplet (I=1) channels indicate repulsive interactions, while those in the I=0 channels suggest attraction, growing as mπ decreases. This is particularly prominent in the Tcc (JP=1+,I=0) channel, though neither bound state nor resonance are found in the range mπ=410-700 MeV. We make a qualitative comparison of our results with the phenomenological diquark picture.

  10. 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.

  11. Monte Carlo simulations of lattice models for single polymer systems.

    PubMed

    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

  12. Modified lattice Boltzmann method for compressible fluid simulations.

    PubMed

    Hinton, F L; Rosenbluth, M N; Wong, S K; Lin-Liu, Y R; Miller, R L

    2001-06-01

    A modified lattice Boltzmann algorithm is shown to have much better stability to growing temperature perturbations, when compared with the standard lattice Boltzmann algorithm. The damping rates of long-wavelength waves, which determine stability, are derived using a collisional equilibrium distribution function which has the property that the Euler equations are obtained exactly in the limit of zero time step. Using this equilibrium distribution function, we show that our algorithm has inherent positive hyperviscosity and hyperdiffusivity, for very small values of viscosity and thermal diffusivity, which are lacking in the standard algorithm. Short-wavelength modes are shown to be stable for temperatures greater than a lower limit. Results from a computer code are used to compare these algorithms, and to confirm the damping rate predictions made analytically. Finite amplitude sound waves in the simulated fluid steepen, as expected from gas dynamic theory. PMID:11415085

  13. Lattice Boltzmann simulation of chemical dissolution in porous media.

    PubMed

    Kang, Qinjun; Zhang, Dongxiao; Chen, Shiyi; He, Xiaoyi

    2002-03-01

    In this paper, we develop a lattice Boltzmann model for simulating the transport and reaction of fluids in porous media. To simulate such a system, we account for the interaction of forced convection, molecular diffusion, and surface reaction. The problem is complicated by the evolution of the porous media geometry due to chemical reactions, which may significantly and continuously modify the hydrologic properties of the media. The particular application that motivates the present study is acid stimulation, a common technique used to increase production from petroleum reservoirs. This technique involves the injection of acid (e.g., hydrochloric acid, HCl, acetic acid, HAc) into the formation to dissolve minerals comprising the rock. As acid is injected, highly conductive channels or "wormholes" may be formed. The dissolution of carbonate rocks in 0.5M HCl and 0.5M HAc is simulated with the lattice Boltzmann model developed in this study. The dependence of dissolution process and the geometry of the final wormhole pattern on the acid type and the injection rate is studied. The results agree qualitatively with the experimental and theoretical analyses of others and substantiate the previous finding that there exists an optimal injection rate at which the wormhole is formed as well as the number of pore volumes of the injected fluid to break through is minimized. This study also confirms the experimentally observed phenomenon that the optimal injection rate decreases and the corresponding minimized number of pore volumes to break through increases as the acid is changed from HCl to HAc. Simulations suggest that the proposed lattice Boltzmann model may serve as an alternative reliable quantitative approach to study chemical dissolution in porous media. PMID:11909255

  14. Molecular dynamics simulation of triclinic lysozyme in a crystal lattice.

    PubMed

    Janowski, Pawel A; Liu, Chunmei; Deckman, Jason; Case, David A

    2016-01-01

    Molecular dynamics simulations of crystals can enlighten interpretation of experimental X-ray crystallography data and elucidate structural dynamics and heterogeneity in biomolecular crystals. Furthermore, because of the direct comparison against experimental data, they can inform assessment of molecular dynamics methods and force fields. We present microsecond scale results for triclinic hen egg-white lysozyme in a supercell consisting of 12 independent unit cells using four contemporary force fields (Amber ff99SB, ff14ipq, ff14SB, and CHARMM 36) in crystalline and solvated states (for ff14SB only). We find the crystal simulations consistent across multiple runs of the same force field and robust to various solvent equilibration schemes. However, convergence is slow compared with solvent simulations. All the tested force fields reproduce experimental structural and dynamic properties well, but Amber ff14SB maintains structure and reproduces fluctuations closest to the experimental model: its average backbone structure differs from the deposited structure by 0.37Å; by contrast, the average backbone structure in solution differs from the deposited by 0.65Å. All the simulations are affected by a small progressive deterioration of the crystal lattice, presumably due to imperfect modeling of hydrogen bonding and other crystal contact interactions; this artifact is smallest in ff14SB, with average lattice positions deviating by 0.20Å from ideal. Side-chain disorder is surprisingly low with fewer than 30% of the nonglycine or alanine residues exhibiting significantly populated alternate rotamers. Our results provide helpful insight into the methodology of biomolecular crystal simulations and indicate directions for future work to obtain more accurate energy models for molecular dynamics. PMID:26013419

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

    PubMed

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

    2013-07-01

    Lattice Boltzmann Modeling (LBM) simulations were performed on the dynamic behavior of liquid droplets on chemically striped patterned surfaces, ultimately with the aim to develop a predictive tool enabling reliable design of future experiments. The simulations accurately mimic experimental results, which have shown that water droplets on such surfaces adopt an elongated shape due to anisotropic preferential spreading. Details of the contact line motion such as advancing of the contact line in the direction perpendicular to the stripes exhibit pronounced similarities in experiments and simulations. The opposite of spreading, i.e., evaporation of water droplets, leads to a characteristic receding motion first in the direction parallel to the stripes, while the contact line remains pinned perpendicular to the stripes. Only when the aspect ratio is close to unity, the contact line also starts to recede in the perpendicular direction. Very similar behavior was observed in the LBM simulations. Finally, droplet movement can be induced by a gradient in surface wettability. LBM simulations show good semiquantitative agreement with experimental results of decanol droplets on a well-defined striped gradient, which move from high- to low-contact angle surfaces. Similarities and differences for all systems are described and discussed in terms of the predictive capabilities of LBM simulations to model direction wetting. PMID:23944550

  16. Simulation of non-Abelian gauge theories with optical lattices.

    PubMed

    Tagliacozzo, L; Celi, A; Orland, P; Mitchell, M W; Lewenstein, M

    2013-01-01

    Many phenomena occurring in strongly correlated quantum systems still await conclusive explanations. The absence of isolated free quarks in nature is an example. It is attributed to quark confinement, whose origin is not yet understood. The phase diagram for nuclear matter at general temperatures and densities, studied in heavy-ion collisions, is not settled. Finally, we have no definitive theory of high-temperature superconductivity. Though we have theories that could underlie such physics, we lack the tools to determine the experimental consequences of these theories. Quantum simulators may provide such tools. Here we show how to engineer quantum simulators of non-Abelian lattice gauge theories. The systems we consider have several applications: they can be used to mimic quark confinement or to study dimer and valence-bond states (which may be relevant for high-temperature superconductors). PMID:24162080

  17. Simulation of non-Abelian gauge theories with optical lattices

    NASA Astrophysics Data System (ADS)

    Tagliacozzo, L.; Celi, A.; Orland, P.; Mitchell, M. W.; Lewenstein, M.

    2013-10-01

    Many phenomena occurring in strongly correlated quantum systems still await conclusive explanations. The absence of isolated free quarks in nature is an example. It is attributed to quark confinement, whose origin is not yet understood. The phase diagram for nuclear matter at general temperatures and densities, studied in heavy-ion collisions, is not settled. Finally, we have no definitive theory of high-temperature superconductivity. Though we have theories that could underlie such physics, we lack the tools to determine the experimental consequences of these theories. Quantum simulators may provide such tools. Here we show how to engineer quantum simulators of non-Abelian lattice gauge theories. The systems we consider have several applications: they can be used to mimic quark confinement or to study dimer and valence-bond states (which may be relevant for high-temperature superconductors).

  18. Monte Carlo simulations of kagome lattices with magnetic dipolar interactions

    NASA Astrophysics Data System (ADS)

    Plumer, Martin; Holden, Mark; Way, Andrew; Saika-Voivod, Ivan; Southern, Byron

    Monte Carlo simulations of classical spins on the two-dimensional kagome lattice with only dipolar interactions are presented. In addition to revealing the sixfold-degenerate ground state, the nature of the finite-temperature phase transition to long-range magnetic order is discussed. Low-temperature states consisting of mixtures of degenerate ground-state configurations separated by domain walls can be explained as a result of competing exchange-like and shape-anisotropy-like terms in the dipolar coupling. Fluctuations between pairs of degenerate spin configurations are found to persist well into the ordered state as the temperature is lowered until locking in to a low-energy state. Results suggest that the system undergoes a continuous phase transition at T ~ 0 . 43 in agreement with previous MC simulations but the nature of the ordering process differs. Preliminary results which extend this analysis to the 3D fcc ABC-stacked kagome systems will be presented.

  19. Lattice Boltzmann Method for Spacecraft Propellant Slosh Simulation

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.; Powers, Joseph F.; Yang, Hong Q.

    2015-01-01

    A scalable computational approach to the simulation of propellant tank sloshing dynamics in microgravity is presented. In this work, we use the lattice Boltzmann equation (LBE) to approximate the behavior of two-phase, single-component isothermal flows at very low Bond numbers. Through the use of a non-ideal gas equation of state and a modified multiple relaxation time (MRT) collision operator, the proposed method can simulate thermodynamically consistent phase transitions at temperatures and density ratios consistent with typical spacecraft cryogenic propellants, for example, liquid oxygen. Determination of the tank forces and moments relies upon the global momentum conservation of the fluid domain, and a parametric wall wetting model allows tuning of the free surface contact angle. Development of the interface is implicit and no interface tracking approach is required. Numerical examples illustrate the method's application to predicting bulk fluid motion including lateral propellant slosh in low-g conditions.

  20. Lattice Boltzmann Method for Spacecraft Propellant Slosh Simulation

    NASA Technical Reports Server (NTRS)

    Orr, Jeb S.; Powers, Joseph F.; Yang, Hong Q

    2015-01-01

    A scalable computational approach to the simulation of propellant tank sloshing dynamics in microgravity is presented. In this work, we use the lattice Boltzmann equation (LBE) to approximate the behavior of two-phase, single-component isothermal flows at very low Bond numbers. Through the use of a non-ideal gas equation of state and a modified multiple relaxation time (MRT) collision operator, the proposed method can simulate thermodynamically consistent phase transitions at temperatures and density ratios consistent with typical spacecraft cryogenic propellants, for example, liquid oxygen. Determination of the tank forces and moments is based upon a novel approach that relies on the global momentum conservation of the closed fluid domain, and a parametric wall wetting model allows tuning of the free surface contact angle. Development of the interface is implicit and no interface tracking approach is required. A numerical example illustrates the method's application to prediction of bulk fluid behavior during a spacecraft ullage settling maneuver.

  1. Lattice-Boltzmann Simulation of Coalescence-Driven Island Coarsening

    SciTech Connect

    Hakan Basagaoglu; Christopher T. Green; Paul Meakin; Benjamin J. McCoy

    2004-10-01

    A two-dimensional lattice-Boltzmann model (LBM) with fluid-fluid interactions was used to simulate first-order phase separation in a thin fluid film. The intermediate asymptotic time dependence of the mean island size, island number concentration, and polydispersity were determined and compared with the predictions of the distribution-kinetics model. The comparison revealed that the combined effects of growth, coalescence, and Ostwald ripening control the phase transition process in the LBM simulations. However, the overall process is dominated by coalescence, which is independent of island mass. As the phase transition advances, the mean island size increases, the number of islands decrease, and the polydispersity approaches unity, which conforms to the predictions of the distribution-kinetics model. The effects of the domain size on the intermediate asymptotic island size distribution, scaling form of the island size distribution, and the crossover to the long-term asymptotic behavior were elucidated. (C) 2004 American Institute of Physics.

  2. Lattice Commissioning Stretgy Simulation for the B Factory

    SciTech Connect

    Lee, M.; Whittum, D.; Yan, Y.; Cai, Y.; Shoaee, H.; /SLAC

    2011-08-26

    To prepare for the PEP-II turn on, we have studied one commissioning strategy with simulated lattice errors. Features such as difference and absolute orbit analysis and correction are discussed. To prepare for the commissioning of the PEP-II injection line and high energy ring (HER), we have developed a system for on-line orbit analysis by merging two existing codes: LEGO and RESOLVE. With the LEGO-RESOLVE system, we can study the problem of finding quadrupole alignment and beam position (BPM) offset errors with simulated data. We have increased the speed and versatility of the orbit analysis process by using a command file written in a script language designed specifically for RESOLVE. In addition, we have interfaced the LEGO-RESOLVE system to the control system of the B-Factory. In this paper, we describe online analysis features of the LEGO-RESOLVE system and present examples of practical applications.

  3. Towards Full Aircraft Airframe Noise Prediction: Lattice Boltzmann Simulations

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Fares, Ehab; Casalino, Damiano

    2014-01-01

    Computational results for an 18%-scale, semi-span Gulfstream aircraft model are presented. Exa Corporation's lattice Boltzmann PowerFLOW(trademark) solver was used to perform time-dependent simulations of the flow field associated with this high-fidelity aircraft model. The simulations were obtained for free-air at a Mach number of 0.2 with the flap deflected at 39 deg (landing configuration). We focused on accurately predicting the prominent noise sources at the flap tips and main landing gear for the two baseline configurations, namely, landing flap setting without and with gear deployed. Capitalizing on the inherently transient nature of the lattice Boltzmann formulation, the complex time-dependent flow features associated with the flap were resolved very accurately and efficiently. To properly simulate the noise sources over a broad frequency range, the tailored grid was very dense near the flap inboard and outboard tips. Extensive comparison of the computed time-averaged and unsteady surface pressures with wind tunnel measurements showed excellent agreement for the global aerodynamic characteristics and the local flow field at the flap inboard and outboard tips and the main landing gear. In particular, the computed fluctuating surface pressure field for the flap agreed well with the measurements in both amplitude and frequency content, indicating that the prominent airframe noise sources at the tips were captured successfully. Gear-flap interaction effects were remarkably well predicted and were shown to affect only the inboard flap tip, altering the steady and unsteady pressure fields in that region. The simulated farfield noise spectra for both baseline configurations, obtained using a Ffowcs-Williams and Hawkings acoustic analogy approach, were shown to be in close agreement with measured values.

  4. Large Eddy Simulations using Lattice Boltzmann algorithms. Final report

    SciTech Connect

    Serling, J.D.

    1993-09-28

    This report contains the results of a study performed to implement eddy-viscosity models for Large-Eddy-Simulations (LES) into Lattice Boltzmann (LB) algorithms for simulating fluid flows. This implementation requires modification of the LB method of simulating the incompressible Navier-Stokes equations to allow simulation of the filtered Navier-Stokes equations with some subgrid model for the Reynolds stress term. We demonstrate that the LB method can indeed be used for LES by simply locally adjusting the value of the BGK relaxation time to obtain the desired eddy-viscosity. Thus, many forms of eddy-viscosity models including the standard Smagorinsky model or the Dynamic model may be implemented using LB algorithms. Since underresolved LB simulations often lead to instability, the LES model actually serves to stabilize the method. An alternative method of ensuring stability is presented which requires that entropy increase during the collision step of the LB method. Thus, an alternative collision operator is locally applied if the entropy becomes too low. This stable LB method then acts as an LES scheme that effectively introduces its own eddy viscosity to damp short wavelength oscillations.

  5. A new lattice Monte Carlo method for simulating dielectric inhomogeneity

    NASA Astrophysics Data System (ADS)

    Duan, Xiaozheng; Wang, Zhen-Gang; Nakamura, Issei

    We present a new lattice Monte Carlo method for simulating systems involving dielectric contrast between different species by modifying an algorithm originally proposed by Maggs et al. The original algorithm is known to generate attractive interactions between particles that have different dielectric constant than the solvent. Here we show that such attractive force is spurious, arising from incorrectly biased statistical weight caused by the particle motion during the Monte Carlo moves. We propose a new, simple algorithm to resolve this erroneous sampling. We demonstrate the application of our algorithm by simulating an uncharged polymer in a solvent with different dielectric constant. Further, we show that the electrostatic fields in ionic crystals obtained from our simulations with a relatively small simulation box correspond well with results from the analytical solution. Thus, our Monte Carlo method avoids the need for the Ewald summation in conventional simulation methods for charged systems. This work was supported by the National Natural Science Foundation of China (21474112 and 21404103). We are grateful to Computing Center of Jilin Province for essential support.

  6. SU (2) lattice gauge theory simulations on Fermi GPUs

    SciTech Connect

    Cardoso, Nuno; Bicudo, Pedro

    2011-05-10

    In this work we explore the performance of CUDA in quenched lattice SU (2) simulations. CUDA, NVIDIA Compute Unified Device Architecture, is a hardware and software architecture developed by NVIDIA for computing on the GPU. We present an analysis and performance comparison between the GPU and CPU in single and double precision. Analyses with multiple GPUs and two different architectures (G200 and Fermi architectures) are also presented. In order to obtain a high performance, the code must be optimized for the GPU architecture, i.e., an implementation that exploits the memory hierarchy of the CUDA programming model. We produce codes for the Monte Carlo generation of SU (2) lattice gauge configurations, for the mean plaquette, for the Polyakov Loop at finite T and for the Wilson loop. We also present results for the potential using many configurations (50,000) without smearing and almost 2000 configurations with APE smearing. With two Fermi GPUs we have achieved an excellent performance of 200x the speed over one CPU, in single precision, around 110 Gflops/s. We also find that, using the Fermi architecture, double precision computations for the static quark-antiquark potential are not much slower (less than 2x slower) than single precision computations.

  7. 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.

  8. Volumetric lattice Boltzmann simulation for blood flow in aorta arteries

    NASA Astrophysics Data System (ADS)

    Deep, Debanjan; Yu, Huidan (Whitney); Teague, Shawn

    2012-11-01

    Complicated moving boundaries pose a major challenge in computational fluid dynamics for complex flows, especially in the biomechanics of both blood flow in the cardiovascular system and air flow in the respiratory system where the compliant nature of the vessels can have significant effects on the flow rate and wall shear stress. We develop a computation approach to treat arbitrarily moving boundaries using a volumetric representation of lattice Boltzmann method, which distributes fluid particles inside lattice cells. A volumetric bounce-back procedure is applied in the streaming step while momentum exchange between the fluid and moving solid boundary are accounted for in the collision sub-step. Additional boundary-induced migration is introduced to conserve fluid mass as the boundary moves across fluid cells. The volumetric LBM (VLBM) is used to simulate blood flow in both normal and dilated aorta arteries. We first compare flow structure and pressure distribution in steady state with results from Navier-Stokes based solver and good agreements are achieved. Then we focus on wall stress within the aorta for different heart pumping condition and present quantitative measurement of wall shear and normal stress.

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

    SciTech Connect

    Yu Yue; Yang Kun

    2010-10-08

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

  10. Lattice Boltzmann simulations of a viscoelastic shear-thinning fluid

    NASA Astrophysics Data System (ADS)

    Papenkort, S.; Voigtmann, Th.

    2015-07-01

    We present a hybrid lattice Boltzmann algorithm for the simulation of flow glass-forming fluids, characterized by slow structural relaxation, at the level of the Navier-Stokes equation. The fluid is described in terms of a nonlinear integral constitutive equation, relating the stress tensor locally to the history of flow. As an application, we present results for an integral nonlinear Maxwell model that combines the effects of (linear) viscoelasticity and (nonlinear) shear thinning. We discuss the transient dynamics of velocities, shear stresses, and normal stress differences in planar pressure-driven channel flow, after switching on (startup) and off (cessation) of the driving pressure. This transient dynamics depends nontrivially on the channel width due to an interplay between hydrodynamic momentum diffusion and slow structural relaxation.

  11. Lattice Boltzmann simulations of a viscoelastic shear-thinning fluid.

    PubMed

    Papenkort, S; Voigtmann, Th

    2015-07-28

    We present a hybrid lattice Boltzmann algorithm for the simulation of flow glass-forming fluids, characterized by slow structural relaxation, at the level of the Navier-Stokes equation. The fluid is described in terms of a nonlinear integral constitutive equation, relating the stress tensor locally to the history of flow. As an application, we present results for an integral nonlinear Maxwell model that combines the effects of (linear) viscoelasticity and (nonlinear) shear thinning. We discuss the transient dynamics of velocities, shear stresses, and normal stress differences in planar pressure-driven channel flow, after switching on (startup) and off (cessation) of the driving pressure. This transient dynamics depends nontrivially on the channel width due to an interplay between hydrodynamic momentum diffusion and slow structural relaxation. PMID:26233150

  12. Monte Carlo simulations of ABC stacked kagome lattice films

    NASA Astrophysics Data System (ADS)

    Yerzhakov, H. V.; Plumer, M. L.; Whitehead, J. P.

    2016-05-01

    Properties of films of geometrically frustrated ABC stacked antiferromagnetic kagome layers are examined using Metropolis Monte Carlo simulations. The impact of having an easy-axis anisotropy on the surface layers and cubic anisotropy in the interior layers is explored. The spin structure at the surface is shown to be different from that of the bulk 3D fcc system, where surface axial anisotropy tends to align spins along the surface [1 1 1] normal axis. This alignment then propagates only weakly to the interior layers through exchange coupling. Results are shown for the specific heat, magnetization and sub-lattice order parameters for both surface and interior spins in three and six layer films as a function of increasing axial surface anisotropy. Relevance to the exchange bias phenomenon in IrMn3 films is discussed.

  13. Atom-optics simulator of lattice transport phenomena

    NASA Astrophysics Data System (ADS)

    Meier, Eric J.; An, Fangzhao Alex; Gadway, Bryce

    2016-05-01

    We experimentally investigate a scheme for studying lattice transport phenomena, based on the controlled momentum-space dynamics of ultracold atomic matter waves. In the effective tight-binding models that can be simulated, we demonstrate that this technique allows for a local and time-dependent control over all system parameters, and additionally allows for single-site resolved detection of atomic populations. We demonstrate full control over site-to-site off-diagonal tunneling elements (amplitude and phase) and diagonal site energies, through the observation of continuous-time quantum walks, Bloch oscillations, and negative tunneling. These capabilities open up new prospects in the experimental study of disordered and topological systems.

  14. Monte Carlo simulations of ABC stacked kagome lattice films.

    PubMed

    Yerzhakov, H V; Plumer, M L; Whitehead, J P

    2016-05-18

    Properties of films of geometrically frustrated ABC stacked antiferromagnetic kagome layers are examined using Metropolis Monte Carlo simulations. The impact of having an easy-axis anisotropy on the surface layers and cubic anisotropy in the interior layers is explored. The spin structure at the surface is shown to be different from that of the bulk 3D fcc system, where surface axial anisotropy tends to align spins along the surface [1 1 1] normal axis. This alignment then propagates only weakly to the interior layers through exchange coupling. Results are shown for the specific heat, magnetization and sub-lattice order parameters for both surface and interior spins in three and six layer films as a function of increasing axial surface anisotropy. Relevance to the exchange bias phenomenon in IrMn3 films is discussed. PMID:27092744

  15. The folding of knotted proteins: insights from lattice simulations.

    PubMed

    Faísca, Patrícia F N; Travasso, Rui D M; Charters, Tiago; Nunes, Ana; Cieplak, Marek

    2010-01-01

    We carry out systematic Monte Carlo simulations of Gō lattice proteins to investigate and compare the folding processes of two model proteins whose native structures differ from each other due to the presence of a trefoil knot located near the terminus of one of the protein chains. We show that the folding time of the knotted fold is larger than that of the unknotted protein and that this difference in folding time is particularly striking in the temperature region below the optimal folding temperature. Both proteins display similar folding transition temperatures, which is indicative of similar thermal stabilities. By using the folding probability reaction coordinate as an estimator of folding progression we have found out that the formation of the knot is mainly a late folding event in our shallow knot system. PMID:20130340

  16. The folding of knotted proteins: insights from lattice simulations

    NASA Astrophysics Data System (ADS)

    Faísca, Patrícia F. N.; Travasso, Rui D. M.; Charters, Tiago; Nunes, Ana; Cieplak, Marek

    2010-03-01

    We carry out systematic Monte Carlo simulations of Gō lattice proteins to investigate and compare the folding processes of two model proteins whose native structures differ from each other due to the presence of a trefoil knot located near the terminus of one of the protein chains. We show that the folding time of the knotted fold is larger than that of the unknotted protein and that this difference in folding time is particularly striking in the temperature region below the optimal folding temperature. Both proteins display similar folding transition temperatures, which is indicative of similar thermal stabilities. By using the folding probability reaction coordinate as an estimator of folding progression we have found out that the formation of the knot is mainly a late folding event in our shallow knot system.

  17. Massively parallel simulations of multiphase flows using Lattice Boltzmann methods

    NASA Astrophysics Data System (ADS)

    Ahrenholz, Benjamin

    2010-03-01

    In the last two decades the lattice Boltzmann method (LBM) has matured as an alternative and efficient numerical scheme for the simulation of fluid flows and transport problems. Unlike conventional numerical schemes based on discretizations of macroscopic continuum equations, the LBM is based on microscopic models and mesoscopic kinetic equations. The fundamental idea of the LBM is to construct simplified kinetic models that incorporate the essential physics of microscopic or mesoscopic processes so that the macroscopic averaged properties obey the desired macroscopic equations. Especially applications involving interfacial dynamics, complex and/or changing boundaries and complicated constitutive relationships which can be derived from a microscopic picture are suitable for the LBM. In this talk a modified and optimized version of a Gunstensen color model is presented to describe the dynamics of the fluid/fluid interface where the flow field is based on a multi-relaxation-time model. Based on that modeling approach validation studies of contact line motion are shown. Due to the fact that the LB method generally needs only nearest neighbor information, the algorithm is an ideal candidate for parallelization. Hence, it is possible to perform efficient simulations in complex geometries at a large scale by massively parallel computations. Here, the results of drainage and imbibition (Degree of Freedom > 2E11) in natural porous media gained from microtomography methods are presented. Those fully resolved pore scale simulations are essential for a better understanding of the physical processes in porous media and therefore important for the determination of constitutive relationships.

  18. Treatment of moving boundaries in lattice-Boltzmann simulations.

    NASA Astrophysics Data System (ADS)

    Indireshkumar, K.; Pal, A.; Brasseur, J. G.

    2000-11-01

    We consider the treatment of moving boundaries with the lattice-Boltzmann (LB) technique, where the treatment of the boundary often does not precisely conserve mass and spurious fluctuations in density/pressure result from boundary motion through fixed grids. First, we applied the extrapolation method proposed by Chen et. al.(S. Y. Chen, D. Martinez, and R Mei, Phys. Fluids) 8, 2527 (1996) to incompressible flow induced by the movement of a piston in a 2D ``cylinder'' with mass flow out of or into the cylinder. In these simulations, the velocity of the boundary nodes is set equal to the (known) velocity of the boundary (piston) in the equilibrium distribution function (Method I). In a second set of simulations, the boundary node velocities are obtained by interpolating between interior nodes and the boundary, thus including the effect of boundary position more precisely (Method II). Comparison of LB predictions with simulations using FIDAP show pressure agreement to witnin 2 %. The total mass is conserved to within 0.1% with Method I and improves to within 0.02 % using method II. Spurious fluctuations in density/pressure due to boundary movement is about 0.9% with Method I, which improves significantly to about 0.3% with Method II. The application of these simple techniques to more complex geometries and wall (and fluid) motions in a stomach during gastric emptying will be presented.

  19. Lattice Boltzmann simulations of settling behaviors of irregularly shaped particles

    NASA Astrophysics Data System (ADS)

    Zhang, Pei; Galindo-Torres, S. A.; Tang, Hongwu; Jin, Guangqiu; Scheuermann, A.; Li, Ling

    2016-06-01

    We investigated the settling dynamics of irregularly shaped particles in a still fluid under a wide range of conditions with Reynolds numbers Re varying between 1 and 2000, sphericity ϕ and circularity c both greater than 0.5, and Corey shape factor (CSF) less than 1. To simulate the particle settling process, a modified lattice Boltzmann model combined with a turbulence module was adopted. This model was first validated using experimental data for particles of spherical and cubic shapes. For irregularly shaped particles, two different types of settling behaviors were observed prior to particles reaching a steady state: accelerating and accelerating-decelerating, which could be distinguished by a critical CSF value of approximately 0.7. The settling dynamics were analyzed with a focus on the projected areas and angular velocities of particles. It was found that a minor change in the starting projected area, an indicator of the initial particle orientation, would not strongly affect the settling velocity for low Re. Periodic oscillations developed for all simulated particles when Re>100 . The amplitude of these oscillations increased with Re. However, the periods were not sensitive to Re. The critical Re that defined the transition between the steady and periodically oscillating behaviors depended on the inertia tensor. In particular, the maximum eigenvalue of the inertia tensor played a major role in signaling this transition in comparison to the intermediate and minimum eigenvalues.

  20. Lattice QCD at the physical point: simulation and analysis details

    NASA Astrophysics Data System (ADS)

    Dürr, S.; Fodor, Z.; Hoelbling, C.; Katz, S. D.; Krieg, S.; Kurth, T.; Lellouch, L.; Lippert, T.; Szabó, K. K.; Vulvert, G.

    2011-08-01

    We give details of our precise determination of the light quark masses m ud = ( m u + m d )/2 and m s in 2 + 1 flavor QCD, with simulated pion masses down to 120 MeV, at five lattice spacings, and in large volumes. The details concern the action and algorithm employed, the HMC force with HEX smeared clover fermions, the choice of the scale setting procedure and of the input masses. After an overview of the simulation parameters, extensive checks of algorithmic stability, autocorrelation and (practical) ergodicity are reported. To corroborate the good scaling properties of our action, explicit tests of the scaling of hadron masses in N f = 3 QCD are carried out. Details of how we control finite volume effects through dedicated finite volume scaling runs are reported. To check consistency with SU(2) Chiral Perturbation Theory the behavior of M π 2 /m ud and F π as a function of m ud is investigated. Details of how we use the RI/MOM procedure with a separate continuum limit of the running of the scalar density R S ( μ, μ') are given. This procedure is shown to reproduce the known value of r 0 m s in quenched QCD. Input from dispersion theory is used to split our value of m ud into separate values of m u and m d . Finally, our procedure to quantify both systematic and statistical uncertainties is discussed.

  1. Lattice Boltzmann simulations of drops colliding with solid surfaces

    NASA Astrophysics Data System (ADS)

    Jia, X.; McLaughlin, J. B.; Kontomaris, K.

    2009-04-01

    Video images of drops colliding with solid surfaces shown by Rioboo et al. (2002) reveal that, for large drop velocities, the drops flatten and form a ring structure before receding and, in some cases, rebounding from the surface. They described the sequence of events in terms of four distinct regimes. During the initial kinematic phase, the dimensionless wetting radius of the drop follows a universal form if the drop Weber and Reynolds numbers are sufficiently large. In the second phase, the drop becomes highly flattened and the values of the Weber and Reynolds numbers influence the time evolution of the dimensionless wetting radius and its maximum value. This is followed by a third phase in which the wetting radius begins to decrease with time and the wettability of the surface influences the dynamics. This paper presents simulation results for the early stages of drop impact and spreading on a partially wetting solid surface. The simulations were performed with a modified version of the lattice Boltzmann method (LBM) developed by Inamuro et al. (2004) for a liquid-gas density ratio of 1000. The Inamuro et al. version of the LBM was modified by incorporating rigid, no-slip boundary conditions and incorporating a boundary condition on the normal derivative of the order parameter to impose the desired equilibrium contact angle.

  2. Lattice Boltzmann simulation for forced two-dimensional turbulence.

    PubMed

    Xia, YuXian; Qian, YueHong

    2014-08-01

    The direct numerical simulations of forced two-dimensional turbulent flow are presented by using the lattice Boltzmann method. The development of an energy-enstrophy double cascade is investigated in the two cases of external force of two-dimensional turbulence, Gaussian force and Kolmogorov force. It is found that the friction force is a necessary condition of the occurrence of a double cascade. The energy spectrum k(-3) in the enstrophy inertial range is in accord with the classical Kraichnan theory for both external forces. The energy spectrum of the Gaussian force case in an inverse cascade is k(-2); however, the Kolmogorov force drives the k(-5/3) energy in a backscatter cascade. The result agrees with Scott's standpoint, which describes nonrobustness of the two-dimensional turbulent inverse cascade. Also, intermittency is found for the enstrophy cascade in two cases of the external force form. Intermittency refers to the nonuniform distribution of saddle points in the two-dimensional turbulent flow. PMID:25215817

  3. Lattice Boltzmann simulation for forced two-dimensional turbulence

    NASA Astrophysics Data System (ADS)

    Xia, YuXian; Qian, YueHong

    2014-08-01

    The direct numerical simulations of forced two-dimensional turbulent flow are presented by using the lattice Boltzmann method. The development of an energy-enstrophy double cascade is investigated in the two cases of external force of two-dimensional turbulence, Gaussian force and Kolmogorov force. It is found that the friction force is a necessary condition of the occurrence of a double cascade. The energy spectrum k-3 in the enstrophy inertial range is in accord with the classical Kraichnan theory for both external forces. The energy spectrum of the Gaussian force case in an inverse cascade is k-2; however, the Kolmogorov force drives the k-5/3 energy in a backscatter cascade. The result agrees with Scott's standpoint, which describes nonrobustness of the two-dimensional turbulent inverse cascade. Also, intermittency is found for the enstrophy cascade in two cases of the external force form. Intermittency refers to the nonuniform distribution of saddle points in the two-dimensional turbulent flow.

  4. Better than $l/Mflops sustained: a scalable PC-based parallel computer for lattice QCD

    NASA Astrophysics Data System (ADS)

    Fodor, Zoltán; Katz, Sándor D.; Papp, Gábor

    2003-05-01

    We study the feasibility of a PC-based parallel computer for medium to large scale lattice QCD simulations. The Eötvös Univ., Inst. Theor. Phys. cluster consists of 137 Intel P4-1.7GHz nodes with 512 MB RDRAM. The 32-bit, single precision sustained performance for dynamical QCD without communication is 1510 Mflops/node with Wilson and 970 Mflops/node with staggered fermions. This gives a total performance of 208 Gflops for Wilson and 133 Gflops for staggered QCD, respectively (for 64-bit applications the performance is approximately halved). The novel feature of our system is its communication architecture. In order to have a scalable, cost-effective machine we use Gigabit Ethernet cards for nearest-neighbor communications in a two-dimensional mesh. This type of communication is cost effective (only 30% of the hardware costs is spent on the communication). According to our benchmark measurements this type of communication results in around 40% communication time fraction for lattices upto 48 3·96 in full QCD simulations. The price/sustained-performance ratio for full QCD is better than l/Mflops for Wilson (and around 1.5/Mflops for staggered) quarks for practically any lattice size, which can fit in our parallel computer. The communication software is freely available upon request for non-profit organizations.

  5. A Semi-Implicit Lattice Method for Simulating Flow

    SciTech Connect

    Rector, David R.; Stewart, Mark L.

    2010-09-20

    We propose a new semi-implicit lattice numerical method for modeling fluid flow that depends only on local primitive variable information (density, pressure, velocity) and not on relaxed upstream distribution function values. This method has the potential for reducing parallel communication and permitting larger time steps compared to the lattice Boltzmann method. The lid-driven cavity is modeled to demonstrate the accuracy of the method.

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

    NASA Astrophysics Data System (ADS)

    Eising, G.; Kooi, B. J.

    2012-06-01

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

  7. More Efficient Thermalization of Gauge Fields in Lattice QCD Simulations

    SciTech Connect

    Frigori, R.B.; Cucchieri, A.; Mendes, T.; Mihara, A.

    2004-12-02

    We introduce a new thermalization algorithm for pure SU(2) lattice gauge theory by combining heat-bath and micro-canonical updates in a single step, while preserving ergodicity. We test the new algorithm in the two-dimensional case and compare its performance with the standard heat-bath method.

  8. Multiple-relaxation-time lattice Boltzmann simulations of turbulent channel and pipe flows.

    NASA Astrophysics Data System (ADS)

    Opadrishta, Harish; Peng, Cheng; Wang, Lian-Ping

    2015-11-01

    The mesoscopic Lattice Boltzmann method (LBM) has become a reliable alternative for solving incompressible turbulent flows. However, the statistics of a simulated turbulent flow near a curved boundary may deviate from the physical rotational invariance (RI) of lattice coordinates. The main objective of this study is to compare the effects of different lattice models on the simulation results of turbulent flows, and explore ways to restore RI near a curved boundary. We will apply D3Q19 and D3Q27 multiple-relaxation-time LBM models to simulate turbulent pipe and channel flows. The statistics of the simulated flows are examined to quantify the nature of departures from RI. To help understand whether the departure is originated from the bounce-back scheme at the solid wall, we will perform simulations of a turbulent channel flow with walls orientated at an angle from the lattice grid, and test the use of an overset lattice grid near a pipe wall. The Chapman-Enskog analysis of these models will be performed to probe RI errors near a boundary. Our goal is to eventually perform an accurate direct numerical simulation of a turbulent pipe flow, and compare the results to previous simulations based on the Navier-Stokes equations.

  9. Lattice gas hydrodynamics: Theory and simulations. Final report

    SciTech Connect

    Hasslacher, B.

    1993-05-01

    The first successful application of a microscopic analogy to create a skeleton cellular automaton and analyze it with statistical mechanical tools, was the work of Frisch, Hasslacher and Pomeau on the Navier-Stokes equation in two and three dimensions. This has become a very large research area with lattice gas models and methods being used for both fundamental investigations into the foundations of statistical mechanics and a large number of diverse applications. This present research was devoted to enlarging the fundamental scope of lattice gas models and proved quite successful. Since the beginning of this proposal, cellular automata have been constructed for statistical mechanical models, fluids, diffusion and shock systems in fundamental investigations. In applied areas, there are now excellent lattice gas models for complex flows through porous media, chemical reaction and combustion dynamics, multiphase flow systems, and fluid mixtures with natural boundaries. With extended cellular fluid models, one can do problems with arbitrary pairwise potentials. Recently, these have been applied to such problems as non-newtonian or polymeric liquids and a mixture of immiscible fluids passing through fractal or spongelike media in two and three dimensions. This proposal has contributed to and enlarged the scope of this work.

  10. Quantum simulation of magnetic kinks with dipolar lattice gases

    NASA Astrophysics Data System (ADS)

    Cao, Lushuai; Yin, Xiangguo; Schmelcher, Peter

    2015-05-01

    We propose an effective Ising spin chain constructed with dipolar quantum gases confined in a one-dimensional optical superlattice. Mapping the motional degrees of freedom of a single particle in the lattice onto a pseudo-spin results in effective transverse and longitudinal magnetic fields. This effective Ising spin chain exhibits a quantum phase transition from a paramagnetic to a single-kink phase as the dipolar interaction increases. Particularly in the single-kink phase, a magnetic kink arises in the effective spin chain and behaves as a quasi-particle in a pinning potential exerted by the longitudinal magnetic field. Being realizable with current experimental techniques, this effective Ising chain presents a unique platform for emulating the quantum phase transition as well as the magnetic kink effects in the Ising-spin chain and enriches the toolbox for quantum emulation of spin models by ultracold quantum gases.

  11. Simulation of non-Abelian lattice gauge fields with a single-component gas

    NASA Astrophysics Data System (ADS)

    Kosior, Arkadiusz; Sacha, Krzysztof

    2014-07-01

    We show that non-Abelian lattice gauge fields can be simulated with a single-component ultra-cold atomic gas in an optical-lattice potential. An optical lattice can be viewed as a Bravais lattice with a N-point basis. An atom located at different points of the basis can be considered as a particle in different internal states. The appropriate engineering of tunneling amplitudes of atoms in an optical lattice allows one to realize U(N) gauge potentials and control a mass of particles that experience such non-Abelian gauge fields. We provide and analyze a concrete example of an optical-lattice configuration that allows for simulation of a static U(2) gauge model with a constant Wilson loop and an adjustable mass of particles. In particular, we observe that the non-zero mass creates large conductive gaps in the energy spectrum, which could be important in the experimental detection of the transverse Hall conductivity.

  12. Quantum Field Theories on the Lattice : Concepts behind their Numerical Simulations

    NASA Astrophysics Data System (ADS)

    Bietenholz, Wolfgang

    2011-09-01

    We review the basic ideas behind numerical simulations of quantum field theory, which lead to non-perturbative results in particle physics. We first sketch the functional integral formulation of quantum mechanics, its transition to Euclidean time and the link to statistical mechanics. Then we proceed to quantum field theory in the lattice regularization, and its applications to scalar fields, gauge fields and fermions. In particular we address the treatment of chiral symmetry. At last we describe the formulation of lattice QCD and comment on simulations and results.

  13. Coupling of the model reduction technique with the lattice Boltzmann method for combustion simulations

    SciTech Connect

    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)

  14. Lattice Boltzmann simulation of a fluid flow around a triangular unit of three isothermal cylinders

    NASA Astrophysics Data System (ADS)

    Alinejad, J.

    2016-01-01

    The lattice Boltzmann method is employed to simulate heat transfer in the flow past three arrangements of elliptical and circular cylinders under an isothermal boundary condition. The lattice Boltzmann equations and the Bhatnagar-Gross-Krook model are used to simulate two-dimensional forced convection at 30 ≤ Re ≤ 100 and Pr = 0.71. Pressure distributions, isotherms, and streamlines are obtained. Vortex shedding maps are observed in detail for several cases. The present results are in good agreement with available experimental and numerical data.

  15. QCD at nonzero chemical potential: Recent progress on the lattice

    NASA Astrophysics Data System (ADS)

    Aarts, Gert; Attanasio, Felipe; Jäger, Benjamin; Seiler, Erhard; Sexty, Dénes; Stamatescu, Ion-Olimpiu

    2016-01-01

    We summarise recent progress in simulating QCD at nonzero baryon density using complex Langevin dynamics. After a brief outline of the main idea, we discuss gauge cooling as a means to control the evolution. Subsequently we present a status report for heavy dense QCD and its phase structure, full QCD with staggered quarks, and full QCD with Wilson quarks, both directly and using the hopping parameter expansion to all orders.

  16. Lattice Boltzmann Simulation Optimization on Leading Multicore Platforms

    SciTech Connect

    Williams, Samuel; Carter, Jonathan; Oliker, Leonid; Shalf, John; Yelick, Katherine

    2008-02-01

    We present an auto-tuning approach to optimize application performance on emerging multicore architectures. The methodology extends the idea of search-based performance optimizations, popular in linear algebra and FFT libraries, to application-specific computational kernels. Our work applies this strategy to a lattice Boltzmann application (LBMHD) that historically has made poor use of scalar microprocessors due to its complex data structures and memory access patterns. We explore one of the broadest sets of multicore architectures in the HPC literature, including the Intel Clovertown, AMD Opteron X2, Sun Niagara2, STI Cell, as well as the single core Intel Itanium2. Rather than hand-tuning LBMHD for each system, we develop a code generator that allows us identify a highly optimized version for each platform, while amortizing the human programming effort. Results show that our auto-tuned LBMHD application achieves up to a 14x improvement compared with the original code. Additionally, we present detailed analysis of each optimization, which reveal surprising hardware bottlenecks and software challenges for future multicore systems and applications.

  17. Classical simulation of infinite-size quantum lattice systems in two spatial dimensions.

    PubMed

    Jordan, J; Orús, R; Vidal, G; Verstraete, F; Cirac, J I

    2008-12-19

    We present an algorithm to simulate two-dimensional quantum lattice systems in the thermodynamic limit. Our approach builds on the projected entangled-pair state algorithm for finite lattice systems [F. Verstraete and J. I. Cirac, arxiv:cond-mat/0407066] and the infinite time-evolving block decimation algorithm for infinite one-dimensional lattice systems [G. Vidal, Phys. Rev. Lett. 98, 070201 (2007)10.1103/PhysRevLett.98.070201]. The present algorithm allows for the computation of the ground state and the simulation of time evolution in infinite two-dimensional systems that are invariant under translations. We demonstrate its performance by obtaining the ground state of the quantum Ising model and analyzing its second order quantum phase transition. PMID:19113687

  18. Bias-free simulation of diffusion-limited aggregation on a square lattice

    NASA Astrophysics Data System (ADS)

    Loh, Yen Lee

    We identify sources of systematic error in traditional simulations of the Witten-Sander model of diffusion-limited aggregation (DLA) on a square lattice. Based on semi-analytic solutions of the walk-to-line and walk-to-square first-passage problems, we develop an algorithm that reduces the simulation bias to below 10-12. We grow clusters of 108 particles on 65536 × 65536 lattices. We verify that lattice DLA clusters inevitably grow into anisotropic shapes, dictated by the anisotropy of the aggregation process. We verify that the fractal dimension evolves from the continuum DLA value, D = 1 . 71 , for small disk-shaped clusters, towards Kesten's bound of D = 3 / 2 for highly anisotropic clusters with long protruding arms.

  19. Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

    NASA Technical Reports Server (NTRS)

    Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)

    2005-01-01

    Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

  20. Higher representations on the lattice: Numerical simulations, SU(2) with adjoint fermions

    SciTech Connect

    Del Debbio, Luigi; Patella, Agostino; Pica, Claudio

    2010-05-01

    We discuss the lattice formulation of gauge theories with fermions in arbitrary representations of the color group and present in detail the implementation of the hybrid Monte Carlo (HMC)/rational HMC algorithm for simulating dynamical fermions. We discuss the validation of the implementation through an extensive set of tests and the stability of simulations by monitoring the distribution of the lowest eigenvalue of the Wilson-Dirac operator. Working with two flavors of Wilson fermions in the adjoint representation, benchmark results for realistic lattice simulations are presented. Runs are performed on different lattice sizes ranging from 4{sup 3}x8 to 24{sup 3}x64 sites. For the two smallest lattices we also report the measured values of benchmark mesonic observables. These results can be used as a baseline for rapid cross-checks of simulations in higher representations. The results presented here are the first steps toward more extensive investigations with controlled systematic errors, aiming at a detailed understanding of the phase structure of these theories, and of their viability as candidates for strong dynamics beyond the standard model.

  1. Lattice simulation study of SU(2) QCD with a nonzero baryon density

    NASA Astrophysics Data System (ADS)

    Braguta, V. V.; Kotov, A. Yu.; Nikolaev, A. A.; Valgushev, S. N.

    2015-06-01

    The lattice simulation of SU(2) QCD with two quark dynamical flavors and a nonzero baryon chemical potential has been performed. The dependence of the Polyakov loop and chiral condensate on the chemical potential has been studied. It has been shown that the chemical potential reduces the chiral condensate, thus weakening the breaking of the chiral symmetry.

  2. Boltzmann Fluctuations in Numerical Simulations of Nonequilibrium Lattice Threshold Systems

    SciTech Connect

    Rundle, J.B.; Klein, W.; Gross, S.; Turcotte, D.L.

    1995-08-21

    Nonequilibrium threshold systems such as slider blocks are now used to model a variety of dynamical systems, including earthquake faults, driven neural networks, and sliding charge density waves. We show that for general mean field models driven at low rates fluctuations in the internal energy field are characterized by Boltzmann statistics. Numerical simulations confirm this prediction. Our results indicate that mean field models can be effectively treated as equilibrium systems.

  3. Polarization simulations in the RHIC run 15 lattice

    SciTech Connect

    Meot, F.; Huang, H.; Luo, Y.; Ranjbar, V.; Robert-Demolaize, G.; White, S.

    2015-05-03

    RHIC polarized proton Run 15 uses a new acceleration ramp optics, compared to RHIC Run 13 and earlier runs, in relation with electron-lens beam-beam compensation developments. The new optics induces different strengths in the depolarizing snake resonance sequence, from injection to top energy. As a consequence, polarization transport along the new ramp has been investigated, based on spin tracking simulations. Sample results are reported and discussed.

  4. GPU phase-field lattice Boltzmann simulations of growth and motion of a binary alloy dendrite

    NASA Astrophysics Data System (ADS)

    Takaki, T.; Rojas, R.; Ohno, M.; Shimokawabe, T.; Aoki, T.

    2015-06-01

    A GPU code has been developed for a phase-field lattice Boltzmann (PFLB) method, which can simulate the dendritic growth with motion of solids in a dilute binary alloy melt. The GPU accelerated PFLB method has been implemented using CUDA C. The equiaxed dendritic growth in a shear flow and settling condition have been simulated by the developed GPU code. It has been confirmed that the PFLB simulations were efficiently accelerated by introducing the GPU computation. The characteristic dendrite morphologies which depend on the melt flow and the motion of the dendrite could also be confirmed by the simulations.

  5. Off-Lattice Monte Carlo Simulation of Supramolecular Polymer Architectures

    NASA Astrophysics Data System (ADS)

    Amuasi, H. E.; Storm, C.

    2010-12-01

    We introduce an efficient, scalable Monte Carlo algorithm to simulate cross-linked architectures of freely jointed and discrete wormlike chains. Bond movement is based on the discrete tractrix construction, which effects conformational changes that exactly preserve fixed-length constraints of all bonds. The algorithm reproduces known end-to-end distance distributions for simple, analytically tractable systems of cross-linked stiff and freely jointed polymers flawlessly, and is used to determine the effective persistence length of short bundles of semiflexible wormlike chains, cross-linked to each other. It reveals a possible regulatory mechanism in bundled networks: the effective persistence of bundles is controlled by the linker density.

  6. Developing extensible lattice-Boltzmann simulators for general-purpose graphics-processing units

    SciTech Connect

    Walsh, S C; Saar, M O

    2011-12-21

    Lattice-Boltzmann methods are versatile numerical modeling techniques capable of reproducing a wide variety of fluid-mechanical behavior. These methods are well suited to parallel implementation, particularly on the single-instruction multiple data (SIMD) parallel processing environments found in computer graphics processing units (GPUs). Although more recent programming tools dramatically improve the ease with which GPU programs can be written, the programming environment still lacks the flexibility available to more traditional CPU programs. In particular, it may be difficult to develop modular and extensible programs that require variable on-device functionality with current GPU architectures. This paper describes a process of automatic code generation that overcomes these difficulties for lattice-Boltzmann simulations. It details the development of GPU-based modules for an extensible lattice-Boltzmann simulation package - LBHydra. The performance of the automatically generated code is compared to equivalent purpose written codes for both single-phase, multiple-phase, and multiple-component flows. The flexibility of the new method is demonstrated by simulating a rising, dissolving droplet in a porous medium with user generated lattice-Boltzmann models and subroutines.

  7. Martian environmental simulation for a deployable lattice mast

    NASA Technical Reports Server (NTRS)

    Warden, Robert M.

    1994-01-01

    The Mars Pathfinder mission (formerly Mars Environmental Survey or MESUR) is scheduled for launch in December 1996 and is designed to place a small lander on the surface of Mars. After impact, the lander unfolds to expose its solar panels and release a miniature rover. Also on board is the Imager for Mars Pathfinder (IMP) binocular camera which is elevated by a deployable mast to obtain a panoramic view of the landing area. The design of this deployable mast is based on similar designs which have a long and successful flight history. In the past when this type of self-deployable mast has been used, a rate limiter has been incorporated to control the speed of deployment. In this application, to reduce weight and complexity, it was proposed to eliminate the rate limiter so that the mast would deploy without restraint. Preliminary tests showed that this type of deployment was possible especially if the deployed length was relatively short, as in this application. Compounding the problem, however, was the requirement to deploy the mast at an angle of up to 30 degrees from vertical. The deployment process was difficult to completely analyze due to the effects of gravitational and inertial loads on the mast and camera during rapid extension. Testing in a realistic manner was imperative to verify the system performance. A deployment test was therefore performed to determine the maximum tilt angle at which the mast could reliably extend and support the camera on Mars. The testing of the deployable mast requires partial gravity compensation to simulate the smaller force of Martian gravity. During the test, mass properties were maintained while weight properties were reduced. This paper describes the testing of a deployable mast in a simulated Martian environment as well as the results of the tests.

  8. Towards the reliable calculation of residence time for off-lattice kinetic Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Alexander, Kathleen C.; Schuh, Christopher A.

    2016-08-01

    Kinetic Monte Carlo (KMC) methods have the potential to extend the accessible timescales of off-lattice atomistic simulations beyond the limits of molecular dynamics by making use of transition state theory and parallelization. However, it is a challenge to identify a complete catalog of events accessible to an off-lattice system in order to accurately calculate the residence time for KMC. Here we describe possible approaches to some of the key steps needed to address this problem. These include methods to compare and distinguish individual kinetic events, to deterministically search an energy landscape, and to define local atomic environments. When applied to the ground state  ∑5(2 1 0) grain boundary in copper, these methods achieve a converged residence time, accounting for the full set of kinetically relevant events for this off-lattice system, with calculable uncertainty.

  9. Towards quantum simulation with two-electron 173Yb fermions in an optical lattice

    NASA Astrophysics Data System (ADS)

    Song, Bo; Zou, Yueyang; He, Chengdong; Haciyev, Elnur; Cai, Geyue; Chan, Wing Kin; Huang, Wei; Jo, Gyu-Boong

    2016-05-01

    Recent development of cooling and manipulating Ytterbium atoms opens a new avenue to investigate unprecedented atomic systems with SU(N) spin symmetry and orbital degrees of freedom. The available metastable states and narrow-line optical transitions of Ytterbium atoms allow for the versatile control of the system. Here, we first describe our apparatus for producing ultracold Ytterbium-173 quantum gases in an optical lattice. A gas of 3 ×104 Ytterbium-173 atoms is routinely produced at T /TF ~ 0 . 3 , and loaded into an optical lattice potential. Then we report our recent progress on the spin orbital (SO) coupling interaction realized in optical lattice. As a novel quantum simulator, cold Ytterbium atoms with SO coupling provide a platform to explore the intriguing topological physics. Funded by the Research Grants Council (RGC) of Hong Kong Project# 16300215.

  10. Computer simulation of fracture processes of concrete using mesolevel models of lattice structures

    SciTech Connect

    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.

  11. Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Obliger, Amaël; Duvail, Magali; Jardat, Marie; Coelho, Daniel; Békri, Samir; Rotenberg, Benjamin

    2013-07-01

    We report the calculation of all the transfer coefficients which couple the solvent and ionic fluxes through a charged pore under the effect of pressure, electrostatic potential, and concentration gradients. We use a combination of analytical calculations at the Poisson-Nernst-Planck and Navier-Stokes levels of description and mesoscopic lattice simulations based on kinetic theory. In the absence of added salt, i.e., when the only ions present in the fluid are the counterions compensating the charge of the surface, exact analytical expressions for the fluxes in cylindrical pores allow us to validate a new lattice-Boltzmann electrokinetics (LBE) scheme which accounts for the osmotic contribution to the transport of all species. The influence of simulation parameters on the numerical accuracy is thoroughly investigated. In the presence of an added salt, we assess the range of validity of approximate expressions of the fluxes computed from the linearized Poisson-Boltzmann equation by a systematic comparison with LBE simulations.

  12. Rossby vortex simulation on a paraboloidal coordinate system using the lattice Boltzmann method.

    PubMed

    Yu, H; Zhao, K

    2001-11-01

    In this paper, we apply our compressible lattice Boltzmann model to a rotating parabolic coordinate system to simulate Rossby vortices emerging in a layer of shallow water flowing zonally in a rotating paraboloidal vessel. By introducing a scaling factor, nonuniform curvilinear mesh can be mapped to a flat uniform mesh and then normal lattice Boltzmann method works. Since the mass per unit area on the two-dimensional (2D) surface varies with the thickness of the water layer, the 2D flow seems to be "compressible" and our compressible model is applied. Simulation solutions meet with the experimental observations qualitatively. Based on this research, quantitative solutions and many natural phenomena simulations in planetary atmospheres, oceans, and magnetized plasma, such as the famous Jovian Giant Red Spot, the Galactic Spiral-vortex, the Gulf Stream, and the Kuroshio Current, etc., can be expected. PMID:11736137

  13. Simulations of Heated Bluff-Bodies with the Multi-Speed Entropic Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Frapolli, Nicolò; Chikatamarla, Shyam S.; Karlin, Ilya

    2015-12-01

    Two-dimensional simulations of heated circular and square cylinders are performed in order to validate a recently introduced entropic thermal lattice Boltzmann model (Frapolli et al. in Phys Rev E 90:043306, 2014), and the new boundary conditions for complex walls and multi-speed lattices. Validation is carried out by comparing simulation results with other reference simulations and experiments. For the hydrodynamic field, the wake structure was analyzed by means of the wake recirculation length for both steady and unsteady two-dimensional regimes, by comparing the Strouhal number of the vortex shedding associated with the first instability of the hydrodynamic field, and qualitatively by showing the streamlines for different Reynolds numbers. For the thermal part of the simulations, isotherms and mean Nusselt number are qualitatively and quantitatively compared with the literature results. All the computed quantities are found to agree excellently with the reference data available in the literature. This opens door for accurate simulations in complex geometries in thermal and compressible flow regimes with multi-speed lattices.

  14. Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems

    SciTech Connect

    Clague, D S; Weisgraber, T; Wheeler, E; Hon, G; Radford, J; Gascoyne, P; Smity, R; Liepmann, D; Meinhart, C; Santiago, J; Krulevitch, P

    2003-07-22

    The goal of this effort was to develop dynamic simulation tools to study and characterize particulate transport in Microfluidic devices. This includes the effects of external fields and near-field particle-particle, particle-surface interactions. The unique aspect of this effort is that we focused on the particles in suspension and rigorously accounted for all of the interactions that they experienced in solution. In contrast, other numerical methods within the program, finite element and finite volume approaches, typically treat the suspended species as non-interacting point particles. Later in the program, some of these approaches incorporated approximations to begin to account for particle-particle interactions. Through the programs (BioFlips and SIMBIOSYS), we developed collaborative relationships with device-oriented efforts. More specifically and at the request of the SIMBIOSYS program manager, we allowed our efforts/milestones to be more guided by the needs of our BioFlips colleagues; therefore, our efforts were focused on the needs of the MD Anderson Cancer Center (Peter Gascoyne), UCDavis (Rosemary Smith), and UC Berkeley (Dorian Liepmann). The first two collaborations involved the development of Dielectrophoresis analysis tools and the later involved the development of suspension and fluid modeling tools for microneedles.

  15. Simulation of liquid-vapour phase separation on GPUs using Lattice Boltzmann models with off-lattice velocity sets

    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.

  16. Effects of flavor-symmetry violation from staggered fermion lattice simulations of graphene

    SciTech Connect

    Giedt, Joel; Nayak, Saroj; Skinner, Andrew

    2011-01-15

    We analyze the effects of flavor splitting from staggered fermion lattice simulations of a low-energy effective theory for graphene. Both the unimproved action and the tadpole-improved action with a Naik term show significant flavor-symmetry breaking in the spectrum of the Dirac operator. Note that this is true even in the vicinity of the second-order phase transition point where it has been argued that the flavor-symmetry breaking should be small due to the continuum limit being approached. We show that at weaker couplings the flavor splitting is drastically reduced by stout link smearing, while this mechanism is ineffective at the stronger couplings relevant to suspended graphene. We also measure the average plaquette and describe how it calls for a reinterpretation of previous lattice Monte Carlo simulation results, due to tadpole improvement. After taking into account these effects, we conclude that previous lattice simulations are possibly indicative of an insulating phase, although the effective number of light flavors could be effectively less than two due to the flavor-splitting effects. If that is true, then simulations with truly chiral fermions (such as overlap fermions) are needed in order to settle the question.

  17. 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.

  18. Atomic quantum simulation of U(N) and SU(N) non-Abelian lattice gauge theories.

    PubMed

    Banerjee, D; Bögli, M; Dalmonte, M; Rico, E; Stebler, P; Wiese, U-J; Zoller, P

    2013-03-22

    Using ultracold alkaline-earth atoms in optical lattices, we construct a quantum simulator for U(N) and SU(N) lattice gauge theories with fermionic matter based on quantum link models. These systems share qualitative features with QCD, including chiral symmetry breaking and restoration at nonzero temperature or baryon density. Unlike classical simulations, a quantum simulator does not suffer from sign problems and can address the corresponding chiral dynamics in real time. PMID:25166816

  19. Momentum-exchange method in lattice Boltzmann simulations of particle-fluid interactions

    NASA Astrophysics Data System (ADS)

    Chen, Yu; Cai, Qingdong; Xia, Zhenhua; Wang, Moran; Chen, Shiyi

    2013-07-01

    The momentum exchange method has been widely used in lattice Boltzmann simulations for particle-fluid interactions. Although proved accurate for still walls, it will result in inaccurate particle dynamics without corrections. In this work, we reveal the physical cause of this problem and find that the initial momentum of the net mass transfer through boundaries in the moving-boundary treatment is not counted in the conventional momentum exchange method. A corrected momentum exchange method is then proposed by taking into account the initial momentum of the net mass transfer at each time step. The method is easy to implement with negligible extra computation cost. Direct numerical simulations of a single elliptical particle sedimentation are carried out to evaluate the accuracy for our method as well as other lattice Boltzmann-based methods by comparisons with the results of the finite element method. A shear flow test shows that our method is Galilean invariant.

  20. Application of the multicomponent lattice Boltzmann simulation method to oil/water dispersions

    NASA Astrophysics Data System (ADS)

    Seaton, M. A.; Halliday, I.; Masters, A. J.

    2011-03-01

    We study the propagation of acoustic fields in bounded, two-dimensional, mono-disperse oil/water emulsions using a carefully modified and appropriately calibrated single relaxation time multicomponent lattice Boltzmann equation simulation. Our model is a variant of an algorithm applying both interface forces based on macroscopic surface tensions and a kinematic condition for phase separation, adapted to allow sonic speed variations between its oil and water components. Appropriate second-order accurate acoustic boundary conditions are obtained from a node-based lattice closure with local mass conservation and applicability for varying fluid viscosities. Data from an example simulation of a single oil drop in water interacting with a generated standing acoustic wave are presented and, where appropriate, compared with empirical theories and analogous calculations for a solid object.

  1. The Linked Neighbour List (LNL) method for fast off-lattice Monte Carlo simulations of fluids

    NASA Astrophysics Data System (ADS)

    Mazzeo, M. D.; Ricci, M.; Zannoni, C.

    2010-03-01

    We present a new algorithm, called linked neighbour list (LNL), useful to substantially speed up off-lattice Monte Carlo simulations of fluids by avoiding the computation of the molecular energy before every attempted move. We introduce a few variants of the LNL method targeted to minimise memory footprint or augment memory coherence and cache utilisation. Additionally, we present a few algorithms which drastically accelerate neighbour finding. We test our methods on the simulation of a dense off-lattice Gay-Berne fluid subjected to periodic boundary conditions observing a speedup factor of about 2.5 with respect to a well-coded implementation based on a conventional link-cell. We provide several implementation details of the different key data structures and algorithms used in this work.

  2. Lattice Boltzmann multi-phase simulations in porous media using Multiple GPUs

    NASA Astrophysics Data System (ADS)

    Toelke, J.; De Prisco, G.; Mu, Y.

    2011-12-01

    Ingrain's digital rock physics lab computes the physical properties and fluid flow characteristics of oil and gas reservoir rocks including shales, carbonates and sandstones. Ingrain uses advanced lattice Boltzmann methods (LBM) to simulate multiphase flow in the rocks (porous media). We present a very efficient implementation of these methods based on CUDA. Because LBM operates on a finite difference grid, is explicit in nature, and requires only next-neighbor interactions, it is suitable for implementation on GPUs. Since GPU hardware allows for very fine grain parallelism, every lattice site can be handled by a different core. Data has to be loaded from and stored to the device memory in such a way that dense access to the memory is ensured. This can be achieved by accessing the lattice nodes with respect to their contiguous memory locations [1,2]. The simulation engine uses a sparse data structure to represent the grid and advanced algorithms to handle the moving fluid-fluid interface. The simulations are accelerated on one GPU by one order of magnitude compared to a state of the art multicore desktop computer. The engine is parallelized using MPI and runs on multiple GPUs in the same node or across the Infiniband network. Simulations with up to 50 GPUs in parallel are presented. With this simulator using it is possible to perform pore scale multi-phase (oil-water-matrix) simulations in natural porous media in a commercial manner and to predict important rock properties like absolute permeability, relative permeabilites and capillary pressure [3,4]. Results and videos of these simulations in complex real world porous media and rocks are presented and discussed.

  3. PRELIMINARY RESULTS FROM A SIMULATION OF QUENCHED QCD WITH OVERL AP FERMIONS ON A LARGE LATTICE.

    SciTech Connect

    BERRUTO,F.GARRON,N.HOELBLING,D.LELLOUCH,L.REBBI,C.SHORESH,N.

    2003-07-15

    We simulate quenched QCD with the overlap Dirac operator. We work with the Wilson gauge action at {beta} = 6 on an 18{sup 3} x 64 lattice. We calculate quark propagators for a single source point and quark mass ranging from am{sub 4} = 0.03 to 0.75. We present here preliminary results based on the propagators for 60 gauge field configurations.

  4. Spin tracking simulations in AGS based on ray-tracing methods - bare lattice, no snakes -

    SciTech Connect

    Meot, F.; Ahrens, L.; Gleen, J.; Huang, H.; Luccio, A.; MacKay, W. W.; Roser, T.; Tsoupas, N.

    2009-09-01

    This Note reports on the first simulations of and spin dynamics in the AGS using the ray-tracing code Zgoubi. It includes lattice analysis, comparisons with MAD, DA tracking, numerical calculation of depolarizing resonance strengths and comparisons with analytical models, etc. It also includes details on the setting-up of Zgoubi input data files and on the various numerical methods of concern in and available from Zgoubi. Simulations of crossing and neighboring of spin resonances in AGS ring, bare lattice, without snake, have been performed, in order to assess the capabilities of Zgoubi in that matter, and are reported here. This yields a rather long document. The two main reasons for that are, on the one hand the desire of an extended investigation of the energy span, and on the other hand a thorough comparison of Zgoubi results with analytical models as the 'thin lens' approximation, the weak resonance approximation, and the static case. Section 2 details the working hypothesis : AGS lattice data, formulae used for deriving various resonance related quantities from the ray-tracing based 'numerical experiments', etc. Section 3 gives inventories of the intrinsic and imperfection resonances together with, in a number of cases, the strengths derived from the ray-tracing. Section 4 gives the details of the numerical simulations of resonance crossing, including behavior of various quantities (closed orbit, synchrotron motion, etc.) aimed at controlling that the conditions of particle and spin motions are correct. In a similar manner Section 5 gives the details of the numerical simulations of spin motion in the static case: fixed energy in the neighboring of the resonance. In Section 6, weak resonances are explored, Zgoubi results are compared with the Fresnel integrals model. Section 7 shows the computation of the {rvec n} vector in the AGS lattice and tuning considered. Many details on the numerical conditions as data files etc. are given in the Appendix Section

  5. Towards the petaflop for Lattice QCD simulations the PetaQCD project

    NASA Astrophysics Data System (ADS)

    Anglès d'Auriac, Jean-Christian; Barthou, Denis; Becirevic, Damir; Bilhaut, René; Bodin, François; Boucaud, Philippe; Brand-Foissac, Olivier; Carbonell, Jaume; Eisenbeis, Christine; Gallard, Pascal; Grosdidier, Gilbert; Guichon, Pierre; Honoré, Pierre-François; Le Meur, Guy; Pène, Olivier; Rilling, Louis; Roudeau, Patrick; Seznec, André; Stocchi, Achille; Touze, François

    2010-04-01

    The study and design of a very ambitious petaflop cluster exclusively dedicated to Lattice QCD simulations started in early '08 among a consortium of 7 laboratories (IN2P3, CNRS, INRIA, CEA) and 2 SMEs. This consortium received a grant from the French ANR agency in July '08, and the PetaQCD project kickoff took place in January '09. Building upon several years of fruitful collaborative studies in this area, the aim of this project is to demonstrate that the simulation of a 256 x 1283 lattice can be achieved through the HMC/ETMC software, using a machine with efficient speed/cost/reliability/power consumption ratios. It is expected that this machine can be built out of a rather limited number of processors (e.g. between 1000 and 4000), although capable of a sustained petaflop CPU performance. The proof-of-concept should be a mock-up cluster built as much as possible with off-the-shelf components, and 2 particularly attractive axis will be mainly investigated, in addition to fast all-purpose multi-core processors: the use of the new brand of IBM-Cell processors (with on-chip accelerators) and the very recent Nvidia GP-GPUs (off-chip co-processors). This cluster will obviously be massively parallel, and heterogeneous. Communication issues between processors, implied by the Physics of the simulation and the lattice partitioning, will certainly be a major key to the project.

  6. Pair interaction lattice gas simulations: Flow past obstacles in two and three dimensions

    SciTech Connect

    Vogeler, A.; Wolf-Gladrow, D.A. )

    1993-04-01

    Apart from the FCHC (face-centered hypercube), Nasilowski's pair interaction lattice gas (PI) is the only known lattice gas automaton for three-dimensional hydrodynamic simulations. Unfortunately, the viscosity of PI is not isotropic. In order to determine the degree anisotropy, the authors derive fluid dynamic equations for the regime of compressible viscid flow. From relaxation measurements of waves propagating in various directions they compute the physically relevant dissipation coefficients and compare their results with theoretical predictions. Although PI shows a high degree of anisotropy, they define the mean value of the dissipation tensor as effective shear viscosity. Using this value of v[sub eff][sup 2D] = 0.35, two-dimensional simulations of flow past a cylinder yield drag coefficients in quantitative agreement with wind tunnel measurements over a range of Reynolds numbers of 5-50. Three-dimensional simulations of flow past a sphere yield qualitative agreement with various references. A fit of the results to a semi-empirical curve provides an effective value of v[sub eff][sup 2D] = 0.21 for a range of Reynolds numbers from 0.19 to 40. In order to check for finite-size effects, the authors measured the mean free path [lambda] and computed the Knudsen numbers. They obtained [lambda] [approx]1 lattice unit, corresponding to Kn = 0.01 (2D) and Kn = 0.1 (3D). They found no significant finite-size effects. 44 refs., 10 figs.

  7. Simulations of magnetic reversal in continuously distorted artificial spin ice lattices

    NASA Astrophysics Data System (ADS)

    Farmer, Barry; Bhat, Vinayak; Woods, Justin; Hastings, J. Todd; de Long, Lance

    2014-03-01

    Artificial spin ice (ASI) systems consist of lithographically patterned ferromagnetic segments that behave as Ising spins. The honeycomb lattice is an ASI analogue of the Kagomé spin ice lattice found in bulk pyrochlore crystals. We have developed a method to continuously distort the honeycomb lattice such that the pattern vertex spacings follow a Fibonacci chain sequence. The distortions break the rotational symmetry of the honeycomb lattice and alter the segment orientations and lengths such that all vertices retain three-fold coordination, but are no longer equivalent. We have performed micromagnetic simulations (OOMMF) of magnetization reversal for many samples having different strengths of distortion, and found the kinetics of magnetic reversal to be dramatically slowed, and avalanches (sequential switching of neighboring segments) shortened by only small deviations from perfect honeycomb symmetry. The coercivity increases as the distortion is strengthened, which is consistent with the retarded reversal. Research supported by U.S. DoE Grant DE-FG02-97ER45653 and NSF Grant EPS-0814194.

  8. Lattice-Boltzmann method for the simulation of multiphase mass transfer and reaction of dilute species

    NASA Astrophysics Data System (ADS)

    Riaud, Antoine; Zhao, Shufang; Wang, Kai; Cheng, Yi; Luo, Guangsheng

    2014-05-01

    Despite the popularity of the lattice-Boltzmann method (LBM) in simulating multiphase flows, a general approach for modeling dilute species in multiphase systems is still missing. In this report we propose to modify the collision operator of the solute by introducing a modified redistribution scheme. This operator is based on local fluid variables and keeps the parallelism inherent to LBM. After deriving macroscopic transport equations, an analytical equation of state of the solute is exhibited and the method is proven constituting a unified framework to simulate arbitrary solute distribution between phases, including single-phase soluble compounds, amphiphilic species with a partition coefficient, and surface-adsorbed compounds.

  9. Lattice Boltzmann Simulations of Blood Flow: Non-Newtonian Rheology and Clotting Processes

    NASA Astrophysics Data System (ADS)

    Ouared, Rafik; Chopard, Bastien

    2005-10-01

    The numerical simulation of thrombosis in stented aneurysms is an important issue to estimate the efficiency of a stent. In this paper, we consider a Lattice Boltzmann (LB) approach to bloodflow modeling and we implement a non-Newtonian correction in order to reproduce more realistic flow profiles. We obtain a good agreement between simulations and Casson's model of blood rheology in a simple geometry. Finally we discuss how, by using a passive scalar suspension model with aggregation on top of the LB dynamics, we can describe the clotting processes in the aneurysm

  10. Lattice-Boltzmann simulation of laser interaction with weakly ionized helium plasmas

    SciTech Connect

    Li Huayu; Ki, Hyungson

    2010-07-15

    This paper presents a lattice Boltzmann method for laser interaction with weakly ionized plasmas considering electron impact ionization and three-body recombination. To simulate with physical properties of plasmas, the authors' previous work on the rescaling of variables is employed and the electromagnetic fields are calculated from the Maxwell equations by using the finite-difference time-domain method. To calculate temperature fields, energy equations are derived separately from the Boltzmann equations. In this way, we attempt to solve the full governing equations for plasma dynamics. With the developed model, the continuous-wave CO{sub 2} laser interaction with helium is simulated successfully.

  11. Lattice Boltzmann simulations of a strongly interacting two-dimensional Fermi gas

    NASA Astrophysics Data System (ADS)

    Brewer, Jasmine; Mendoza, Miller; Young, Ryan E.; Romatschke, Paul

    2016-01-01

    We present fully nonlinear dissipative fluid dynamics simulations of a strongly interacting trapped two-dimensional Fermi gas using a lattice Boltzmann algorithm. We are able to simulate nonharmonic trapping potentials, temperature-dependent viscosities, as well as a discretized version of the ballistic (noninteracting) behavior. Our approach lends itself to direct comparison with experimental data, opening up the possibility of a precision determination of transport coefficients in the strongly interacting Fermi gas. Furthermore, we predict the presence of a strongly damped ("nonhydrodynamic") component in the quadrupole mode, which should be observable experimentally.

  12. Effect of Rolling Massage on the Vortex Flow in Blood Vessels with Lattice Boltzmann Simulation

    NASA Astrophysics Data System (ADS)

    Yi, Hou Hui

    The rolling massage manipulation is a classic Chinese Medical Massage, which is a nature therapy in eliminating many diseases. Here, the effect of the rolling massage on the cavity flows in blood vessel under the rolling manipulation is studied by the lattice Boltzmann simulation. The simulation results show that the vortex flows are fully disturbed by the rolling massage. The flow behavior depends on the rolling velocity and the rolling depth. Rolling massage has a better effect on the flows in the cavity than that of the flows in a planar blood vessel. The result is helpful to understand the mechanism of the massage and develop the rolling techniques.

  13. Numerical simulation of polarization beam splitter with triangular lattice of multi-walled carbon nanotube arrays

    NASA Astrophysics Data System (ADS)

    Wu, Xingxing; Yun, Maojin; Wang, Mei; Liu, Chao; Li, Kai; Qin, Xiheng; Kong, Weijin; Dong, Lifeng

    2015-12-01

    A kind of polarization beam splitter with triangular lattice of multi-walled carbon nanotube arrays is designed and simulated. In the employed structure transverse-electric (TE) light is confined in the line defect with photonic band gap effect, while transverse-magnetic (TM) light is guided through it with extremely low diffraction. The performance of the designed polarization beam splitter is evaluated by utilizing optical properties of multi-walled carbon nanotubes, finite element modeling of wave propagation and transmission through periodic arrays. Simulation results indicate that the designed polarization beam splitter has low loss and less cross talk, and thereby may have practical applications in the integrated optical field.

  14. Lattice-Boltzmann method for the simulation of multiphase mass transfer and reaction of dilute species.

    PubMed

    Riaud, Antoine; Zhao, Shufang; Wang, Kai; Cheng, Yi; Luo, Guangsheng

    2014-05-01

    Despite the popularity of the lattice-Boltzmann method (LBM) in simulating multiphase flows, a general approach for modeling dilute species in multiphase systems is still missing. In this report we propose to modify the collision operator of the solute by introducing a modified redistribution scheme. This operator is based on local fluid variables and keeps the parallelism inherent to LBM. After deriving macroscopic transport equations, an analytical equation of state of the solute is exhibited and the method is proven constituting a unified framework to simulate arbitrary solute distribution between phases, including single-phase soluble compounds, amphiphilic species with a partition coefficient, and surface-adsorbed compounds. PMID:25353915

  15. New lattice Boltzmann method for the simulation of three-dimensional radiation transfer in turbid media.

    PubMed

    McHardy, Christopher; Horneber, Tobias; Rauh, Cornelia

    2016-07-25

    Based on the kinetic theory of photons, a new lattice Boltzmann method for the simulation of 3D radiation transport is presented. The method was successfully validated with Monte Carlo simulations of radiation transport in optical thick absorbing and non-absorbing turbid media containing either isotropic or anisotropic scatterers. Moreover, for the approximation of Mie-scattering, a new iterative algebraic approach for the discretization of the scattering phase function was developed, ensuring full conservation of energy and asymmetry after discretization. It was found that the main error sources of the method are caused by linearization and ray effects and suggestions for further improvement of the method are made. PMID:27464152

  16. A comparison of lattice-Boltzmann and Brownian dynamics simulations of dilute polymer solutions

    NASA Astrophysics Data System (ADS)

    Ladd, Tony; Kekre, Rahul; Butler, Jason

    2008-11-01

    We have compared lattice-Boltzmann and Brownian dynamics simulations of a single flexible polymer, in isolation and in confined geometries. In the case of the isolated chain we find agreement to within 1% in the diffusion coefficient and the Rouse mode relaxation times. We have obtained good agreement for the concentration profiles in a bounded shear flow, but the Brownian dynamics simulations currently use a superposition of the hydrodynamic fields generated by the walls. We expect to know the effects of the inter-wall correction by the time of the meeting. We have gone to some lengths to match the conditions of both simulations as closely as possible. We use identical potential parameters and correct for the differences between the periodic boundaries used in the LB simulations and the unbounded domains used in the BD simulations. We use very long runs, of the order of 10000 times the longest relaxation time, to reduce the statistical uncertainties to less than 0.1%. We find excellent agreement in the relaxation times over a wide range of temperatures and fluid viscosity. The most quantitative agreement is achieved in the weak coupling limit, where the hydrodynamic radius of the monomers is less than one quarter of the lattice spacing.

  17. Quantum effects in a free-standing graphene lattice: Path-integral against classical Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Brito, B. G. A.; Cândido, Ladir; Hai, G.-Q.; Peeters, F. M.

    2015-11-01

    In order to study quantum effects in a two-dimensional crystal lattice of a free-standing monolayer graphene, we have performed both path-integral Monte Carlo (PIMC) and classical Monte Carlo (MC) simulations for temperatures up to 2000 K. The REBO potential is used for the interatomic interaction. The total energy, interatomic distance, root-mean-square displacement of the atom vibrations, and the free energy of the graphene layer are calculated. The obtained lattice vibrational energy per atom from the classical MC simulation is very close to the energy of a three-dimensional harmonic oscillator 3 kBT . The PIMC simulation shows that quantum effects due to zero-point vibrations are significant for temperatures T <1000 K. The quantum contribution to the lattice vibrational energy becomes larger than that of the classical lattice for T <400 K. The lattice expansion due to the zero-point motion causes an increase of 0.53% in the lattice parameter. A minimum in the lattice parameter appears at T ≃500 K. Quantum effects on the atomic vibration amplitude of the graphene lattice and its free energy are investigated.

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

    PubMed

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

    2013-05-20

    The interaction of a two-level atom with a single-mode quantized field is one of the simplest models in quantum optics. Under the rotating wave approximation, it is known as the Jaynes-Cummings model and without it as the Rabi model. Real-world realizations of the Jaynes-Cummings model include cavity, ion trap and circuit quantum electrodynamics. The Rabi model can be realized in circuit quantum electrodynamics. As soon as nonlinear couplings are introduced, feasible experimental realizations in quantum systems are drastically reduced. We propose a set of two photonic lattices that classically simulates the interaction of a single two-level system with a quantized field under field nonlinearities and nonlinear couplings as long as the quantum optics model conserves parity. We describe how to reconstruct the mean value of quantum optics measurements, such as photon number and atomic energy excitation, from the intensity and from the field, such as von Neumann entropy and fidelity, at the output of the photonic lattices. We discuss how typical initial states involving coherent or displaced Fock fields can be engineered from recently discussed Glauber-Fock lattices. As an example, the Buck-Sukumar model, where the coupling depends on the intensity of the field, is classically simulated for separable and entangled initial states. PMID:23736508

  19. Lattice Boltzmann simulation of flow around two, three and four circular cylinders in close proximity

    NASA Astrophysics Data System (ADS)

    Kang, XiuYing; Su, YanPing

    2012-10-01

    Cross-flows around two, three and four circular cylinders in tandem, side-by-side, isosceles triangle and square arrangements are simulated using the incompressible lattice Boltzmann method with a second-order accurate curved boundary condition at Reynolds number 200 and the cylinder center-to-center transverse or/and longitudinal spacing 1.5 D, where D is the identical circular cylinder diameter. The wake patterns, pressure and force distributions on the cylinders and mechanism of flow dynamics are investigated and compared among the four cases. The results also show that flows around the three or four cylinders significantly differ from those of the two cylinders in the tandem and side-by-side arrangements although there are some common features among the four cases due to their similarity of structures, which are interesting, complex and useful for practical applications. This study provides a useful database to validate the simplicity, accuracy and robustness of the Lattice Boltzmann method.

  20. Optimal surface-electrode trap lattices for quantum simulation with trapped ions.

    PubMed

    Schmied, Roman; Wesenberg, Janus H; Leibfried, Dietrich

    2009-06-12

    Trapped ions offer long internal state (spin) coherence times and strong interparticle interactions mediated by the Coulomb force. This makes them interesting candidates for quantum simulation of coupled lattices. To this end, it is desirable to be able to trap ions in arbitrary conformations with precisely controlled local potentials. We provide a general method for optimizing periodic planar radio-frequency electrodes for generating ion trapping potentials with specified trap locations and curvatures above the electrode plane. A linear-programming algorithm guarantees globally optimal electrode shapes that require only a single radio-frequency voltage source for operation. The optimization method produces final electrode shapes that are smooth and exhibit low fragmentation. Such characteristics are desirable for practical fabrication of surface-electrode trap lattices. PMID:19658931

  1. Confinement and Lattice Quantum-Electrodynamic Electric Flux Tubes Simulated with Ultracold Atoms

    SciTech Connect

    Zohar, Erez; Reznik, Benni

    2011-12-30

    We propose a method for simulating (2+1)D compact lattice quantum-electrodynamics, using ultracold atoms in optical lattices. In our model local Bose-Einstein condensates' (BECs) phases correspond to the electromagnetic vector potential, and the local number operators represent the conjugate electric field. The well-known gauge-invariant Kogut-Susskind Hamiltonian is obtained as an effective low-energy theory. The field is then coupled to external static charges. We show that in the strong coupling limit this gives rise to ''electric flux tubes'' and to confinement. This can be observed by measuring the local density deviations of the BECs, and is expected to hold even, to some extent, outside the perturbative calculable regime.

  2. Unstructured Lattice Boltzmann methods for efficient simulation of flow in complex porous media

    NASA Astrophysics Data System (ADS)

    Mathiesen, Joachim; Mitsztal, Marek; Matin, Rastin; Hernandez, Anier

    2015-04-01

    The flow permeability of porous rock is the critical control parameter for a number of natural processes in the upper crust. On the pore scale, fluid dynamic simulations are efficient and accurate for determining the flow permeability, while on larger scales where multiple pores are connected in complex networks, the simulations quickly become computationally infeasible. In contrast to flow in open space, porous flow is determined predominantly by the pore geometry. One limiting factor in the computations is the geometrical representation of the pore space. For example, the lattice Boltzmann method, which is often used in direct numerical simulations of flow, is usually implemented using regular cubic grids. Irregular grids, however, allow for a more efficient geometrical representation of space limited by complex boundaries. Here we briefly go through some of the recent advances and advantages of the lattice Boltzmann method on unstructured grids. We briefly discuss basic numerical implementations on the unstructured grids. We show simulations and permeability estimates of flow in real samples of the pore space of chalk.

  3. Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids.

    PubMed

    Horbach, J; Frenkel, D

    2001-12-01

    We present a simulation scheme based on the lattice-Boltzmann method to simulate the dynamics of charged colloids in an electrolyte. In our model we describe the electrostatics on the level of a Poisson-Boltzmann equation and the hydrodynamics of the fluid by the linearized Navier-Stokes equations. We verify our simulation scheme by means of a Chapman-Enskog expansion. Our method is applied to the calculation of the reduced sedimentation velocity U/U(0) for a cubic array of charged spheres in an electrolyte. We show that we recover the analytical solution first derived by Booth [F. Booth, J. Chem. Phys. 22, 1956 (1954)] for a weakly charged, isolated sphere in an unbounded electrolyte. The present method makes it possible to go beyond the Booth theory, and we discuss the dependence of the sedimentation velocity on the charge of the spheres. Finally we compare our results to experimental data. PMID:11736191

  4. Lattice models for large-scale simulations of coherent wave scattering.

    PubMed

    Wang, Shumin; Teixeira, Fernando L

    2004-01-01

    Lattice approximations for partial differential equations describing physical phenomena are commonly used for the numerical simulation of many problems otherwise intractable by pure analytical approaches. The discretization inevitably leads to many of the original symmetries to be broken or modified. In the case of Maxwell's equations for example, invariance and isotropy of the speed of light in vacuum is invariably lost because of the so-called grid dispersion. Since it is a cumulative effect, grid dispersion is particularly harmful for the accuracy of results of large-scale simulations of scattering problems. Grid dispersion is usually combated by either increasing the lattice resolution or by employing higher-order schemes with larger stencils for the space and time derivatives. Both alternatives lead to increased computational cost to simulate a problem of a given physical size. Here, we introduce a general approach to develop lattice approximations with reduced grid dispersion error for a given stencil (and hence at no additional computational cost). The present approach is based on first obtaining stencil coefficients in the Fourier domain that minimize the maximum grid dispersion error for wave propagation at all directions (minimax sense). The resulting coefficients are then expanded into a Taylor series in terms of the frequency variable and incorporated into time-domain (update) equations after an inverse Fourier transformation. Maximally flat (Butterworth) or Chebyshev filters are subsequently used to minimize the wave speed variations for a given frequency range of interest. The use of such filters also allows for the adjustment of the grid dispersion characteristics so as to minimize not only the local dispersion error but also the accumulated phase error in a frequency range of interest. PMID:14995749

  5. Lattice models for large-scale simulations of coherent wave scattering

    NASA Astrophysics Data System (ADS)

    Wang, Shumin; Teixeira, Fernando L.

    2004-01-01

    Lattice approximations for partial differential equations describing physical phenomena are commonly used for the numerical simulation of many problems otherwise intractable by pure analytical approaches. The discretization inevitably leads to many of the original symmetries to be broken or modified. In the case of Maxwell’s equations for example, invariance and isotropy of the speed of light in vacuum is invariably lost because of the so-called grid dispersion. Since it is a cumulative effect, grid dispersion is particularly harmful for the accuracy of results of large-scale simulations of scattering problems. Grid dispersion is usually combated by either increasing the lattice resolution or by employing higher-order schemes with larger stencils for the space and time derivatives. Both alternatives lead to increased computational cost to simulate a problem of a given physical size. Here, we introduce a general approach to develop lattice approximations with reduced grid dispersion error for a given stencil (and hence at no additional computational cost). The present approach is based on first obtaining stencil coefficients in the Fourier domain that minimize the maximum grid dispersion error for wave propagation at all directions (minimax sense). The resulting coefficients are then expanded into a Taylor series in terms of the frequency variable and incorporated into time-domain (update) equations after an inverse Fourier transformation. Maximally flat (Butterworth) or Chebyshev filters are subsequently used to minimize the wave speed variations for a given frequency range of interest. The use of such filters also allows for the adjustment of the grid dispersion characteristics so as to minimize not only the local dispersion error but also the accumulated phase error in a frequency range of interest.

  6. Quantum simulation of a topological Mott insulator with Rydberg atoms in a Lieb lattice

    NASA Astrophysics Data System (ADS)

    Dauphin, A.; Müller, M.; Martin-Delgado, M. A.

    2016-04-01

    We propose a realistic scheme to quantum simulate the so-far experimentally unobserved topological Mott insulator phase—an interaction-driven topological insulator—using cold atoms in an optical Lieb lattice. To this end, we study a system of spinless fermions in a Lieb lattice, exhibiting repulsive nearest- and next-to-nearest-neighbor interactions and derive the associated zero-temperature phase diagram within mean-field approximation. In particular, we analyze how the interactions can dynamically generate a charge density wave ordered, a nematic, and a topologically nontrivial quantum anomalous Hall phase. We characterize the topology of the different phases by the Chern number and discuss the possibility of phase coexistence. Based on the identified phases, we propose a realistic implementation of this model using cold Rydberg-dressed atoms in an optical lattice. The scheme, which allows one to access, in particular, the topological Mott insulator phase, robustly and independently of its exact position in parameter space, merely requires global, always-on off-resonant laser coupling to Rydberg states and is feasible with state-of-the-art experimental techniques that have already been demonstrated in the laboratory.

  7. Circuit quantum electrodynamics simulator of flat band physics in a Lieb lattice

    NASA Astrophysics Data System (ADS)

    Yang, Zi-He; Wang, Yan-Pu; Xue, Zheng-Yuan; Yang, Wan-Li; Hu, Yong; Gao, Jin-Hua; Wu, Ying

    2016-06-01

    The concept of flat band plays an important role in strongly correlated many-body physics. However, the demonstration of the flat band physics is highly nontrivial due to intrinsic limitations in conventional condensed-matter materials. Here we propose a circuit quantum electrodynamics simulator of the two-dimensional (2D) Lieb lattice exhibiting a flat middle band. By exploiting the parametric conversion method, we design a photonic Lieb lattice with in situ tunable hopping strengths in a 2D array of coupled superconducting transmissionline resonators. Moreover, the flexibility of our proposal enables the incorporation of both the artificial gauge field and the strong photon-photon interaction in a time- and site-resolved manner. To unambiguously demonstrate the synthesized flat band, we further investigate the observation of the flat band localization of microwave photons through the pumping and the steady-state measurements of only a few sites on the lattice. Requiring only current level of technique and being robust against imperfections in realistic circuits, our scheme can be readily tested in experiment and may pave a new way towards the realization of exotic photonic quantum Hall fluids including anomalous quantum Hall effect and bosonic fractional quantum Hall effect without magnetic field.

  8. Lattice based Kinetic Monte Carlo Simulations of a complex chemical reaction network

    NASA Astrophysics Data System (ADS)

    Danielson, Thomas; Savara, Aditya; Hin, Celine

    Lattice Kinetic Monte Carlo (KMC) simulations offer a powerful alternative to using ordinary differential equations for the simulation of complex chemical reaction networks. Lattice KMC provides the ability to account for local spatial configurations of species in the reaction network, resulting in a more detailed description of the reaction pathway. In KMC simulations with a large number of reactions, the range of transition probabilities can span many orders of magnitude, creating subsets of processes that occur more frequently or more rarely. Consequently, processes that have a high probability of occurring may be selected repeatedly without actually progressing the system (i.e. the forward and reverse process for the same reaction). In order to avoid the repeated occurrence of fast frivolous processes, it is necessary to throttle the transition probabilities in such a way that avoids altering the overall selectivity. Likewise, as the reaction progresses, new frequently occurring species and reactions may be introduced, making a dynamic throttling algorithm a necessity. We present a dynamic steady-state detection scheme with the goal of accurately throttling rate constants in order to optimize the KMC run time without compromising the selectivity of the reaction network. The algorithm has been applied to a large catalytic chemical reaction network, specifically that of methanol oxidative dehydrogenation, as well as additional pathways on CeO2(111) resulting in formaldehyde, CO, methanol, CO2, H2 and H2O as gas products.

  9. Steady-state hydrodynamic instabilities of active liquid crystals: hybrid lattice Boltzmann simulations.

    PubMed

    Marenduzzo, D; Orlandini, E; Cates, M E; Yeomans, J M

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently "extensile" rods, in the case of flow-aligning liquid crystals, and for sufficiently "contractile" ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of "convection rolls." These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics. PMID:17930285

  10. Numerical homogenization of electrokinetic equations in porous media using lattice-Boltzmann simulations.

    PubMed

    Obliger, Amaël; Duvail, Magali; Jardat, Marie; Coelho, Daniel; Békri, Samir; Rotenberg, Benjamin

    2013-07-01

    We report the calculation of all the transfer coefficients which couple the solvent and ionic fluxes through a charged pore under the effect of pressure, electrostatic potential, and concentration gradients. We use a combination of analytical calculations at the Poisson-Nernst-Planck and Navier-Stokes levels of description and mesoscopic lattice simulations based on kinetic theory. In the absence of added salt, i.e., when the only ions present in the fluid are the counterions compensating the charge of the surface, exact analytical expressions for the fluxes in cylindrical pores allow us to validate a new lattice-Boltzmann electrokinetics (LBE) scheme which accounts for the osmotic contribution to the transport of all species. The influence of simulation parameters on the numerical accuracy is thoroughly investigated. In the presence of an added salt, we assess the range of validity of approximate expressions of the fluxes computed from the linearized Poisson-Boltzmann equation by a systematic comparison with LBE simulations. PMID:23944561

  11. Phase-field-based lattice Boltzmann finite-difference model for simulating thermocapillary flows.

    PubMed

    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

  12. Steady-state hydrodynamic instabilities of active liquid crystals: Hybrid lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Marenduzzo, D.; Orlandini, E.; Cates, M. E.; Yeomans, J. M.

    2007-09-01

    We report hybrid lattice Boltzmann (HLB) simulations of the hydrodynamics of an active nematic liquid crystal sandwiched between confining walls with various anchoring conditions. We confirm the existence of a transition between a passive phase and an active phase, in which there is spontaneous flow in the steady state. This transition is attained for sufficiently “extensile” rods, in the case of flow-aligning liquid crystals, and for sufficiently “contractile” ones for flow-tumbling materials. In a quasi-one-dimensional geometry, deep in the active phase of flow-aligning materials, our simulations give evidence of hysteresis and history-dependent steady states, as well as of spontaneous banded flow. Flow-tumbling materials, in contrast, rearrange themselves so that only the two boundary layers flow in steady state. Two-dimensional simulations, with periodic boundary conditions, show additional instabilities, with the spontaneous flow appearing as patterns made up of “convection rolls.” These results demonstrate a remarkable richness (including dependence on anchoring conditions) in the steady-state phase behavior of active materials, even in the absence of external forcing; they have no counterpart for passive nematics. Our HLB methodology, which combines lattice Boltzmann for momentum transport with a finite difference scheme for the order parameter dynamics, offers a robust and efficient method for probing the complex hydrodynamic behavior of active nematics.

  13. Lattice Boltzmann simulation and direct observation of pore fluid flow around irregularly shaped grains

    NASA Astrophysics Data System (ADS)

    Saomoto, H.; Kase, Y.; Matsushima, T.; Yamada, Y.

    2012-12-01

    An accurate velocity model of porous flow plays an important role in the prediction of the ground water pollution.To clarify the behavior of porous flow passing through irregularly shaped grains, we have been performed CFD simulation and direct observation based on the Lattice Boltzmann Method and the LAT-PIV visuallization technique respectively. The Lattice Boltzmann simulator, which works on a graphics processing unit(GPU), is employed to evaluate the pore fluid velocity distribution in an accurate three dimensional digital model involving Toyoura sand. From the simulation results, the pore fluid velocity distributions converge into a unique non-gaussian distribution under various Reynolds numbers ranging from 2 to 10. The features of the non-gaussian distribution are summarized as follows: (1)It has a long tail until sextuple of the mean velocity magnitude. (2)It has a peak frequency close to zero velocity magnitude. (3)It slightly contains negative velocities. The LAT-PIV visuallization technique, a kind of laser slicing visualization method combined LAT(Laser-Aided Tomography) and PIV (Particle Image Velocimetry), visualizes both grain edges and pore fluid behavior inside specimen which is composed of crashed glass grains and specially blended silicone oil. The pore fluid velocity distributions captured by the LAT-PIV images indicate a similar tendency compared with those measured by the LBM simulations. This supports that the LBM simulation has sufficient ability to predict the pore fluid flow even if the porous medium is composed of irregularly shaped grains. GPU accelerated LBM simulation for Toyoura sand model Pore fluid velocity magnitude distributions for several Reynolds numbers

  14. O(a{sup 2}) cutoff effects in lattice Wilson fermion simulations

    SciTech Connect

    Dimopoulos, P.; Frezzotti, R.; Rossi, G. C.; Michael, C.; Urbach, C.

    2010-02-01

    In this paper we propose to interpret the large discretization artifacts affecting the neutral pion mass in maximally twisted lattice QCD simulations as O(a{sup 2}) effects, whose magnitude is roughly proportional to the modulus square of the (continuum) matrix element of the pseudoscalar density operator between vacuum and one-pion state. The numerical size of this quantity is determined by the dynamical mechanism of spontaneous chiral symmetry breaking and turns out to be substantially larger than its natural magnitude set by the value of {Lambda}{sub QCD}.

  15. Monte Carlo simulation of two-dimensional flux-line-lattice melting

    SciTech Connect

    Kato, Y.; Nagaosa, N. )

    1993-09-01

    A Monte Carlo simulation of a two-dimensional flux-line-lattice (FLL) melting transition is presented. The internal energy, specific heat, Abrikosov ratio, and diffraction pattern of the magnitude [vert bar][psi]([ital x])[vert bar][sup 2] of the order-parameter field are calculated. By examining in detail the hysteresis, histogram, and relaxation profiles of the internal energy, the existence of a first-order phase transition is concluded. Below the transition temperature [ital t][sub [ital m

  16. Monte Carlo simulation of flux lattice melting in a model high- T sub c superconductor

    SciTech Connect

    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.

  17. Simulation of residual oil displacement in a sinusoidal channel with the lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Otomo, Hiroshi; Fan, Hongli; Hazlett, Randy; Li, Yong; Staroselsky, Ilya; Zhang, Raoyang; Chen, Hudong

    2015-10-01

    We simulate oil slug displacement in a sinusoidal channel in order to validate computational models and algorithms for multi-component flow. This case fits in the gap between fully realistic cases characterized by complicated geometry and academic cases with simplistic geometry. Our computational model is based on the lattice Boltzmann method and allows for variation of physical parameters such as wettability and viscosity. The effect of variation of model parameters is analyzed, in particular via comparison with analytical solutions. We discuss the requirements for accurate solution of the oil slug displacement problem.

  18. Physical and computational scaling issues in lattice Boltzmann simulations of binary fluid mixtures.

    PubMed

    Cates, M E; Desplat, J-C; Stansell, P; Wagner, A J; Stratford, K; Adhikari, R; Pagonabarraga, I

    2005-08-15

    We describe some scaling issues that arise when using lattice Boltzmann (LB) methods to simulate binary fluid mixtures--both in the presence and absence of colloidal particles. Two types of scaling problem arise: physical and computational. Physical scaling concerns how to relate simulation parameters to those of the real world. To do this effectively requires careful physics, because (in common with other methods) LB cannot fully resolve the hierarchy of length, energy and time-scales that arise in typical flows of complex fluids. Care is needed in deciding what physics to resolve and what to leave unresolved, particularly when colloidal particles are present in one or both of two fluid phases. This influences steering of simulation parameters such as fluid viscosity and interfacial tension. When the physics is anisotropic (for example, in systems under shear) careful adaptation of the geometry of the simulation box may be needed; an example of this, relating to our study of the effect of colloidal particles on the Rayleigh-Plateau instability of a fluid cylinder, is described. The second and closely related set of scaling issues are computational in nature: how do you scale-up simulations to very large lattice sizes? The problem is acute for systems undergoing shear flow. Here one requires a set of blockwise co-moving frames to the fluid, each connected to the next by a Lees-Edwards like boundary condition. These matching planes lead to small numerical errors whose cumulative effects can become severe; strategies for minimizing such effects are discussed. PMID:16099757

  19. Lattice gas hydrodynamics of one and two-phase fluids in two and three dimensions: Theory and simulation

    SciTech Connect

    Diemer, K.L.

    1992-01-01

    Lattice gas automata models for hydrodynamics offer a method for simulating fluids in between the standard molecular dynamic models and finite difference schemes. The algorithm is especially suited to low Mach number flow around complex boundaries and can be implemented in a fully parallelizable, memory efficient manner using only boolean operations. The simplest lattice gas automata is reviewed. The modification of the standard Chapmann-Enskog expansion lattice gas case is reviewed. In the long wavelength and long time limit, the incompressible Navier-Stokes equation is derived. Analytic calculations of shear viscosity [eta], mean free path [lambda], and a reduced Reynolds number R are presented for a number of 2D and 3D lattice gas models. Comparisons of lattice gas results with analytical predictions and other numerical methods are reviewed. This is followed by a discussion of the zero velocity limit used in deriving the above analytic results. Lattice gas hydrodynamic models for flows through porous media in two and three dimensions are described. The computational method easily handles arbitrary boundaries and a large range of Reynolds numbers. Darcy's law is confirmed for Poiseuille flow and for complicated boundary flows. Lattice gas simulation results for permeability for one geometry are compared with experimental results and found to agree to within 10%. Lattice gas hydrodynamic models for two dimensional binary fluids are described. The scaling of the correlation function during late stage growth is examined. The domain growth kinetics during this period is also explored and compared with the work of Furukawa. A local lattice gas model for binary fluids with an adjustable parameter [lambda] which allows degree of miscibility is introduced. For [lambda] < [lambda][sub c] the fluids are immiscible while for [lambda] > [lambda][sub c] the fluids are miscible. Theoretical and numerical studies on the diffusive properties of this lattice gas are presented.

  20. On-Lattice Simulation of T Cell Motility, Chemotaxis, and Trafficking in the Lymph Node Paracortex

    PubMed Central

    Bogle, Gib; Dunbar, P. Rod

    2012-01-01

    Agent-based simulation is a powerful method for investigating the complex interplay of the processes occurring in a lymph node during an adaptive immune response. We have previously established an agent-based modeling framework for the interactions between T cells and dendritic cells within the paracortex of lymph nodes. This model simulates in three dimensions the “random-walk” T cell motility observed in vivo, so that cells interact in space and time as they process signals and commit to action such as proliferation. On-lattice treatment of cell motility allows large numbers of densely packed cells to be simulated, so that the low frequency of T cells capable of responding to a single antigen can be dealt with realistically. In this paper we build on this model by incorporating new numerical methods to address the crucial processes of T cell ingress and egress, and chemotaxis, within the lymph node. These methods enable simulation of the dramatic expansion and contraction of the T cell population in the lymph node paracortex during an immune response. They also provide a novel probabilistic method to simulate chemotaxis that will be generally useful in simulating other biological processes in which chemotaxis is an important feature. PMID:23028887

  1. Quantitative study of fluctuation effects by fast lattice Monte Carlo simulations: Compression of grafted homopolymers

    SciTech Connect

    Zhang, Pengfei; Wang, Qiang

    2014-01-28

    Using fast lattice Monte Carlo (FLMC) simulations [Q. Wang, Soft Matter 5, 4564 (2009)] and the corresponding lattice self-consistent field (LSCF) calculations, we studied a model system of grafted homopolymers, in both the brush and mushroom regimes, in an explicit solvent compressed by an impenetrable surface. Direct comparisons between FLMC and LSCF results, both of which are based on the same Hamiltonian (thus without any parameter-fitting between them), unambiguously and quantitatively reveal the fluctuations/correlations neglected by the latter. We studied both the structure (including the canonical-ensemble averages of the height and the mean-square end-to-end distances of grafted polymers) and thermodynamics (including the ensemble-averaged reduced energy density and the related internal energy per chain, the differences in the Helmholtz free energy and entropy per chain from the uncompressed state, and the pressure due to compression) of the system. In particular, we generalized the method for calculating pressure in lattice Monte Carlo simulations proposed by Dickman [J. Chem. Phys. 87, 2246 (1987)], and combined it with the Wang-Landau–Optimized Ensemble sampling [S. Trebst, D. A. Huse, and M. Troyer, Phys. Rev. E 70, 046701 (2004)] to efficiently and accurately calculate the free energy difference and the pressure due to compression. While we mainly examined the effects of the degree of compression, the distance between the nearest-neighbor grafting points, the reduced number of chains grafted at each grafting point, and the system fluctuations/correlations in an athermal solvent, the θ-solvent is also considered in some cases.

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

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  3. Phase structure of two-color QCD at real and imaginary chemical potentials: Lattice simulations and model analyses

    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.

  4. Macropore Flow in Soil Columns: Investigations with Computer Tomography and Lattice Boltzmann Simulations

    NASA Astrophysics Data System (ADS)

    Schaap, M. G.; Tuller, M.; Guber, A.; Martin, M. A.; Martinez, F. S.; Pachepsky, Y.

    2007-12-01

    Soil structure greatly affects the ability of soil to transmit and to retain water, chemicals, and colloidal particles that can carry contaminants or be contaminants themselves, e.g. pathogenic microorganisms. No theory or empirical relationships have been developed to date to quantitatively relate parameters of soil structure and parameters of the contaminant transport in soils. The absence of theoretical advances in this area seriously hampers the ability to address issues of public concern, e.g. spread of contaminants introduced in the environment by agricultural activities. Recently, computer tomography of soils has become available to generate detailed images of soil pore space with high resolution and density. Successful applications of computer tomography in medical and material sciences show the great potential of this technique to create an exhaustive characterization of soil structure heterogeneity. In this presentation we investigate saturated flow through twelve undisturbed macroporous soil columns (7.62- cm sample diameter and 18-cm length) with lattice Boltzmann simulations. Saturated flow was measured for the complete columns, as well as on 2 cm sections for selected columns. Computed X-Ray tomography was performed on each of the columns, using the 420 kV X-ray source of a HYTEC FlashCT high-speed industrial CT scanner. The resolution was 116 microns per voxel, yielding a final tomography image of 656x656x1482 (~ 6.3 10E8) voxels. X-Ray CT observations typically provide "gray-scale" representations of the imaged object that must be segmented to yield discrete pore and particle geometry. Many segmentation algorithms are available, each yielding different final pore geometries thus potentially creating uncertainties in subsequent flow analyses. Lattice Boltzmann (LB) simulations will be presented only for some of the columns as the simulations are extremely computationally intensive (each simulation requires ~ 60 GB of computer RAM at the observed

  5. Pore-scale simulation of miscible displacement in porous media using the lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Xia, Ming

    2016-03-01

    A numerical model based on the lattice Boltzmann method is presented to investigate the viscous fingering phenomena of miscible displacement processes in porous media, which involves the fluid flow, heat transfer and mass transport. Especially, temperature- and concentration-dependent pore-fluid viscosity is considered. A complete list is derived and given for the conversion of relevant physical variables to lattice units to facilitate the understanding and implementation of the coupled problems involving fluid flow, heat transfer and mass transport using the LBM. To demonstrate the proposed model capacity, two different complex geometry microstructures using high resolution micro-computed tomography (micro-CT) images of core sample have been obtained and incorporated as computation geometries for modeling miscible displacement processes in porous media. The viscous fingering phenomena of miscible displacement processes are simulated in two different cases, namely in a channel and a porous medium respectively. Some influencing factors on the miscible displacement process, such as the pore-scale microstructure, Le number and Re number, are studied in great detail. The related simulation results have demonstrated that: (1) the existence of the pore-scale microstructure can have a significant effect on the front morphologies and front propagation speed in the miscible displacement process; (2) as the Le number increases, the fluid front and thermal front evolve differently, with the thermal front being less unstable due to more diffusion; (3) a larger Re number can lead to an increase in the propagation speed of the front.

  6. Lattice Boltzmann simulation of electrostatic double layer interaction force for nanoparticles

    NASA Astrophysics Data System (ADS)

    Shi, Grace X.; Jin, Yan; Lazouskaya, Volha; Wang, Chao; Wang, Lian-Ping

    2011-11-01

    Modeling the transport and retention of nanoparticles (NPs) through soil porous media requires an accurate description of the electrostatic interaction force between a nanoparticle and soil grain. In this study, we apply the lattice Boltzmann method to directly solve the nonlinear Poisson Boltzmann (PB) equation for several geometric configurations including plate-plate, NP-plate, and NP-NP interactions, for any surface potentials and interaction distances and for different boundary conditions. Interaction energy and force are then derived from the simulations. For the case of plate-plate interaction, the simulation results are compared to the exact solution of the nonlinear PB equation. It is shown that the linear PB solution is valid when the nondimensional surface potential is less than one, and that the linear PB solution over-predicts the interaction force for intermediate gap distances but under-predicts the force for small gap distances. For NP-plate and NP-NP interactions, an axisymmetric lattice Boltzmann formulation is developed to solve the governing equations. The results will be compared to the classic approximate expressions of interaction force to evaluate their validity and to study the effect of nanoparticle size. Work supported by NSF and USDA.

  7. Non-Newtonian particulate flow simulation: A direct-forcing immersed boundary-lattice Boltzmann approach

    NASA Astrophysics Data System (ADS)

    Amiri Delouei, A.; Nazari, M.; Kayhani, M. H.; Kang, S. K.; Succi, S.

    2016-04-01

    In the current study, a direct-forcing immersed boundary-non-Newtonian lattice Boltzmann method (IB-NLBM) is developed to investigate the sedimentation and interaction of particles in shear-thinning and shear-thickening fluids. In the proposed IB-NLBM, the non-linear mechanics of non-Newtonian particulate flows is detected by combination of the most desirable features of immersed boundary and lattice Boltzmann methods. The noticeable roles of non-Newtonian behavior on particle motion, settling velocity and generalized Reynolds number are investigated by simulating benchmark problem of one-particle sedimentation under the same generalized Archimedes number. The effects of extra force due to added accelerated mass are analyzed on the particle motion which have a significant impact on shear-thinning fluids. For the first time, the phenomena of interaction among the particles, such as Drafting, Kissing, and Tumbling in non-Newtonian fluids are investigated by simulation of two-particle sedimentation and twelve-particle sedimentation. The results show that increasing the shear-thickening behavior of fluid leads to a significant increase in the kissing time. Moreover, the transverse position of particles for shear-thinning fluids during the tumbling interval is different from Newtonian and the shear-thickening fluids. The present non-Newtonian particulate study can be applied in several industrial and scientific applications, like the non-Newtonian sedimentation behavior of particles in food industrial and biological fluids.

  8. Simulation of three-component fluid flows using the multiphase lattice Boltzmann flux solver

    NASA Astrophysics Data System (ADS)

    Shi, Y.; Tang, G. H.; Wang, Y.

    2016-06-01

    In this work, we extend the multiphase lattice Boltzmann flux solver, which was proposed in [1] for simulating incompressible flows of binary fluids based on two-component Cahn-Hilliard model, to three-component fluid flows. In the present method, the multiphase lattice Boltzmann flux solver is applied to solve for the flow field and the three-component Cahn-Hilliard model is used to predict the evolution of the interfaces. The proposed method is first validated through the classical problem of simulation of partial spreading of a liquid lens between the other two components. Numerical results of interface shapes and contact angles agree well with theoretical solutions. After that, to further demonstrate the capability of the present method, several numerical examples of three-component fluid flows are presented, including a bubble rising across a fluid-fluid interface, single droplet falling through a fluid-fluid interface, the collision-coalescence of two droplets, and the non-contact collision of two droplets. It is shown that the present method can successfully handle complex interactions among three components.

  9. Simulation study of random sequential adsorption of mixtures on a triangular lattice.

    PubMed

    Loncarević, I; Budinski-Petković, Lj; Vrhovac, S B

    2007-09-01

    Random sequential adsorption of binary mixtures of extended objects on a two-dimensional triangular lattice is studied numerically by means of Monte Carlo simulations. The depositing objects are formed by self-avoiding random walks on the lattice. We concentrate here on the influence of the symmetry properties of the shapes on the kinetics of the deposition processes in two-component mixtures. Approach to the jamming limit in the case of mixtures is found to be exponential, of the form: theta(t) approximately theta jam - Deltatheta exp(- t/sigma), and the values of the parameter sigma are determined by the order of symmetry of the less symmetric object in the mixture. Depending on the local geometry of the objects making the mixture, jamming coverage of a mixture can be either greater than both single-component jamming coverages or it can be in between these values. Results of the simulations for various fractional concentrations of the objects in the mixture are also presented. PMID:17767373

  10. Simulating the time-dependent Schr"odinger equation with a quantum lattice-gas algorithm

    NASA Astrophysics Data System (ADS)

    Prezkuta, Zachary; Coffey, Mark

    2007-03-01

    Quantum computing algorithms promise remarkable improvements in speed or memory for certain applications. Currently, the Type II (or hybrid) quantum computer is the most feasible to build. This consists of a large number of small Type I (pure) quantum computers that compute with quantum logic, but communicate with nearest neighbors in a classical way. The arrangement thus formed is suitable for computations that execute a quantum lattice gas algorithm (QLGA). We report QLGA simulations for both the linear and nonlinear time-dependent Schr"odinger equation. These evidence the stable, efficient, and at least second order convergent properties of the algorithm. The simulation capability provides a computational tool for applications in nonlinear optics, superconducting and superfluid materials, Bose-Einstein condensates, and elsewhere.

  11. Computer code for the atomistic simulation of lattice defects and dynamics. [COMENT code

    SciTech Connect

    Schiffgens, J.O.; Graves, N.J.; Oster, C.A.

    1980-04-01

    This document has been prepared to satisfy the need for a detailed, up-to-date description of a computer code that can be used to simulate phenomena on an atomistic level. COMENT was written in FORTRAN IV and COMPASS (CDC assembly language) to solve the classical equations of motion for a large number of atoms interacting according to a given force law, and to perform the desired ancillary analysis of the resulting data. COMENT is a dual-purpose intended to describe static defect configurations as well as the detailed motion of atoms in a crystal lattice. It can be used to simulate the effect of temperature, impurities, and pre-existing defects on radiation-induced defect production mechanisms, defect migration, and defect stability.

  12. Imbalance-correction grid-refinement method for lattice Boltzmann flow simulations

    NASA Astrophysics Data System (ADS)

    Kuwata, Y.; Suga, K.

    2016-04-01

    To enhance the accuracy and applicability of the zonal grid refinement method for the lattice Boltzmann method, a new method which minimizes the interface imbalances of mass and momentum is developed. This method introduces a correction step for the macroscopic flow variables such as the fluid density and velocity to remove their interface discontinuity. To demonstrate and evaluate the presently developed imbalance correction grid refinement method, large eddy simulations of turbulent channel and square cylinder flows are carried out. By changing the grid arrangement in the turbulent channel flows, it is confirmed that the present method reduces the sensitivity to the location of the grid refinement interface and minimizes the unphysically discontinuous profiles satisfactorily. Furthermore, the present method considerably improves mass conservation of the system, which is particularly important for long time periodical flow simulations. It is also confirmed that the present method generally improves the prediction performance of the square cylinder flows.

  13. Simulation of the many-body dynamical quantum Hall effect in an optical lattice

    NASA Astrophysics Data System (ADS)

    Zhang, Dan-Wei; Yang, Xu-Chen

    2016-05-01

    We propose an experimental scheme to simulate the many-body dynamical quantum Hall effect with ultra-cold bosonic atoms in a one-dimensional optical lattice. We first show that the required model Hamiltonian of a spin-1/2 Heisenberg chain with an effective magnetic field and tunable parameters can be realized in this system. For dynamical response to ramping the external fields, the quantized plateaus emerge in the Berry curvature of the interacting atomic spin chain as a function of the effective spin-exchange interaction. The quantization of this response in the parameter space with the interaction-induced topological transition characterizes the many-body dynamical quantum Hall effect. Furthermore, we demonstrate that this phenomenon can be observed in practical cold atom experiments with numerical simulations.

  14. Lattice Boltzmann Simulation of Blood Flow in Blood Vessels with the Rolling Massage

    NASA Astrophysics Data System (ADS)

    Yi, Hou-Hui; Xu, Shi-Xiong; Qian, Yue-Hong; Fang, Hai-Ping

    2005-12-01

    The rolling massage manipulation is a classic Chinese massage, which is expected to improve the circulation by pushing, pulling and kneading of the muscle. A model for the rolling massage manipulation is proposed and the lattice Boltzmann method is applied to study the blood flow in the blood vessels. The simulation results show that the blood flux is considerably modified by the rolling massage and the explicit value depends on the rolling frequency, the rolling depth, and the diameter of the vessel. The smaller the diameter of the blood vessel, the larger the enhancement of the blood flux by the rolling massage. The model, together with the simulation results, is expected to be helpful to understand the mechanism and further development of rolling massage techniques.

  15. Simulation of 1 + 1 dimensional surface growth and lattices gases using GPUs

    NASA Astrophysics Data System (ADS)

    Schulz, Henrik; Ódor, Géza; Ódor, Gergely; Nagy, Máté Ferenc

    2011-07-01

    Restricted solid on solid surface growth models can be mapped onto binary lattice gases. We show that efficient simulation algorithms can be realized on GPUs either by CUDA or by OpenCL programming. We consider a deposition/evaporation model following Kardar-Parisi-Zhang growth in 1 + 1 dimensions related to the Asymmetric Simple Exclusion Process and show that for sizes, that fit into the shared memory of GPUs one can achieve the maximum parallelization speedup (∼×100 for a Quadro FX 5800 graphics card with respect to a single CPU of 2.67 GHz). This permits us to study the effect of quenched columnar disorder, requiring extremely long simulation times. We compare the CUDA realization with an OpenCL implementation designed for processor clusters via MPI. A two-lane traffic model with randomized turning points is also realized and the dynamical behavior has been investigated.

  16. Simulation of Droplets Collisions Using Two-Phase Entropic Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Mazloomi Moqaddam, A.; Chikatamarla, S. S.; Karlin, I. V.

    2015-12-01

    The recently introduced entropic lattice Boltzmann model for multiphase flows (Mazloomi et al. in Phys Rev Lett 114:174502, 2015) is used to simulate binary droplet collisions. The entropy-based stabilization, together with a new polynomial equation of state, enhances performance of the model and allow us to simulate droplet collision for various Weber and Reynolds numbers and large liquid to vapor density ratio. Different types of droplet collision outcomes, namely coalescence, stretching separation and reflexive separation are recovered in a range of impact parameter for two equal sized droplets. The results demonstrated the essential role played by the surface tension, kinematic viscosity, impact parameter and relative velocity in the droplet collision dynamics leading to coalescence or separation collision outcomes. Comparison between numerical results and experiments in both coalescence and separation collisions demonstrate viability of the presented model.

  17. Molecular dynamics simulation of lattice structure, radiation damage, and vibrational spectra of zircon (ZrSiO{sub 4}).

    SciTech Connect

    Liu, G. K.; Zhuang, H.-Z.; Beitz, J. V.

    2000-11-03

    The lattice structure, phonon density of states, and infrared spectrum for crystalline zircon, ZrSiO{sub 4}, have been studied using a molecular dynamics (MD) simulation method that utilizes the Born-Mayer-Huggins and Coulomb pair potentials and the Stillinger-Weber three-body potential. A lattice block of ZrSiO{sub 4}, which contains 343 unit cells with dimensions of 4.6249 x 4.6249 x 4.1874 nm{sub 3} and containing 8232 ions, was considered in our calculations. The simulated lattice structure agreed with that determined from x-ray and neutron diffraction experiments. The vibrational modes and absorption spectrum were calculated based on the simulated lattice and compared with infrared absorption spectra. Characteristic lines in infrared spectra obtained from previous experiments on natural and synthetic zircon were assigned to specific bond structures by interactive MD simulations with variation of selected potential parameters. It is shown that the O-Si-O three-body correlations in the SiO{sub 4} tetrahedron significantly influence the spectrum. It is demonstrated that the oxygen ions that are parallel and perpendicular to the c-axis in the SiO{sub 4} tetrahedron are inequivalent and make different contributions to the vibration spectrum. The energy distribution among 24 atoms in a unit cell in the 1011-cm{sup {minus}1} vibrational mode is shown in Fig. 1. Comparison between the simulated infrared absorption spectrum and that from experiments on synthetic zircon is shown in Fig. 2. The interactive method of fitting simulated results to those determined from experiments may be used as a tool for studying nanostructure and thermodynamics properties of materials. The model potentials for the ZrSiO{sub 4} lattice are refined and further applied to MD simulation of lattice disordering and line broadening that are induced by radiation damage processes and amorphization. We have further simulated alpha-decay-induced damage and dynamical recovery in the lattice of Zr

  18. Lattice Boltzmann simulation of coalescence of multiple droplets on nonideal surfaces.

    PubMed

    Zhou, Wenchao

    2015-11-01

    The interaction dynamics of droplets on a solid surface is a fundamental problem that is important to a wide variety of industrial applications, such as inkjet printing. Most previous research has focused on a single droplet and little research has been reported on the dynamics of multiple-droplet interactions on surfaces. Recently, Zhou et al. [W. Zhou, D. Loney, A. G. Fedorov, F. L. Degertekin, and D. W. Rosen, Lattice Boltzmann simulations of multiple-droplet interaction dynamics, Phys. Rev. E 89, 033311 (2014)] reported an efficient numerical solver based on the lattice Boltzmann method (LBM) that enabled the simulation of the multiple-droplet interaction dynamics on an ideal surface (i.e., smooth and homogeneous). In order to predict the interaction dynamics in the real world, it is necessary to take into consideration the contact angle hysteresis phenomenon on a nonideal surface, which is possibly caused by the surface roughness and chemical inhomogeneity of the surface. In this paper a dynamic contact angle boundary condition is developed to take into account the contact angle hysteresis effect based on the previously reported LBM. The improved LBM is validated with experimental data from the literature. The influence of the droplet impact conditions (e.g., fluid properties and impingement velocity), droplet spacing, and surface conditions on the two-droplet interaction dynamics is investigated with the validated LBM. Interesting phenomena are observed and discussed. The interaction of a line of six droplets on a nonideal surface is simulated to demonstrate the powerful capability of the developed numerical solver in simulating the multiple-droplet interaction dynamics in the real world. PMID:26651816

  19. Color-gradient lattice Boltzmann model for simulating droplet motion with contact-angle hysteresis

    NASA Astrophysics Data System (ADS)

    Ba, Yan; Liu, Haihu; Sun, Jinju; Zheng, Rongye

    2013-10-01

    Lattice Boltzmann method (LBM) is an effective tool for simulating the contact-line motion due to the nature of its microscopic dynamics. In contact-line motion, contact-angle hysteresis is an inherent phenomenon, but it is neglected in most existing color-gradient based LBMs. In this paper, a color-gradient based multiphase LBM is developed to simulate the contact-line motion, particularly with the hysteresis of contact angle involved. In this model, the perturbation operator based on the continuum surface force concept is introduced to model the interfacial tension, and the recoloring operator proposed by Latva-Kokko and Rothman is used to produce phase segregation and resolve the lattice pinning problem. At the solid surface, the color-conserving wetting boundary condition [Hollis , IMA J. Appl. Math.IJAMDM0272-496010.1093/imamat/hxr008 76, 726 (2011)] is applied to improve the accuracy of simulations and suppress spurious currents at the contact line. In particular, we present a numerical algorithm to allow for the effect of the contact-angle hysteresis, in which an iterative procedure is used to determine the dynamic contact angle. Numerical simulations are conducted to verify the developed model, including the droplet partial wetting process and droplet dynamical behavior in a simple shear flow. The obtained results are compared with theoretical solutions and experimental data, indicating that the model is able to predict the equilibrium droplet shape as well as the dynamic process of partial wetting and thus permits accurate prediction of contact-line motion with the consideration of contact-angle hysteresis.

  20. Lattice Boltzmann simulation of coalescence of multiple droplets on nonideal surfaces

    NASA Astrophysics Data System (ADS)

    Zhou, Wenchao

    2015-11-01

    The interaction dynamics of droplets on a solid surface is a fundamental problem that is important to a wide variety of industrial applications, such as inkjet printing. Most previous research has focused on a single droplet and little research has been reported on the dynamics of multiple-droplet interactions on surfaces. Recently, Zhou et al. [W. Zhou, D. Loney, A. G. Fedorov, F. L. Degertekin, and D. W. Rosen, Lattice Boltzmann simulations of multiple-droplet interaction dynamics, Phys. Rev. E 89, 033311 (2014), 10.1103/PhysRevE.89.033311] reported an efficient numerical solver based on the lattice Boltzmann method (LBM) that enabled the simulation of the multiple-droplet interaction dynamics on an ideal surface (i.e., smooth and homogeneous). In order to predict the interaction dynamics in the real world, it is necessary to take into consideration the contact angle hysteresis phenomenon on a nonideal surface, which is possibly caused by the surface roughness and chemical inhomogeneity of the surface. In this paper a dynamic contact angle boundary condition is developed to take into account the contact angle hysteresis effect based on the previously reported LBM. The improved LBM is validated with experimental data from the literature. The influence of the droplet impact conditions (e.g., fluid properties and impingement velocity), droplet spacing, and surface conditions on the two-droplet interaction dynamics is investigated with the validated LBM. Interesting phenomena are observed and discussed. The interaction of a line of six droplets on a nonideal surface is simulated to demonstrate the powerful capability of the developed numerical solver in simulating the multiple-droplet interaction dynamics in the real world.

  1. Lattice Boltzmann simulation of rising bubble dynamics using an effective buoyancy method

    NASA Astrophysics Data System (ADS)

    Ngachin, Merlin; Galdamez, Rinaldo G.; Gokaltun, Seckin; Sukop, Michael C.

    2015-08-01

    This study describes the behavior of bubbles rising under gravity using the Shan and Chen-type multicomponent multiphase lattice Boltzmann method (LBM) [X. Shan and H. Chen, Phys. Rev. E47, 1815 (1993)]. Two-dimensional (2D) single bubble motions were simulated, considering the buoyancy effect for which the topology of the bubble was characterized by the nondimensional Eötvös (Eo), and Morton (M) numbers. In this study, a new approach based on the "effective buoyancy" was adopted and proven to be consistent with the expected bubble shape deformation. This approach expands the range of effective density differences between the bubble and the liquid that can be simulated. Based on the balance of forces acting on the bubble, it can deform from spherical to ellipsoidal shape with skirts appearing at high Eo number. A benchmark computational case for qualitative and quantitative validation was performed using COMSOL Multiphysics based on the level set method. Simulations were conducted for 1 ≤ Eo ≤ 100 and 3 × 10-6 ≤ M ≤ 2.73 × 10-3. Interfacial tension was checked through simulations without gravity, where Laplace's law was satisfied. Finally, quantitative analyses based on the terminal rise velocity and the degree of circularity was performed for various Eo and M values. Our results were compared with both the theoretical shape regimes given in literature and available simulation results.

  2. Micro Blowing Simulations Using a Coupled Finite-Volume Lattice-Boltzman n L ES Approach

    NASA Technical Reports Server (NTRS)

    Menon, S.; Feiz, H.

    1990-01-01

    Three dimensional large-eddy simulations (LES) of single and multiple jet-in-cross-flow (JICF) are conducted using the 19-bit Lattice Boltzmann Equation (LBE) method coupled with a conventional finite-volume (FV) scheme. In this coupled LBE-FV approach, the LBE-LES is employed to simulate the flow inside the jet nozzles while the FV-LES is used to simulate the crossflow. The key application area is the use of this technique is to study the micro blowing technique (MBT) for drag control similar to the recent experiments at NASA/GRC. It is necessary to resolve the flow inside the micro-blowing and suction holes with high resolution without being restricted by the FV time-step restriction. The coupled LBE-FV-LES approach achieves this objectives in a computationally efficient manner. A single jet in crossflow case is used for validation purpose and the results are compared with experimental data and full LBE-LES simulation. Good agreement with data is obtained. Subsequently, MBT over a flat plate with porosity of 25% is simulated using 9 jets in a compressible cross flow at a Mach number of 0.4. It is shown that MBT suppresses the near-wall vortices and reduces the skin friction by up to 50 percent. This is in good agreement with experimental data.

  3. Lattice Boltzmann simulation of dynamics of plunge and pitch of 3D flexible wing

    NASA Astrophysics Data System (ADS)

    Qi, Dewei; Shyy, Wei

    2008-11-01

    The method of lattice Boltzmann (LB) simulation has been used to simulate fluid structures and motion of a flexible insect wing in a 3D space. In the method, a beam has been discretized into a chain of rigid segments. Each segment is connected through ball and socket joints at its ends. One segment may be bent and twisted with its neighboring segment. A constraint force is applied to each joint to ensure the solid structure moving as a whole flexible elastic body.We have demonstrated that the LB method is suitable for modeling of aerodynamics of insects flight at low Reynolds numbers. First, a simulation of plunging and pitching of a rigid wing is performed at Re=75 in a 2D space and the results of lift forces and flow structures are in excellent agreement with the previous results. Second, plunging and pitching of a flexible wing in span-wise direction is simulated at Re=136 in a 3D space. We found that when twisting elasticity is large enough the twisting angle could be controlled at a level of smaller than 0.2 degree. It is shown that as bending and twisting elasticity is large enough, the motion of flexible wing approaches that of a rigid membrane wing. The simulation results show that the optimization of flexibility in span-wise direction will benefit thrust and an intermediate level is favorable. The results are consistent with experimental finding.

  4. Simulation by using the lattice Boltzmann method of microscopic particle motion induced by artificial cilia

    NASA Astrophysics Data System (ADS)

    Alapati, Suresh; Che, Woo Seong; Mannoor, Madhusoodanan; Suh, Yong Kweon

    2016-06-01

    In this paper, we present the results obtained from the simulation of particle motion induced by the fluid flow driven by an array of beating artificial cilia inside a micro-channel. A worm-like-chain model is used to simulate the elastic cilia, and the lattice Boltzmann equation is used to compute the fluid flow. We employ a harmonic force at the extreme tip of each cilium to actuate it. Our simulation methods are first validated by applying them to the motion of a single cilium and a freely falling sphere. After validation, we simulate the fluid flow generated by an array of beating cilia and find that a maximum flow rate is achieved at an optimum sperm number. Next, we simulate the motion of a neutrally buoyant spherical particle at this optimum sperm number by tracking the particle motion with a smoothed profile method. We address the effect of the following parameters on the particle velocity: the gap between cilia and particle, the particle size, the cilia density, and the presence of an array of intermediate particles.

  5. Simulation of the gyroid phase in off-lattice models of pure diblock copolymer melts

    NASA Astrophysics Data System (ADS)

    Martínez-Veracoechea, Francisco J.; Escobedo, Fernando A.

    2006-09-01

    Particle-based molecular simulations of pure diblock copolymer (DBC) systems were performed in continuum space via dissipative particle dynamics and Monte Carlo methods for a bead-spring chain model. This model consisted of chains of soft repulsive particles often used with dissipative particle dynamics. The gyroid phase was successfully simulated in DBC melts at selected conditions provided that the simulation box size was commensurate with the gyroid lattice spacing. Simulations were concentrated at conditions where the gyroid phase is expected to be stable which allowed us to outline approximate phase boundaries. When more than one phase was observed by varying simulation box size, thermodynamic stability was discerned by comparing the Helmholtz free energy of the competing phases. For this purpose, chemical potentials were efficiently simulated via an expanded ensemble that gradually inserts/deletes a target chain to/from the system. These simulations employed a novel combination of Bennett's [J. Comput. Phys. 22, 245 (1976)] acceptance-ratio method to estimate free-energy differences and a recently proposed method to get biasing weights that maximize the number of times that the target chain is regrown. The analysis of the gyroid nodes revealed clear evidence of packing frustration in the form of an (entropically) unfavorably overstretching of chains, a phenomenon that has been suggested to provide the structural basis for the limited region of stability of the gyroid phase in the DBC phase diagram. Finally, the G phase and nodal chain stretching were also found in simulations with a completely different DBC particle-based model.

  6. Lattice Boltzmann simulations of electrokinetic coupling : effects of rugosity and local conductivity

    NASA Astrophysics Data System (ADS)

    Fiorentino, Eve-Agnès; Toussaint, Renaud; Jouniaux, Laurence

    2015-04-01

    Streaming-potentials are produced by electrokinetic effects in relation to fluid flow, and are used for geophysical prospecting. The electrokinetic coupling is induced by the coupling between the fluid flow and the electrical flow, which results from the presence of an electrical double layer at the rock/pore water interface. When fluid flows through a porous medium, it gives rise to an electric streaming current, counterbalanced by a conduction current, leading to a resulting measurable electrical voltage. Streaming current generation is well understood in water-saturated porous media, but the streaming potential coefficient at very-low and very-high salinities can show a non-linear behaviour. The aim of this study is to model the streaming potential coefficient using Lattice Boltzmann simulations and to quantify the effect of parameters such as fluid conductivity and rugosity. The lattice Boltzmann method is computational fluid dynamics technique that allows to solve advection and diffusion phenomena. We implement a coupled lattice Boltzmann algorithm that solves both the flow in a rock channel and the electrical diffusion to calculate the streaming potential coefficient (ratio between the created potential difference and the applied pressure gradient) in various situations. In this study, we aim at quantifying the change that is brought by taking into account the dependence of the local fluid conductivity on the local concentration. We also observe the influence of a rough surface on the behaviour of this coefficient with the fluid salinity. We try to generate non-linearities regarding the theoretical prediction of the streaming potential coefficient with a view to explaining existing experimental measurements.

  7. Evaluation of the unstructured lattice Boltzmann method in porous flow simulations

    NASA Astrophysics Data System (ADS)

    Misztal, Marek; Matin, Rastin; Hernandez, Anier; Mathiesen, Joachim

    2015-11-01

    Flows in porous media are among the most challenging to simulate using the computational fluid dynamics methods, primarily due to the complex boundaries, often characterized by a very broad distribution of pore sizes. The standard (regular grid based) lattice Boltzmann method with the multi-relaxation time (MRT) collision operator is often used to simulate such flows. However, due to the lack of coupling between the positions of the computational grid nodes and the solid boundaries, the properties of the simulated flow might unnaturally vary with the fluid's viscosity, depending on the parameters of the MRT operator. This is, for instance, the case with the otherwise popular, single-relaxation time Bhatnagar-Gross-Krook (BGK) collision operator. Our focus has been on the unstructured grid based, finite element variant of the LBM. By using such approach, we can place the computational grid nodes precisely at the solid boundary. Since there is no prior work on the accuracy of this method in simulating porous flows, we perform a thorough permeability study using both BGK and MRT operators at a wide range of viscosities. We benchmark these models on artificial samples with known solutions, and further, we demonstrate the findings of our studies in the porous networks of real rocks. Predicting Petrophysical Parameters: A Project Sponsored by HTF and Maersk Oil and Gas.

  8. Towards mico-ThFFF for polymer analysis: Lattice-Boltzmann based simulations

    NASA Astrophysics Data System (ADS)

    Antonelli, Michael; Kreft Pearce, Jennifer

    2014-11-01

    Thermophoresis describes a behavior, observed at micro-scales, in which particles migrate due to a temperature gradient. The purpose of this project is to study the parameters that have the greatest effect on thermophoresis and to use these properties to design a device for separating biological macromolecules using extremely small samples. A Lattice-Boltzmann based computer simulation of a microfluidic cell was used to determine the conditions under which DNA molecules, in a buffered salt solution, will exhibit this phenomenon. The simulation monitored particle positions within the cell, beginning from random initial conditions. Particle-solvent and particle-particle interactions were examined. Particle-particle interactions were modeled using the Lennard-Jones potential. By modifying the distance at which potential is minimized as well as the magnitude of the potential, conditions that increase the response of the molecule to the temperature gradient were observed. Once satisfactory conditions had been determined, separation of particles in a theoretical microfluidic device was simulated. The periodic boundary conditions were changed and a more dynamic channel was modeled. Unidirectional flow fields as well as particles with differing thermophoretic properties were simulated in the micro-channel and their concentrations across the channel measured.

  9. Simulations of the Karlsruhe Dynamo Using the Lattice-Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Sarkar, Aveek

    2005-07-01

    The dynamo mechanism is on the way of understanding. Several numerical simul ations have shown the dynamo mechanism successfully. In recent years dynamo mech anism could be brought down to the laboratory even, where self-sustained magneti c field is observed (fed by the kinetic energy of the fluid, as predicted in the theory). One of these successful laboratory experiments is situated in Karlsruhe, Germany. Even though the magnetic field is self sustained in the experiment, the magn etic field oscillation around its mean value is still to be discovered. Simulations of the dynamo effect require the simultaneous integration of the Navier-Stokes equation and of the Induction equation of electrodynamics. We dev elop a hybrid method in which the Navier-Stokes equation is solved with a Lattic e-Boltzmann method and the Induction equation is treated with a spectral method. Later, this hybrid code is used to simulate the Karlsruhe Dynamo experiment and we suggest the cause of the magnetic field oscillation in this thesis. Die Dynamoeinheit ist auf der Weise des Verstehens. Einige numerische simul ations haben die Dynamoeinheit erfolgreich gezeigt. In den letzten Jahren Dynamo könnte mech anism zum Labor sogar gesenkt werden, wo Selbst-unterstütztes magnetic wird beobachtet auffangen (eingezogen durch die kinetische Energie der Flüssigkeit, wie in der Theorie vorausgesagt). Eins dieser erfolgreichen Laborexperimente wird in Karlsruhe, Deutschland aufgestellt. Numerisch versuchen wir, diesen Dynamo zu simulieren.

  10. Evaluation of Airframe Noise Reduction Concepts via Simulations Using a Lattice Boltzmann Approach

    NASA Technical Reports Server (NTRS)

    Fares, Ehab; Casalino, Damiano; Khorrami, Mehdi R.

    2015-01-01

    Unsteady computations are presented for a high-fidelity, 18% scale, semi-span Gulfstream aircraft model in landing configuration, i.e. flap deflected at 39 degree and main landing gear deployed. The simulations employ the lattice Boltzmann solver PowerFLOW® to simultaneously capture the flow physics and acoustics in the near field. Sound propagation to the far field is obtained using a Ffowcs Williams and Hawkings acoustic analogy approach. In addition to the baseline geometry, which was presented previously, various noise reduction concepts for the flap and main landing gear are simulated. In particular, care is taken to fully resolve the complex geometrical details associated with these concepts in order to capture the resulting intricate local flow field thus enabling accurate prediction of their acoustic behavior. To determine aeroacoustic performance, the farfield noise predicted with the concepts applied is compared to high-fidelity simulations of the untreated baseline configurations. To assess the accuracy of the computed results, the aerodynamic and aeroacoustic impact of the noise reduction concepts is evaluated numerically and compared to experimental results for the same model. The trends and effectiveness of the simulated noise reduction concepts compare well with measured values and demonstrate that the computational approach is capable of capturing the primary effects of the acoustic treatment on a full aircraft model.

  11. Different Scalable Implementations of Collision and Streaming for Optimal Computational Performance of Lattice Boltzmann Simulations

    NASA Astrophysics Data System (ADS)

    Geneva, Nicholas; Wang, Lian-Ping

    2015-11-01

    In the past 25 years, the mesoscopic lattice Boltzmann method (LBM) has become an increasingly popular approach to simulate incompressible flows including turbulent flows. While LBM solves more solution variables compared to the conventional CFD approach based on the macroscopic Navier-Stokes equation, it also offers opportunities for more efficient parallelization. In this talk we will describe several different algorithms that have been developed over the past 10 plus years, which can be used to represent the two core steps of LBM, collision and streaming, more effectively than standard approaches. The application of these algorithms spans LBM simulations ranging from basic channel to particle laden flows. We will cover the essential detail on the implementation of each algorithm for simple 2D flows, to the challenges one faces when using a given algorithm for more complex simulations. The key is to explore the best use of data structure and cache memory. Two basic data structures will be discussed and the importance of effective data storage to maximize a CPU's cache will be addressed. The performance of a 3D turbulent channel flow simulation using these different algorithms and data structures will be compared along with important hardware related issues.

  12. Assessment of interaction potential in simulating nonisothermal multiphase systems by means of lattice Boltzmann modeling

    NASA Astrophysics Data System (ADS)

    Zarghami, Ahad; Looije, Niels; Van den Akker, Harry

    2015-08-01

    The pseudopotential lattice Boltzmann model (PP-LBM) is a very popular model for simulating multiphase systems. In this model, phase separation occurs via a short-range attraction between different phases when the interaction potential term is properly chosen. Therefore, the potential term is expected to play a significant role in the model and to affect the accuracy and the stability of the computations. The original PP-LBM suffers from some drawbacks such as being capable of dealing with low density ratios only, thermodynamic inconsistency, and spurious velocities. In this paper, we aim to analyze the PP-LBM with the view to simulate single-component (non-)isothermal multiphase systems at large density ratios and in spite of the presence of spurious velocities. For this purpose, the performance of two popular potential terms and of various implementation schemes for these potential terms is examined. Furthermore, the effects of different parameters (i.e., equation of state, viscosity, etc.) on the simulations are evaluated, and, finally, recommendations for a proper simulation of (non-)isothermal multiphase systems are presented.

  13. Chebyshev collocation spectral lattice Boltzmann method for simulation of low-speed flows.

    PubMed

    Hejranfar, Kazem; Hajihassanpour, Mahya

    2015-01-01

    In this study, the Chebyshev collocation spectral lattice Boltzmann method (CCSLBM) is developed and assessed for the computation of low-speed flows. Both steady and unsteady flows are considered here. The discrete Boltzmann equation with the Bhatnagar-Gross-Krook approximation based on the pressure distribution function is considered and the space discretization is performed by the Chebyshev collocation spectral method to achieve a highly accurate flow solver. To provide accurate unsteady solutions, the time integration of the temporal term in the lattice Boltzmann equation is made by the fourth-order Runge-Kutta scheme. To achieve numerical stability and accuracy, physical boundary conditions based on the spectral solution of the governing equations implemented on the boundaries are used. An iterative procedure is applied to provide consistent initial conditions for the distribution function and the pressure field for the simulation of unsteady flows. The main advantage of using the CCSLBM over other high-order accurate lattice Boltzmann method (LBM)-based flow solvers is the decay of the error at exponential rather than at polynomial rates. Note also that the CCSLBM applied does not need any numerical dissipation or filtering for the solution to be stable, leading to highly accurate solutions. Three two-dimensional (2D) test cases are simulated herein that are a regularized cavity, the Taylor vortex problem, and doubly periodic shear layers. The results obtained for these test cases are thoroughly compared with the analytical and available numerical results and show excellent agreement. The computational efficiency of the proposed solution methodology based on the CCSLBM is also examined by comparison with those of the standard streaming-collision (classical) LBM and two finite-difference LBM solvers. The study indicates that the CCSLBM provides more accurate and efficient solutions than these LBM solvers in terms of CPU and memory usage and an exponential

  14. Lattice-Boltzmann Simulations of Flows Over Backward-Facing Inclined Steps

    NASA Astrophysics Data System (ADS)

    Kotapati, Rupesh B.; Shock, Richard; Chen, Hudong

    2014-01-01

    The lattice-Boltzmann method (LBM) is used in conjunction with a very large-eddy simulation (VLES) turbulence modeling approach to compute separated flows over backward-facing steps at different wall inclination angles. The Reynolds number ReH based on the step height H and center-line velocity at the channel inlet ucl is 64 000. The expansion ratio of the outlet section to the inlet section of the channel is 1.48. Wall inclination angles α considered include 10°, 15°, 20°, 25°, 30° and 90°. The computed flow fields for different inclination angles of the step are assessed against the laser Doppler anemometry (LDA) measurements of Makiola [B. Makiola, Ph.D. Thesis, University of Karlsruhe (1992); B. Ruck and B. Makiola, Flow separation over the step with inclined walls, in Near-Wall Turbulent Flows, eds. R. M. C. So, C. G. Speziale and B. E. Launder (Elsevier, 1993), p. 999.]. In addition to validating the lattice-Boltzmann solution with the experiments, this study also investigates the effects of three dimensionality, the proximity of the inlet to the step, and the grid resolution on the quality of the predictions.

  15. Lattice Boltzmann simulations of liquid crystal particulate flow in a channel with finite anchoring boundary conditions

    NASA Astrophysics Data System (ADS)

    Zhang, Rui; Roberts, Tyler; de Pablo, Juan; dePablo Team

    2014-11-01

    Liquid crystals (LC) posses anisotropic viscoelastic properties, and, as such, LC flow can be incredibly complicated. Here we employ a hybrid lattice Boltzmann method (pioneered by Deniston, Yeomans and Cates) to systematically study the hydrodynamics of nematic liquid crystals (LCs) with and without solid particles. This method evolves the velocity field through lattice Boltzmann and the LC-order parameter via a finite-difference solver of the Beris-Edwards equation. The evolution equation of the boundary points with finite anchoring is obtained through Poisson bracket formulation. Our method has been validated by matching the Ericksen-Leslie theory. We demonstrate two applications in the flow alignment regime. We first investigate a hybrid channel flow in which the top and bottom walls have different anchoring directions. By measuring the apparent shear viscosity in terms of Couette flow, we achieve a viscosity inhomogeneous system which may be applicable to nano particle processing. In the other example, we introduce a homeotropic spherical particle to the channel, and focus on the deformations of the defect ring due to anchorings and flow. The results are then compared to the molecular dynamics simulations of a colloid particle in an LC modeled by a Gay-Berne potential.

  16. Discretization effects and the scalar meson correlator in mixed-action lattice simulations

    SciTech Connect

    Aubin, C.; Laiho, Jack; Van de Water, Ruth S.

    2008-06-01

    We study discretization effects in a mixed-action lattice theory with domain-wall valence quarks and Asqtad-improved staggered sea quarks. At the level of the chiral effective Lagrangian, discretization effects in the mixed-action theory give rise to two new parameters as compared to the lowest order Lagrangian for rooted-staggered fermions - the residual quark mass m{sub res} and the mixed valence-sea meson mass splitting {delta}{sub mix}. We find that m{sub res}, which parametrizes explicit chiral symmetry breaking in the mixed-action theory, is approximately one-quarter the size of our lightest valence quark mass on our coarser lattice spacing and of comparable size to that of simulations by the RBC and UKQCD Collaborations. We also find that the size of {delta}{sub mix} is comparable to the size of the smallest of the staggered meson taste splittings measured by the MILC Collaboration. Because lattice artifacts are different in the valence and sea sectors of the mixed-action theory, they give rise to unitarity-violating effects that disappear in the continuum limit, some of which should be described by mixed-action chiral perturbation theory (MA{chi}PT). Such effects are expected to be mild for many quantities of interest but are expected to be significant in the case of the isovector scalar (a{sub 0}) correlator. Specifically, once the parameters m{sub res}, {delta}{sub mix}, and two others that can be determined from the light pseudoscalar meson spectrum are known, the two-particle intermediate state 'bubble' contribution to the scalar correlator is completely predicted within MA{chi}PT. We find that the behavior of the scalar meson correlator is quantitatively consistent with the MA{chi}PT prediction; this supports the claim that MA{chi}PT describes the dominant unitarity-violating effects in the mixed-action theory and can therefore be used to remove lattice artifacts and recover physical quantities.

  17. Simulations of a lattice model of two-headed linear amphiphiles: Influence of amphiphile asymmetry

    NASA Astrophysics Data System (ADS)

    Jackson, Douglas R.; Mohareb, Amir; MacNeil, Jennifer; Razul, M. Shajahan G.; Marangoni, D. Gerrard; Poole, Peter H.

    2011-05-01

    Using a 2D lattice model, we conduct Monte Carlo simulations of micellar aggregation of linear-chain amphiphiles having two solvophilic head groups. In the context of this simple model, we quantify how the amphiphile architecture influences the critical micelle concentration (CMC), with a particular focus on the role of the asymmetry of the amphiphile structure. Accordingly, we study all possible arrangements of the head groups along amphiphile chains of fixed length N = 12 and 16 molecular units. This set of idealized amphiphile architectures approximates many cases of symmetric and asymmetric gemini surfactants, double-headed surfactants, and boloform surfactants. Consistent with earlier results, we find that the number of spacer units s separating the heads has a significant influence on the CMC, with the CMC increasing with s for s < N/2. In comparison, the influence of the asymmetry of the chain architecture on the CMC is much weaker, as is also found experimentally.

  18. Transverse Spin Structure of the Nucleon from Lattice-QCD Simulations

    SciTech Connect

    Goeckeler, M.; Schaefer, A.; Haegler, Ph.; Horsley, R.; Zanotti, J. M.; Nakamura, Y.; Pleiter, D.; Schierholz, G.

    2007-06-01

    We present the first calculation in lattice QCD of the lowest two moments of transverse spin densities of quarks in the nucleon. They encode correlations between quark spin and orbital angular momentum. Our dynamical simulations are based on two flavors of clover-improved Wilson fermions and Wilson gluons. We find significant contributions from certain quark helicity flip generalized parton distributions, leading to strongly distorted densities of transversely polarized quarks in the nucleon. In particular, based on our results and recent arguments by Burkardt [Phys. Rev. D 72, 094020 (2005)], we predict that the Boer-Mulders function h{sub 1}{sup perpendicular}, describing correlations of transverse quark spin and intrinsic transverse momentum of quarks, is large and negative for both up and down quarks.

  19. Lattice Boltzmann method simulating hemodynamics in the three-dimensional stenosed and recanalized human carotid bifurcations

    NASA Astrophysics Data System (ADS)

    Kang, XiuYing

    2015-01-01

    By using the lattice Boltzmann method (LBM) pulsatile blood flows were simulated in three-dimensional moderate stenosed and recanalized carotid bifurcations to understand local hemodynamics and its relevance in arterial atherosclerosis formation and progression. The helical flow patterns, secondary flow and wall dynamical pressure spatiotemporal distributions were investigated, which leads to the disturbed shear forces in the carotid artery bifurcations. The wall shear stress distributions indicated by time-averaged wall shear stress (TAWSS), oscillatory shear index (OSI), and the relative residence time (RRT) in a cardiac cycle revealed the regions where atherosclerotic plaques are prone to form, extend or rupture. This study also illustrates the point that locally disturbed flow may be considered as an indicator for early atherosclerosis diagnosis. Additionally the present work demonstrates the robust and highly efficient advantages of the LBM for the hemodynamics study of the human blood vessel system.

  20. Channel flow of a tensorial shear-thinning Maxwell model: Lattice Boltzmann simulations.

    PubMed

    Papenkort, S; Voigtmann, Th

    2014-04-28

    We discuss pressure-driven channel flow for a model of shear-thinning glass-forming fluids, employing a modified lattice-Boltzmann (LB) simulation scheme. The model is motivated by a recent microscopic approach to the nonlinear rheology of colloidal suspensions and captures a nonvanishing dynamical yield stress and the appearance of normal-stress differences and a flow-induced pressure contribution. The standard LB algorithm is extended to deal with tensorial, nonlinear constitutive equations of this class. The new LB scheme is tested in 2D pressure-driven channel flow and reproduces the analytical steady-state solution. The transient dynamics after startup and removal of the pressure gradient reproduce a finite stopping time for the cessation flow of yield-stress fluids in agreement with previous analytical estimates. PMID:24784287

  1. Numerical simulations of immiscible displacement in the cavities via lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Liang, Hong; Chai, Zhenhua; Shi, Baochang; Guo, Zhaoli; Li, Qiuxiang

    2015-12-01

    In this paper, the immiscible displacements in the different cavities are studied by the pseudo-potential lattice Boltzmann (LB) model. We first validate the model with a two-dimensional (2D) layered flow, and find that the numerical results agree well with the corresponding analytical solutions. Then, we perform some numerical simulations to study the immiscible displacements in the cavities, and focus on the effects of the surface wettability, capillary number and density ratio on the displacement efficiency. The numerical results show that the displacement efficiency increases with the increase of the capillary number at first and then presents a decrease with the capillary number when it is large enough. The increase of the contact angle θ1 or decrease of the density ratio increases the displacement efficiency but decreases the critical capillary number. Finally, it is also found that both the size and geometry of cavity have a significant influence on the displacement efficiency.

  2. Investigation of Oxygen Transfer Enhancement in Thermally Driven Cavities By Lattice Boltzmann Simulation.

    NASA Astrophysics Data System (ADS)

    Yu, Huidan; Zhang, Jinsuo; Li, Ning

    2006-03-01

    We investigate the enhancement of mass transfer in 2D thermally driven cavities using lattice Boltzmann equation (LBE) method. The computational technique integrates three coupled LBEs for solving velocity, temperature, and concentration fields simultaneously. Simulation is performed for oxygen transfer in lead/lead-bismuth eutectic with variations of temperature boundary, Schmidt number, and field aspect ratio to investigate the effects on enhancement of oxygen transfer. Interested characteristics include oxygen concentration, Sherwood number, and velocity profiles, etc. Our results clearly indicate that oxygen transfer is dominated by convection while diffusion also plays a role on it. Comparative studies demonstrate that side heating and top cooling device is more efficient to transfer oxygen than side heating and cooling device and oxygen transfers more rapidly in square cavity than in rectangular cavity. This work establishes a reliable thermal LBE model for thermally driven heat and mass transfer.

  3. Lattice Boltzmann simulation of multicomponent noncontinuum diffusion in fractal porous structures

    NASA Astrophysics Data System (ADS)

    Ma, Qiang; Chen, Zhenqian

    2015-07-01

    A lattice Boltzmann method (LBM) of multicomponent diffusion is developed to examine multicomponent, noncontinuum mass diffusion in porous media. An additional collision interaction is proposed to mimic the Knudsen diffusion caused by the collision interaction between gas molecules and solid pore walls. Using the improved LBM model, the ternary mixtures diffusion is simulated in fractal porous structures which are reconstructed by the random midpoint displacement algorithm. The effects of fractal characteristics and Knudsen diffusion resistance on the multicomponent diffusion in porous structures are investigated and discussed. The results indicate that the smaller fractal dimension enhances the diffusion rate of gas mixtures in fractal porous structures. When the dimensionless Knudsen diffusion coefficient is less than 20, the presence of Knudsen diffusion resistance reduces the rate of mass diffusion in porous structures obviously, especially for the species with larger molecular weight.

  4. Spin-lattice dynamics simulation of external field effect on magnetic order of ferromagnetic iron

    SciTech Connect

    Chui, C. P.; Zhou, Yan

    2014-03-15

    Modeling of field-induced magnetization in ferromagnetic materials has been an active topic in the last dozen years, yet a dynamic treatment of distance-dependent exchange integral has been lacking. In view of that, we employ spin-lattice dynamics (SLD) simulations to study the external field effect on magnetic order of ferromagnetic iron. Our results show that an external field can increase the inflection point of the temperature. Also the model provides a better description of the effect of spin correlation in response to an external field than the mean-field theory. An external field has a more prominent effect on the long range magnetic order than on the short range counterpart. Furthermore, an external field allows the magnon dispersion curves and the uniform precession modes to exhibit magnetic order variation from their temperature dependence.

  5. Grad's approximation for moving and stationary walls in entropic lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Dorschner, B.; Chikatamarla, S. S.; Bösch, F.; Karlin, I. V.

    2015-08-01

    We introduce a new generalized wall boundary condition for the entropic lattice Boltzmann method (ELBM) that is capable of handling complex flow geometries including moving walls. The Grad's ten moments approximation is employed to approximate the missing populations at the boundary nodes. The new boundary condition significantly improves accuracy, stability and sub-grid features of LBM and in particular of its entropic variant, ELBM. The proposed boundary condition is tested for a range of flows in two dimensions, including planar channel flow, Couette flow, flow past a circular cylinder and sedimenting circular particles. Further simulations involving complex geometries such as flapping wing and transversely oscillating cylinder demonstrate superior stability and accuracy of the new wall boundary condition.

  6. A Lattice Boltzmann Framework for the simulation of boiling hydrodynamics in BWRs.

    SciTech Connect

    Jain, P. K.; Tentner, A.; Uddin, R.

    2008-01-01

    Multi phase and multi component flows are ubiquitous in nature as well as in many man-made processes. A specific example is the Boiling Water Reactor (BWR) core, in which the coolant enters the core as liquid, undergoes a phase change as it traverses the core and exits as a high quality two-phase mixture. Two-phase flows in BWRs typically manifest a wide variety of geometrical patterns of the co-existing phases depending on the local system conditions. Modeling of such flows currently relies on empirical correlations (for example, in the simulation of bubble nucleation, bubble growth and coalescence, and inter-phase surface topology transitions) that hinder the accurate simulation of two-phase phenomena using Computational Fluid Dynamics (CFD) approaches. The Lattice Boltzmann Method (LBM) is in rapid development as a modeling tool to understand these macro-phenomena by coupling them with their underlying micro-dynamics. This paper presents a consistent LBM formulation for the simulation of a two-phase water-steam system. Results of initial model validation in a range of thermodynamic conditions typical for BWRs are also shown. The interface between the two coexisting phases is captured from the dynamics of the model itself, i.e., no interface tracking is needed. The model is based on the Peng-Robinson (P-R) non-ideal equation of state and can quantitatively approximate the phase-coexistence curve for water at different temperatures ranging from 125 to 325 oC. Consequently, coexisting phases with large density ratios (up to {approx}1000) may be simulated. Two-phase models in the 200-300 C temperature range are of significant importance to nuclear engineers since most BWRs operate under similar thermodynamic conditions. Simulation of bubbles and droplets in a gravity-free environment of the corresponding coexisting phase until steady state is reached satisfies Laplace law at different temperatures and thus, yield the surface tension of the fluid. Comparing the LBM

  7. Three-dimensional lattice Boltzmann model for immiscible two-phase flow simulations.

    PubMed

    Liu, Haihu; Valocchi, Albert J; Kang, Qinjun

    2012-04-01

    We present an improved three-dimensional 19-velocity lattice Boltzmann model for immisicible binary fluids with variable viscosity and density ratios. This model uses a perturbation step to generate the interfacial tension and a recoloring step to promote phase segregation and maintain surfaces. A generalized perturbation operator is derived using the concept of a continuum surface force together with the constraints of mass and momentum conservation. A theoretical expression for the interfacial tension is determined directly without any additional analysis and assumptions. The recoloring algorithm proposed by Latva-Kokko and Rothman is applied for phase segregation, which minimizes the spurious velocities and removes lattice pinning. This model is first validated against the Laplace law for a stationary bubble. It is found that the interfacial tension is predicted well for density ratios up to 1000. The model is then used to simulate droplet deformation and breakup in simple shear flow. We compute droplet deformation at small capillary numbers in the Stokes regime and find excellent agreement with the theoretical Taylor relation for the segregation parameter β=0.7. In the limit of creeping flow, droplet breakup occurs at a critical capillary number 0.35simulations and experiments. Droplet breakup can also be promoted by increasing the Reynolds number. Finally, we numerically investigate a single bubble rising under buoyancy force in viscous fluids for a wide range of Eötvös and Morton numbers. Numerical results are compared with theoretical predictions and experimental results, and satisfactory agreement is shown. PMID:22680576

  8. Exploring corner transfer matrices and corner tensors for the classical simulation of quantum lattice systems

    NASA Astrophysics Data System (ADS)

    Orús, Román

    2012-05-01

    In this paper we explore the practical use of the corner transfer matrix and its higher-dimensional generalization, the corner tensor, to develop tensor network algorithms for the classical simulation of quantum lattice systems of infinite size. This exploration is done mainly in one and two spatial dimensions (1D and 2D). We describe a number of numerical algorithms based on corner matrices and tensors to approximate different ground-state properties of these systems. The proposed methods also make use of matrix product operators and projected entangled pair operators and naturally preserve spatial symmetries of the system such as translation invariance. In order to assess the validity of our algorithms, we provide preliminary benchmarking calculations for the spin-1/2 quantum Ising model in a transverse field in both 1D and 2D. Our methods are a plausible alternative to other well-established tensor network approaches such as iDMRG and iTEBD in 1D, and iPEPS and TERG in 2D. The computational complexity of the proposed algorithms is also considered and, in 2D, important differences are found depending on the chosen simulation scheme. We also discuss further possibilities, such as 3D quantum lattice systems, periodic boundary conditions, and real-time evolution. This discussion leads us to reinterpret the standard iTEBD and iPEPS algorithms in terms of corner transfer matrices and corner tensors. Our paper also offers a perspective on many properties of the corner transfer matrix and its higher-dimensional generalizations in the light of novel tensor network methods.

  9. Three-dimensional lattice Boltzmann model for immiscible two-phase flow simulations

    NASA Astrophysics Data System (ADS)

    Liu, Haihu; Valocchi, Albert J.; Kang, Qinjun

    2012-04-01

    We present an improved three-dimensional 19-velocity lattice Boltzmann model for immisicible binary fluids with variable viscosity and density ratios. This model uses a perturbation step to generate the interfacial tension and a recoloring step to promote phase segregation and maintain surfaces. A generalized perturbation operator is derived using the concept of a continuum surface force together with the constraints of mass and momentum conservation. A theoretical expression for the interfacial tension is determined directly without any additional analysis and assumptions. The recoloring algorithm proposed by Latva-Kokko and Rothman is applied for phase segregation, which minimizes the spurious velocities and removes lattice pinning. This model is first validated against the Laplace law for a stationary bubble. It is found that the interfacial tension is predicted well for density ratios up to 1000. The model is then used to simulate droplet deformation and breakup in simple shear flow. We compute droplet deformation at small capillary numbers in the Stokes regime and find excellent agreement with the theoretical Taylor relation for the segregation parameter β=0.7. In the limit of creeping flow, droplet breakup occurs at a critical capillary number 0.35simulations and experiments. Droplet breakup can also be promoted by increasing the Reynolds number. Finally, we numerically investigate a single bubble rising under buoyancy force in viscous fluids for a wide range of Eötvös and Morton numbers. Numerical results are compared with theoretical predictions and experimental results, and satisfactory agreement is shown.

  10. Theory and lattice Boltzmann simulations of rapidly oscillating flows: Application to nanofluidics

    NASA Astrophysics Data System (ADS)

    Colosqui, Carlos Esteban

    This dissertation investigates oscillating flows of simple fluids in a wide range of frequency and density variation. Understanding these flows is of fundamental importance for state-of-the-art engineering applications such as nano/microelectromechanical systems (N/MEMS) operating in diverse fluidic environments. A fluid weakly perturbed from thermodynamic equilibrium relaxes back to equilibrium state on a time scale tau ˜lambda/ cs. In the low frequency limit tauo << 1 a predominantly viscous behavior is accurately predicted by the Navier-Stokes equations. We demonstrate that in the high-frequency limit tauo >> 1 a novel transition to viscoelastic flow occurs. The viscoelastic flow of simple fluids is mathematically described via analytical solution of the Boltzmann-BGK equation of kinetic gas theory. Theoretically predicted phenomena are numerically simulated via kinetic-based approaches (i.e. high-order lattice Boltzmann methods) and observed in physical experiments with nanomechanical resonators operating over a wide pressure (10-1 ≤ p ≤ 103torr) and frequency range (103 ≤ o ≤ 108sec-1). The principal results of this dissertation are: (1) We state that the limit tauo >> 1 of high-frequency flows is governed by a damped-wave equation (i.e. the telegraph equation); (2) A universal function for the energy dissipation rate in the entire range of frequency and pressure variation is derived and favorably compared against experimental and numerical data; (3) The derived extended hydrodynamic description predicts a novel viscoelastic transition of simple fluids that holds fundamental importance from both scientific and technological standpoints. (4) We prove that high-order lattice Boltzmann schemes employing finite Hermite expansions of the Boltzmann distribution and proper regularization procedures can accurately represent macroscopic physics of the investigated flows. (5) Qualitative and quantitative agreement between theory, simulation and experiment

  11. Lattice Boltzmann method simulations of Stokes number effects on particle motion in a channel flow

    NASA Astrophysics Data System (ADS)

    Zhang, Lenan; Jebakumar, Anand Samuel; Abraham, John

    2016-06-01

    In a recent experimental study by Lau and Nathan ["Influence of Stokes number on the velocity and concentration distributions in particle-laden jets," J. Fluid Mech. 757, 432 (2014)], it was found that particles in a turbulent pipe flow tend to migrate preferentially toward the wall or the axis depending on their Stokes number (St). Particles with a higher St (>10) are concentrated near the axis while those with lower St (<1) move toward the walls. Jebakumar et al. ["Lattice Boltzmann method simulations of Stokes number effects on particle trajectories in a wall-bounded flow," Comput. Fluids 124, 208 (2016)] have carried out simulations of a particle in a laminar channel flow to investigate this behavior. In their work, they report a similar behavior where particles with low St migrate toward the wall and oscillate about a mean position near the wall while those with high St oscillate about the channel center plane. They have explained this behavior in terms of the Saffman lift, Magnus lift, and wall repulsion forces acting on the particle. The present work extends the previous work done by Jebakumar et al. and aims to study the behavior of particles at intermediate St ranging from 10 to 20. It is in this range where the equilibrium position of the particle changes from near the wall to the axis and the particle starts oscillating about the axis. The Lattice Boltzmann method is employed to carry out this study. It is shown that the change in mean equilibrium position is related to increasing oscillations of the particle with mean position near the wall which results in the particle moving past the center plane to the opposite side. The responsible mechanisms are explained in detail.

  12. tmLQCD: A program suite to simulate Wilson twisted mass lattice QCD

    NASA Astrophysics Data System (ADS)

    Jansen, Karl; Urbach, Carsten

    2009-12-01

    We discuss a program suite for simulating Quantum Chromodynamics on a 4-dimensional space-time lattice. The basic Hybrid Monte Carlo algorithm is introduced and a number of algorithmic improvements are explained. We then discuss the implementations of these concepts as well as our parallelisation strategy in the actual simulation code. Finally, we provide a user guide to compile and run the program. Program summaryProgram title: tmLQCD Catalogue identifier: AEEH_v1_0 Program summary URL::http://cpc.cs.qub.ac.uk/summaries/AEEH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public Licence (GPL) No. of lines in distributed program, including test data, etc.: 122 768 No. of bytes in distributed program, including test data, etc.: 931 042 Distribution format: tar.gz Programming language: C and MPI Computer: any Operating system: any with a standard C compiler Has the code been vectorised or parallelised?: Yes. One or optionally any even number of processors may be used. Tested with up to 32 768 processors RAM: no typical values available Classification: 11.5 External routines: LAPACK [1] and LIME [2] library Nature of problem: Quantum Chromodynamics Solution method: Markov Chain Monte Carlo using the Hybrid Monte Carlo algorithm with mass preconditioning and multiple time scales [3]. Iterative solver for large systems of linear equations. Restrictions: Restricted to an even number of (not necessarily mass degenerate) quark flavours in the Wilson or Wilson twisted mass formulation of lattice QCD. Running time: Depending on the problem size, the architecture and the input parameters from a few minutes to weeks. References:http://www.netlib.org/lapack/. USQCD, http://usqcd.jlab.org/usqcd-docs/c-lime/. C. Urbach, K. Jansen, A. Shindler, U. Wenger, Comput. Phys. Commun. 174 (2006) 87, hep-lat/0506011.

  13. Mixed micellization of gemini and conventional surfactant in aqueous solution: a lattice Monte Carlo simulation.

    PubMed

    Gharibi, Hussein; Khodadadi, Zahra; Mousavi-Khoshdel, S Morteza; Hashemianzadeh, S Majid; Javadian, Soheila

    2014-09-01

    In the current study, we have investigated the micellization of pure gemini surfactants and a mixture of gemini and conventional surfactants using a 3D lattice Monte Carlo simulation method. For the pure gemini surfactant system, the effects of tail length on CMC and aggregation number were studied, and the simulation results were found to be in excellent agreement with the experimental results. For a mixture of gemini and conventional surfactants, variations in the mixed CMC, interaction parameter β, and excess Gibbs free energy G(E) with composition revealed synergism in micelle formation. Simulation results were compared to estimations made using regular solution theory to determine the applicability of this theory for non-ideal mixed surfactant systems. A large discrepancy was observed between the behavior of parameters such as the activity coefficients fi and the excess Gibbs free energy G(E) and the expected behavior of these parameters as predicted by regular solution theory. Therefore, we have used the modified version of regular solution theory. This three parameter model contains two parameters in addition to the interaction parameters: the size parameter, ρ, which reflects differences in the size of components, and the packing parameter, P*, which reflects nonrandom mixing in mixed micelles. The proposed model provides a good description of the behavior of gemini and conventional surfactant mixtures. The results indicated that as the chain length of gemini surfactants in mixture is increased, the size parameter remains constant while the interaction and packing parameters increase. PMID:25218241

  14. Lattice Boltzmann Simulation of Shale Gas Transport in Organic Nano-Pores

    PubMed Central

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

    2014-01-01

    Permeability is a key parameter for investigating the flow ability of sedimentary rocks. The conventional model for calculating permeability is derived from Darcy's law, which is valid only for continuum flow in porous rocks. We discussed the feasibility of simulating methane transport characteristics in the organic nano-pores of shale through the Lattice Boltzmann method (LBM). As a first attempt, the effects of high Knudsen number and the associated slip flow are considered, whereas the effect of adsorption in the capillary tube is left for future work. Simulation results show that at small Knudsen number, LBM results agree well with Poiseuille's law, and flow rate (flow capacity) is proportional to the square of the pore scale. At higher Knudsen numbers, the relaxation time needs to be corrected. In addition, velocity increases as the slip effect causes non negligible velocities on the pore wall, thereby enhancing the flow rate inside the pore, i.e., the permeability. Therefore, the LBM simulation of gas flow characteristics in organic nano-pores provides an effective way of evaluating the permeability of gas-bearing shale. PMID:24784022

  15. Lattice Boltzmann simulations of 2D laminar flows past two tandem cylinders

    NASA Astrophysics Data System (ADS)

    Mussa, Alberto; Asinari, Pietro; Luo, Li-Shi

    2009-03-01

    We apply the lattice Boltzmann equation (LBE) with multiple-relaxation-time (MRT) collision model to simulate laminar flows in two-dimensions (2D). In order to simulate flows in an unbounded domain with the LBE method, we need to address two issues: stretched non-uniform mesh and inflow and outflow boundary conditions. We use the interpolated grid stretching method to address the need of non-uniform mesh. We demonstrate that various inflow and outflow boundary conditions can be easily and consistently realized with the MRT-LBE. The MRT-LBE with non-uniform stretched grids is first validated with a number of test cases: the Poiseuille flow, the flow past a cylinder asymmetrically placed in a channel, and the flow past a cylinder in an unbounded domain. We use the LBE method to simulate the flow past two tandem cylinders in an unbounded domain with Re = 100. Our results agree well with existing ones. Through this work we demonstrate the effectiveness of the MRT-LBE method with grid stretching.

  16. Lattice Boltzmann simulation of shale gas transport in organic nano-pores.

    PubMed

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

    2014-01-01

    Permeability is a key parameter for investigating the flow ability of sedimentary rocks. The conventional model for calculating permeability is derived from Darcy's law, which is valid only for continuum flow in porous rocks. We discussed the feasibility of simulating methane transport characteristics in the organic nano-pores of shale through the Lattice Boltzmann method (LBM). As a first attempt, the effects of high Knudsen number and the associated slip flow are considered, whereas the effect of adsorption in the capillary tube is left for future work. Simulation results show that at small Knudsen number, LBM results agree well with Poiseuille's law, and flow rate (flow capacity) is proportional to the square of the pore scale. At higher Knudsen numbers, the relaxation time needs to be corrected. In addition, velocity increases as the slip effect causes non negligible velocities on the pore wall, thereby enhancing the flow rate inside the pore, i.e., the permeability. Therefore, the LBM simulation of gas flow characteristics in organic nano-pores provides an effective way of evaluating the permeability of gas-bearing shale. PMID:24784022

  17. Predictive simulation of wind turbine wake interaction with an adaptive lattice Boltzmann method for moving boundaries

    NASA Astrophysics Data System (ADS)

    Deiterding, Ralf; Wood, Stephen L.

    2015-11-01

    Operating horizontal axis wind turbines create large-scale turbulent wake structures that affect the power output of downwind turbines considerably. The computational prediction of this phenomenon is challenging as efficient low dissipation schemes are necessary that represent the vorticity production by the moving structures accurately and are able to transport wakes without significant artificial decay over distances of several rotor diameters. We have developed the first version of a parallel adaptive lattice Boltzmann method for large eddy simulation of turbulent weakly compressible flows with embedded moving structures that considers these requirements rather naturally and enables first principle simulations of wake-turbine interaction phenomena at reasonable computational costs. The presentation will describe the employed algorithms and present relevant verification and validation computations. For instance, power and thrust coefficients of a Vestas V27 turbine are predicted within 5% of the manufacturer's specifications. Simulations of three Vestas V27-225kW turbines in triangular arrangement analyze the reduction in power production due to upstream wake generation for different inflow conditions.

  18. Simulation of flow in the microcirculation using a hybrid Lattice-Boltzman and Finite Element algorithm

    NASA Astrophysics Data System (ADS)

    Gonzalez-Mancera, Andres; Gonzalez Cardenas, Diego

    2014-11-01

    Flow in the microcirculation is highly dependent on the mechanical properties of the cells suspended in the plasma. Red blood cells have to deform in order to pass through the smaller sections in the microcirculation. Certain deceases change the mechanical properties of red blood cells affecting its ability to deform and the rheological behaviour of blood. We developed a hybrid algorithm based on the Lattice-Boltzmann and Finite Element methods to simulate blood flow in small capillaries. Plasma was modeled as a Newtonian fluid and the red blood cells' membrane as a hyperelastic solid. The fluid-structure interaction was handled using the immersed boundary method. We simulated the flow of plasma with suspended red blood cells through cylindrical capillaries and measured the pressure drop as a function of the membrane's rigidity. We also simulated the flow through capillaries with a restriction and identify critical properties for which the suspended particles are unable to flow. The algorithm output was verified by reproducing certain common features of flow int he microcirculation such as the Fahraeus-Lindqvist effect.

  19. Lattice-Boltzmann simulations of three-dimensional fluid flow on a desktop computer.

    PubMed

    Brewster, Jeffrey D

    2007-04-01

    The lattice-Boltzmann (LB) method is a cellular automaton approach to simulating fluid flow with many advantages over conventional methods based on the Navier-Stokes equations. It is conceptually simple, amenable to a wide array of boundary conditions, and can be adapted to handle thermal, density, miscibility, and other effects. The LB approach has been used to model a number of fluid systems of interest to analytical chemists, including chromatography columns, micromixers, and electroosmotic pumps. However, widespread use of this tool has been limited, in part because virtually all large-scale 3D simulations in the literature have been executed on supercomputers. This work demonstrates that such simulations can be executed in reasonable periods of time (hours) on a desktop computer using a cross-platform software package that is easy to learn and use. This package incorporates several improvements that enhance the utility of the LB approach, including an algorithm for speeding common calculations by 2 orders of magnitude and a scheme for handling convection-diffusion equations of interest in electrochemical and surface reaction studies. PMID:17319648

  20. Fluctuation/Correlation Effects on the Phase Behavior of Incompressible Polymer Blends Quantified by Fast Lattice Monte Carlo Simulations

    NASA Astrophysics Data System (ADS)

    Zhang, Pengfei; Wang, Qiang

    2014-03-01

    Fast lattice Monte Carlo (FLMC) simulations [Q. Wang, Soft Matter 5, 4564 (2009); 6, 6206 (2010)] with multiple occupancy of lattice sites and Kronecker δ-function interactions give orders of magnitude faster/better sampling of configuration space for many-chain systems than conventional lattice MC simulations with the self- and mutual- avoiding walk and nearest-neighbor interactions. Adapting the cooperative motion algorithm to a lattice with multiple occupancy, we studied incompressible and symmetric binary polymer blends using FLMC simulations in a semi-grand canonical ensemble with replica exchange and multiple histogram reweighting, and performed finite-size scaling analysis of our simulation results. Comparing the critical point and binodal curve obtained from FLMC simulations with the predictions from the corresponding Flory-Huggins (FH) and Gaussian-fluctuation (GF) theories, all based on the same model system and thus without any parameter-fitting, we unambiguously quantified the effects of fluctuations/correlations neglected in FH theory and treated approximately in GF theory.

  1. Shape changes of bioprinted tissue constructs simulated by the Lattice Boltzmann method.

    PubMed

    Cristea, Artur; Neagu, Adrian

    2016-03-01

    Tissue engineers seek to build living tissue constructs for replacing or repairing damaged tissues. Computational methods foster tissue engineering by pointing out dominant mechanisms involved in shaping multicellular systems. Here we apply the Lattice Boltzmann (LB) method to study the fusion of multicellular constructs. This process is of interest in bioprinting, in which multicellular spheroids or cylinders are embedded in a supportive hydrogel by a computer-controlled device. We simulated post-printing rearrangements of cells, aiming to predict the shape and stability of certain printed structures. To this end, we developed a two-dimensional LB model of a multicellular system in a hydrogel. Our parallel computing code was implemented using the Portable Extensible Toolkit for Scientific Computation (PETSc). To validate the LB model, we simulated the fusion of multicellular cylinders in a contiguous, hexagonal arrangement. Our two-dimensional LB simulation describes the evolution of the transversal cross section of the construct built from three-dimensional multicellular cylinders whose length is much larger than their diameter. Fusion eventually gave rise to a tubular construct, in qualitative agreement with bioprinting experiments. Then we simulated the time course of a defect in a bioprinted tube. To address practical problems encountered in tissue engineering, we also simulated the evolution of a planar construct, as well as of a bulky, perfusable construct made of multicellular cylinders. The agreement with experiments indicates that our LB model captures certain essential features of morphogenesis, and, therefore, it may be used to test new working hypotheses faster and cheaper than in the laboratory. PMID:26803291

  2. A Lattice Boltzmann model for simulating water flow at pore scale in unsaturated soils

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoxian; Crawford, John W.; Young, Iain M.

    2016-07-01

    The Lattice Boltzmann (LB) method is an established prominent model for simulating water flow at pore scale in saturated porous media. However, its application in unsaturated soil is less satisfactory because of the difficulties associated with most two-phase LB models in simulating immiscible fluids, such as water and air, which have contrasting densities and viscosities. While progress has been made in developing LB models for fluids with high density ratio, they are still prone to numerical instability and cannot accurately describe the interfacial friction on water-air interface in unsaturated media. Considering that one important application of the LB model in porous materials is to calculate their hydraulic properties when flow is at steady state, we develop a simple LB model to simulate steady water flow at pore scale in unsaturated soils. The method consists of two steps. The first one is to determine water distribution within the soil structure using a morphological model; once the water distribution is known, its interfaces with air are fixed. The second step is to use a single-phase LB model to simulate water flow by treating the water-air interfaces as free-flow boundaries where the shear resistance of air to water flow is assumed to be negligible. We propose a method to solve such free-flow boundaries, and validate the model against analytical solutions of flows of water film over non-slip walls in both two and three dimensions. We then apply the model to calculate water retention and hydraulic properties of a medium acquired using X-ray computed tomography at resolution of 6 μm. The model is quasi-static, similar to the porous network model, but is an improvement as it directly simulates water flow in the pore geometries acquired by tomography without making any further simplifications.

  3. Alternative curved-boundary treatment for the lattice Boltzmann method and its application in simulation of flow and potential fields.

    PubMed

    Mohammadipoor, O R; Niazmand, H; Mirbozorgi, S A

    2014-01-01

    Since the lattice Boltzmann method originally carries out the simulations on the regular Cartesian lattices, curved boundaries are often approximated as a series of stair steps. The most commonly employed technique for resolving curved-boundary problems is extrapolating or interpolating macroscopic properties of boundary nodes. Previous investigations have indicated that using more than one equation for extrapolation or interpolation in boundary conditions potentially causes abrupt changes in particle distributions. Therefore, a curved-boundary treatment is introduced to improve computational accuracy of the conventional stair-shaped approximation used in lattice Boltzmann simulations by using a unified equation for extrapolation of macroscopic variables. This boundary condition is not limited to fluid flow and can be extended to potential fields. The proposed treatment is tested against several well-established problems and the solutions order of accuracy is evaluated. Numerical results show that the present treatment is of second-order accuracy and has reliable stability characteristics. PMID:24580362

  4. Excited and exotic charmonium spectroscopy from lattice QCD

    SciTech Connect

    Liu, L; Peardon, M J; Ryan, S M; Thomas, C; Vilaseca, P; Dudek, J; Edwards, R; Joo, B; Richards, D G

    2012-12-01

    We study the charmonium spectrum in full QCD on anisotropic lattices generated by Hadron Spectrum Collaboration. We adopt a large basis of interpolating operators to extract the excited charmonium states using the variational method. A detailed spectrum of excited charmonium mesons in many J{sup PC} channels is obtained. Some exotic hybrid states ( with J{sup PC} = 0{sup +-} , 1{sup -+} , 2{sup +-}) are also studied

  5. Lattice Boltzmann Simulation of Multiphase Transport in Nanostructured PEM Fuel Cells

    NASA Astrophysics Data System (ADS)

    Stiles, Christopher D.

    As the fossil fuel crisis becomes more critical, it is imperative to develop renewable sources of power generation. Polymer electrolyte membrane (PEM) fuel cells are considered a viable option. However, the cost of the platinum catalyst has hindered their commercialization. PEM fuel cells with platinum loading of >0.4 mg cm2 are common. Efforts towards further reducing this loading are currently underway utilizing nanostructured electrodes. A consequence of increased platinum utilization per unit area and thinner nanostructured electrodes is flooding, which is detrimental to fuel cell performance. Flooding causes a two-fold impact on cell performance: a drop in cell voltage and a rise in parasitic pumping power to overcome the increased pressure drop, which together result in a significant reduction in system efficiency. Proper water management is therefore crucial for optimum performance of the fuel cell and also for enhancing membrane durability. The goal of this thesis is to simulate the multiphase fluid transport in the nanostructured PEMFC of H2O in air with realistic density ratios. In order to pursue this goal, the ability of the pseudopotential based multiphase lattice Boltzmann method to realistically model the coexistence of the gas and liquid phases of H2O at low temperatures is explored. This method is expanded to include a gas mixture of O2 and N 2 into the multiphase H2O systems. Beginning with the examination of the phase transition region described by the current implementation of the multiphase pseudopotential lattice Boltzmann model. Following this, a modified form of the pressure term with the use of a scalar multiplier kappa for the Peng-Robinson equation of state is thoroughly investigated. This method proves to be very effective at enabling numerically stable simulations at low temperatures with large density ratios. It is found that for decreasing values of kappa, this model leads to an increase in multiphase interface thickness and a

  6. Lattice-automaton bioturbation simulator (LABS): implementation for small deposit feeders

    NASA Astrophysics Data System (ADS)

    Choi, Jae; Francois-Carcaillet, Fréderique; Boudreau, Bernard P.

    2002-02-01

    A new model for biological activity and its effects in sediments is presented. Sediment is represented as a random 2D collection of solid and water "particles", distributed on a regular lattice with individually assigned chemical, biological and physical properties, e.g. food versus inert material. Model benthic organisms move through the lattice (the virtual sediment) as programmable entities, i.e., automatons, by displacing or ingesting-defecating particles. Each type of automaton obeys a different set of rules, both deterministic and stochastic, designed to mimic real infauna. In the present version of the model code, the organisms are simple small deposit feeders, resembling capitellids. The results from the model are 2D visualizations of the movement of the animals and the particles with time. The latter provide immediate appreciation of the consequences of animal actions on sediment fabric and composition, including both the mixing, traditionally associated with bioturbation, and the development of biologically-induced heterogeneities, which are observed in real sediments. The output is readily amenable to presentation as computer-generated (QuickTime TM) movies, for which links are provided to such examples. As a particular case, we present a simulation of the mixing of a sand plug in a muddy sediment which shows that this is process not accomplished by counter-diffusion of sand and mud but by displacement and dilution of the sand with mud that is defecated as feces therein; this mode of mixing appears to be far more favorable to preservation of this sand feature than traditional diffusive models.

  7. Lattice Boltzmann simulation of heat transfer and fluid flow in a microchannel with nanofluids

    NASA Astrophysics Data System (ADS)

    Yang, Yue-Tzu; Lai, Feng-Hsiang

    2011-10-01

    Mathematical modeling is performed to simulate forced convection flow of 47 nm- Al2O3/water nanofluids in a microchannel using the lattice Boltzmann method (LBM). Single channel flow and conjugate heat transfer problem are taken into consideration and the heat transfer rate using a nanofluid is examined. Simulations are conducted at low Reynolds numbers (2 ≤ Re ≤ 16). The computed average Nusselt number, which is associated with the thermal conductivity of nanofluid, is in the range of 0.6 le overline{Nu} le 13 . Results indicate that the average Nusselt number increases with the increase of Reynolds number and particle volume concentration. The fluid temperature distribution is more uniform with the use of nanofluid than that of pure water. Furthermore, great deviations of computed Nusselt numbers using different models associated with the physical properties of a nanofluid are revealed. The results of LBM agree well with the classical CFD method for predictions of flow and heat transfer in a single channel and a microchannel heat sink concerning the conjugate heat transfer problem, and consequently LBM is robust and promising for practical applications.

  8. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

    SciTech Connect

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-28

    Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.

  9. Continuous surface force based lattice Boltzmann equation method for simulating thermocapillary flow

    NASA Astrophysics Data System (ADS)

    Zheng, Lin; Zheng, Song; Zhai, Qinglan

    2016-02-01

    In this paper, we extend a lattice Boltzmann equation (LBE) with continuous surface force (CSF) to simulate thermocapillary flows. The model is designed on our previous CSF LBE for athermal two phase flow, in which the interfacial tension forces and the Marangoni stresses as the results of the interface interactions between different phases are described by a conception of CSF. In this model, the sharp interfaces between different phases are separated by a narrow transition layers, and the kinetics and morphology evolution of phase separation would be characterized by an order parameter via Cahn-Hilliard equation which is solved in the frame work of LBE. The scalar convection-diffusion equation for temperature field is resolved by thermal LBE. The models are validated by thermal two layered Poiseuille flow, and two superimposed planar fluids at negligibly small Reynolds and Marangoni numbers for the thermocapillary driven convection, which have analytical solutions for the velocity and temperature. Then thermocapillary migration of two/three dimensional deformable droplet are simulated. Numerical results show that the predictions of present LBE agreed with the analytical solution/other numerical results.

  10. Lattice-Boltzmann simulations of the drag force on a sphere approaching a superhydrophobic striped plane

    NASA Astrophysics Data System (ADS)

    Dubov, Alexander L.; Schmieschek, Sebastian; Asmolov, Evgeny S.; Harting, Jens; Vinogradova, Olga I.

    2014-01-01

    By means of lattice-Boltzmann simulations the drag force on a sphere of radius R approaching a superhydrophobic striped wall has been investigated as a function of arbitrary separation h. Superhydrophobic (perfect-slip vs. no-slip) stripes are characterized by a texture period L and a fraction of the gas area ϕ. For very large values of h/R, we recover the macroscopic formulae for a sphere moving towards a hydrophilic no-slip plane. For h/R = O(1), the drag force is smaller than predicted by classical theories for hydrophilic no-slip surfaces, but larger than expected for a sphere interacting with a uniform perfectly slipping wall. At a thinner gap, h ≪ R the force reduction compared to a classical result becomes more pronounced, and is maximized by increasing ϕ. In the limit of very small separations, our simulation data are in quantitative agreement with an asymptotic equation, which relates a correction to a force for superhydrophobic slip to texture parameters. In addition, we examine the flow and pressure field and observe their oscillatory character in the transverse direction in the vicinity of the wall, which reflects the influence of the heterogeneity and anisotropy of the striped texture. Finally, we investigate the lateral force on the sphere, which is detectable in case of very small separations and is maximized by stripes with ϕ = 0.5.

  11. KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations

    NASA Astrophysics Data System (ADS)

    Leetmaa, Mikael; Skorodumova, Natalia V.

    2014-09-01

    KMCLib is a general framework for lattice kinetic Monte Carlo (KMC) simulations. The program can handle simulations of the diffusion and reaction of millions of particles in one, two, or three dimensions, and is designed to be easily extended and customized by the user to allow for the development of complex custom KMC models for specific systems without having to modify the core functionality of the program. Analysis modules and on-the-fly elementary step diffusion rate calculations can be implemented as plugins following a well-defined API. The plugin modules are loosely coupled to the core KMCLib program via the Python scripting language. KMCLib is written as a Python module with a backend C++ library. After initial compilation of the backend library KMCLib is used as a Python module; input to the program is given as a Python script executed using a standard Python interpreter. We give a detailed description of the features and implementation of the code and demonstrate its scaling behavior and parallel performance with a simple one-dimensional A-B-C lattice KMC model and a more complex three-dimensional lattice KMC model of oxygen-vacancy diffusion in a fluorite structured metal oxide. KMCLib can keep track of individual particle movements and includes tools for mean square displacement analysis, and is therefore particularly well suited for studying diffusion processes at surfaces and in solids. Catalogue identifier: AESZ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AESZ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 49 064 No. of bytes in distributed program, including test data, etc.: 1 575 172 Distribution format: tar.gz Programming language: Python and C++. Computer: Any computer that can run a C++ compiler and a Python interpreter. Operating system: Tested on Ubuntu 12

  12. LBM-EP: Lattice-Boltzmann method for fast cardiac electrophysiology simulation from 3D images.

    PubMed

    Rapaka, S; Mansi, T; Georgescu, B; Pop, M; Wright, G A; Kamen, A; Comaniciu, Dorin

    2012-01-01

    Current treatments of heart rhythm troubles require careful planning and guidance for optimal outcomes. Computational models of cardiac electrophysiology are being proposed for therapy planning but current approaches are either too simplified or too computationally intensive for patient-specific simulations in clinical practice. This paper presents a novel approach, LBM-EP, to solve any type of mono-domain cardiac electrophysiology models at near real-time that is especially tailored for patient-specific simulations. The domain is discretized on a Cartesian grid with a level-set representation of patient's heart geometry, previously estimated from images automatically. The cell model is calculated node-wise, while the transmembrane potential is diffused using Lattice-Boltzmann method within the domain defined by the level-set. Experiments on synthetic cases, on a data set from CESC'10 and on one patient with myocardium scar showed that LBM-EP provides results comparable to an FEM implementation, while being 10 - 45 times faster. Fast, accurate, scalable and requiring no specific meshing, LBM-EP paves the way to efficient and detailed models of cardiac electrophysiology for therapy planning. PMID:23286029

  13. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

    NASA Astrophysics Data System (ADS)

    Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

  14. Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media.

    PubMed

    Zhou, L; Qu, Z G; Ding, T; Miao, J Y

    2016-04-01

    The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems. PMID:27176384

  15. Lattice Boltzmann Simulation of Directed Assembly in Nano-Colloidal Systems

    NASA Astrophysics Data System (ADS)

    Abuzaid, Mohammad; Sun, Ying

    2007-11-01

    Suspensions of nano-sized colloids have received great attention for their broad applications in printable electronics, photonics, thin film processing, thermal management, etc. The properties of colloidal suspensions are often influenced by the interplay of the electrostatic repulsion, van der Waals attraction, depletion forces, hydrodynamic interaction, Brownian motion, diffusion, and gravity. In many applications, it is desirable to have ordered nanostructures, which can be achieved by electro-hydrodynamically directed particle assembly. In this paper, a Lattice Boltzmann scheme is used for direct numerical simulation of particle-particle and particle-field interactions in nano-colloidal systems under flow and electric fields. The interaction between particles and fluid is simulated via a mass conserving second-order bounce-back scheme. The aggregation rate of colloidal suspensions is investigated as a function of the fluid velocity and pressure, electric potential, electrode geometry, particle size and volume fraction, temperature, sedimentation effect, and other properties of both the particles and the carrier fluid. The influence of colloid size on various interaction forces is examined in detail. The design protocols for tuning colloidal suspensions under different electro-hydrodynamic field conditions are discussed for nanocrystalline thin film processing and nanofluids for thermal management.

  16. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity

    NASA Astrophysics Data System (ADS)

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-01

    Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.

  17. A general method for spatially coarse-graining Metropolis Monte Carlo simulations onto a lattice

    NASA Astrophysics Data System (ADS)

    Liu, Xiao; Seider, Warren D.; Sinno, Talid

    2013-03-01

    A recently introduced method for coarse-graining standard continuous Metropolis Monte Carlo simulations of atomic or molecular fluids onto a rigid lattice of variable scale [X. Liu, W. D. Seider, and T. Sinno, Phys. Rev. E 86, 026708 (2012)], 10.1103/PhysRevE.86.026708 is further analyzed and extended. The coarse-grained Metropolis Monte Carlo technique is demonstrated to be highly consistent with the underlying full-resolution problem using a series of detailed comparisons, including vapor-liquid equilibrium phase envelopes and spatial density distributions for the Lennard-Jones argon and simple point charge water models. In addition, the principal computational bottleneck associated with computing a coarse-grained interaction function for evolving particle positions on the discretized domain is addressed by the introduction of new closure approximations. In particular, it is shown that the coarse-grained potential, which is generally a function of temperature and coarse-graining level, can be computed at multiple temperatures and scales using a single set of free energy calculations. The computational performance of the method relative to standard Monte Carlo simulation is also discussed.

  18. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

    DOE PAGESBeta

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-28

    Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

  19. Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

    NASA Technical Reports Server (NTRS)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  20. Capillary filling and Haines jump dynamics using free energy Lattice Boltzmann simulations

    NASA Astrophysics Data System (ADS)

    Zacharoudiou, Ioannis; Boek, Edo S.

    2016-06-01

    We investigate numerically the dynamics of capillary filling and Haines jump events using free energy Lattice Boltzmann (LB) simulations. Both processes are potentially important multi-phase pore-scale flow processes for geological CO2 sequestration and oil recovery. We first focus on capillary filling and demonstrate that the numerical method can capture the correct dynamics in the limit of long times for both high and low viscosity ratios, i.e. the method gives the correct scaling for the length of the penetrating fluid column as a function of time. Examining further the early times of capillary filling, three consecutive length vs. time regimes have been observed, in agreement with available experimental work in the literature. In addition, we carry out simulations of Haines jump events in idealised and realistic rock pore geometries. We observe that the Haines jump events are cooperative, non-local and associated with both drainage and imbibition dynamics. Our observations show that the pore filling dynamics is controlled by the Ohnesorge number, associated with the balance between viscous forces and inertial / surface tension forces. Using this concept, we are able to identify the type of pore filling dynamics that will occur.

  1. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity

    PubMed Central

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-01

    Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed. PMID:25627247

  2. Hybrid Lattice Boltzmann/Finite Difference simulations of viscoelastic multicomponent flows in confined geometries

    NASA Astrophysics Data System (ADS)

    Gupta, A.; Sbragaglia, M.; Scagliarini, A.

    2015-06-01

    We propose numerical simulations of viscoelastic fluids based on a hybrid algorithm combining Lattice-Boltzmann models (LBM) and Finite Differences (FD) schemes, the former used to model the macroscopic hydrodynamic equations, and the latter used to model the polymer dynamics. The kinetics of the polymers is introduced using constitutive equations for viscoelastic fluids with finitely extensible non-linear elastic dumbbells with Peterlin's closure (FENE-P). The numerical model is first benchmarked by characterizing the rheological behavior of dilute homogeneous solutions in various configurations, including steady shear, elongational flows, transient shear and oscillatory flows. As an upgrade of complexity, we study the model in presence of non-ideal multicomponent interfaces, where immiscibility is introduced in the LBM description using the "Shan-Chen" interaction model. The problem of a confined viscoelastic (Newtonian) droplet in a Newtonian (viscoelastic) matrix under simple shear is investigated and numerical results are compared with the predictions of various theoretical models. The proposed numerical simulations explore problems where the capabilities of LBM were never quantified before.

  3. Lattice Boltzmann simulation of gas-solid adsorption processes at pore scale level

    NASA Astrophysics Data System (ADS)

    Zhou, L.; Qu, Z. G.; Chen, L.; Tao, W. Q.

    2015-11-01

    A two-dimensional lattice Boltzmann (LB) approach was established to implement kinetic concentration boundary conditions in interfacial mass-transfer processes and to simulate the adsorption process in porous media at pore scale and mesoscopic levels. A general treatment was applied to conduct three types of concentration boundary conditions effectively and accurately. Applicability for adsorption was verified by two benchmark examples, which were representative of the interparticle mass transport and intraparticle mass transport in the adsorption system, respectively. The gas-solid adsorption process in reconstructed porous media at the pore scale level was numerically investigated. Mass-transfer processes of the adsorption reaction were simulated by executing Langmuir adsorption kinetics on surfaces of adsorbent particles. Meanwhile, the homogeneous solid diffusion model (HSDM) was used for mass transport in interior particles. The transient adsorbed amount was obtained in detail, and the impact of flow condition, porosity, and adsorbent particle size on the entire dynamic adsorption performance was investigated. The time needed to approach steady state decreased with increased fluid velocity. Transient adsorption capability and time consumption to equilibrium were nearly independent of porosity, whereas increasing pore size led to a moderating adsorption rate and more time was consumed to approach the saturation adsorption. Benefiting from the advantages of the LB method, both bulk and intraparticle mass transfer performances during adsorption can be obtained using the present pore scale approach. Thus, interparticle mass transfer and intraparticle mass transfer are the two primary segments, and intraparticle diffusion has the dominant role.

  4. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity.

    PubMed

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S; Yao, Jun; Tao, Wenquan

    2015-01-01

    Porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsic permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. For the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed. PMID:25627247

  5. Lattice Boltzmann simulation of thermofluidic transport phenomena in a DC magnetohydrodynamic (MHD) micropump.

    PubMed

    Chatterjee, Dipankar; Amiroudine, Sakir

    2011-02-01

    A comprehensive non-isothermal Lattice Boltzmann (LB) algorithm is proposed in this article to simulate the thermofluidic transport phenomena encountered in a direct-current (DC) magnetohydrodynamic (MHD) micropump. Inside the pump, an electrically conducting fluid is transported through the microchannel by the action of an electromagnetic Lorentz force evolved out as a consequence of the interaction between applied electric and magnetic fields. The fluid flow and thermal characteristics of the MHD micropump depend on several factors such as the channel geometry, electromagnetic field strength and electrical property of the conducting fluid. An involved analysis is carried out following the LB technique to understand the significant influences of the aforementioned controlling parameters on the overall transport phenomena. In the LB framework, the hydrodynamics is simulated by a distribution function, which obeys a single scalar kinetic equation associated with an externally imposed electromagnetic force field. The thermal history is monitored by a separate temperature distribution function through another scalar kinetic equation incorporating the Joule heating effect. Agreement with analytical, experimental and other available numerical results is found to be quantitative. PMID:21053082

  6. Lattice Boltzmann simulations of sedimentation of a single fiber in a weak vertical shear flow

    NASA Astrophysics Data System (ADS)

    Qi, Dewei; He, Guowei; Liu, Yingming

    2013-09-01

    Instability of a suspension is directly related to the problem of the cross-stream migration of a particle relative to its neighboring particle suspension. Such cross-stream or lateral migration of a single non-spherical particle (fiber) settling in a bounded weak shear flow with vertical streamlines produced by a perturbation to the fiber number density is studied using lattice Boltzmann simulations. The present simulation results demonstrate that at a given shear rate, the lateral migration can be divided into three phases depending on settling Reynolds number Rsd and particle aspect ratio κ. At a low settling Reynolds number Rsd, the suspension becomes more stable in phase 1. As Rsd increases and excesses a critical settling Reynolds number Rsd1, the fiber suspension becomes unstable in phase 2. In phase 3, at an enough large Rsd, the inertia dominates the weak shear flow and it may have little effect on stability. A mechanism of the instability induced by an inertial fiber orientation drift and a shear induced cross-streamline drift, recently proposed by Shin, Koch, and Subramanian ["Structure and dynamics of dilute suspensions of finite reynolds number settling fibers," Phys. Fluids 21, 123304 (2009)], is examined and confirmed.

  7. Simulation of binary droplet collisions with the entropic lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Mazloomi Moqaddam, Ali; Chikatamarla, Shyam S.; Karlin, Ilya V.

    2016-02-01

    The recently introduced entropic lattice Boltzmann method (ELBM) for multiphase flows is extended here to simulation of droplet collisions. Thermodynamically consistent, non-linearly stable ELBM together with a novel polynomial equation of state is proposed for simulation large Weber and Reynolds number collisions of two droplets. Extensive numerical investigations show that ELBM is capable of accurately capturing the dynamics and complexity of droplet collision. Different types of the collision outcomes such as coalescence, reflexive separation, and stretching separation are identified. Partition of the parameter plane is compared to the experiments and excellent agreement is observed. Moreover, the evolution of the shape of a stable lamella film is quantitatively compared with experimental results. The end pinching and the capillary-wave instability are shown to be the main mechanisms behind formation of satellite droplets for near head-on and off-center collisions with high impact parameter, respectively. It is shown that the number of satellite drops increases with increasing Weber number, as predicted by experiments. Also, it is demonstrated that the rotational motion due to angular momentum and elongation of the merged droplet play essential roles in formation of satellite droplets in off-center collisions with an intermediate impact parameter.

  8. Simulation Study of Micro Particles Behavior in Fluid Flow Using Lattice Boltzmann Method

    NASA Astrophysics Data System (ADS)

    Miyoshi, T.; Yamada, Y.; Matsuoka, T.

    2004-12-01

    Evaluation of underground hydraulic characteristics has been a key issue not only for hydrogeology but for various fields of geo-engineering. We have been investigating hydraulic properties, such as permeability, of fractures and porous rocks using a 3D lattice Boltzmann method (LBM) for recent several years. In this paper, we propose a coupling method of LBM and DEM (distinct element method) to incorporate dynamic interaction of fluid flow and particles. This coupling technique brings new insights into the effect of micro particles in the hydraulic properties, such that migration and sedimentation of solid particles remarkably decreases permeability. We present two simulation examples; I) sedimentation of micro particles by the gravity in dead water, II) behaviour of micro particles in fluid flow through a porous media. In the simulation-I, surface geometry of the particle assembly shows a gentle 'sag' with a subtle subsidence at its center, suggesting that the upward fluid expulsion causes slightly uplifted geometry. Such geometry of particles can be commonly seen in natural sedimentary rocks that deformed due to fluid expulsion at its unconsolidated stages. The simulation-II clearly showed some conditions of pore throat plugging by the micro particles. The fluid flow pattern should be significantly affected by the moving particles, as well as the pressure difference (an input parameter). The percolation distance of solid particles was well controlled with the pressure difference and throat geometries. We concluded that the coupling simulation of LBM and DEM has extremely high potential to investigate the behavior of solid and fluid interactions. The technique can simulate permeability changes precisely, that are affected by dynamic or physical factors such as compaction. Fluid flow simulations with the technique can be directly applied for plugging of solid particles within a reservoir, which is significant for petroleum production and drill-hole completion. The

  9. Permeability of vesicular Stromboli basaltic glass: Lattice Boltzmann simulations and laboratory measurements

    SciTech Connect

    Bai, Liping; Baker, Don R.; Hill, Reghan J.

    2010-09-17

    The permeabilities of vesicular Stromboli basaltic glasses were determined using lattice Boltzmann (LB) simulations and laboratory measurements. Lattice Boltzmann simulations were performed to simulate flow through vesicular Stromboli basaltic glasses with porosities, {phi}, from 5% to 92%. The simulations and measurements provide a power law Darcian permeability-porosity relationship k(Phi) = c ({phi}){sup 5} with c = 2.35 x 10{sup -20} from LB simulations and 5.33 x 10{sup -21} from measurements, where k is in m{sup 2}. These permeabilities of vesiculated basalts are about 1 to 2 orders of magnitude higher than in rhyolitic and dacitic volcanic rocks with the same porosity; this difference is attributed to a higher bubble interconnectivity and larger bubble apertures in our basaltic samples. The Darcian flow permeability k{sub 1} (m{sup 2}) and non-Darcian flow permeability k{sub 2} (m) are highly dependent on bubble size, D, and porosity with k{sub 1} = 7.66 x 10{sup -17}[D{sup 2{phi}3}/(1 - {phi}){sup 2}] and k{sub 2} = 2.78 x 10{sup -9}[D{phi}{sup 3}/(1 - {phi})]. Samples with power law bubble size distributions can produce higher permeabilities than samples with exponential bubble size distributions. The Darcian and non-Darcian flow regimes are delineated, demonstrating that the Darcian flow occurs at the Forchheimer number, Fo, below 0.2-1, and the transitional flow (Forchheimer flow) occurs in the Forchheimer number range 1 to 10. The correlations between friction factor, f{sub k}, and Fo are constrained by the permeability measurements, and are in good agreement with simulations: f{sub k} = (1.11 {+-} 0.17) + [(0.66 {+-} 0.39)/Fo] (measurements) and f{sub k} = (0.59 {+-} 0.49) + [(1.0 {+-} 0.01)/Fo] (LB simulations). Our results show that f{sub k} depends on k{sub 2}, pore size, and pore geometry at small Fo and tends to be a constant at large Fo. The f{sub k} - Fo correlations imply a gradual transition from Darcian to non-Darcian flow, rather than an

  10. Lattice Thermal Conductivity of Ultra High Temperature Ceramics ZrB2 and HfB2 from Atomistic Simulations

    NASA Technical Reports Server (NTRS)

    Lawson, John W.; Murray, Daw S.; Bauschlicher, Charles W., Jr.

    2011-01-01

    Atomistic Green-Kubo simulations are performed to evaluate the lattice thermal conductivity for single crystals of the ultra high temperature ceramics ZrB2 and HfB2 for a range of temperatures. Recently developed interatomic potentials are used for these simulations. Heat current correlation functions show rapid oscillations which can be identified with mixed metal-Boron optical phonon modes. Agreement with available experimental data is good.